data_r5dl9sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-09-16 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5dl9 
_cell.length_a      79.4590 
_cell.length_b      79.4590 
_cell.length_c      37.0420 
_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   0.97857 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.233 
_diffrn_reflns.pdbx_d_res_low    56.186 
_diffrn_reflns.limit_h_max       64 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       40 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       26 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            31900 
_diffrn_reflns.pdbx_number_obs   31891 
# 
_entry.id   5dl9 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5dl9 
_symmetry.space_group_name_H-M   "P 43 21 2" 
_symmetry.Int_Tables_number      96 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"               
2 "-Y+1/2,  X+1/2,  Z+3/4"  
3 "Y+1/2,  -X+1/2,  Z+1/4"  
4 "X+1/2,  -Y+1/2,  -Z+1/4" 
5 "-X+1/2,  Y+1/2,  -Z+3/4" 
6 "-X,  -Y,  Z+1/2"         
7 "Y,  X,  -Z"              
8 "-Y,  -X,  -Z+1/2"        
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.F_calc 
_refln.phase_calc 
_refln.pdbx_HL_A_iso 
_refln.pdbx_HL_B_iso 
_refln.pdbx_HL_C_iso 
_refln.pdbx_HL_D_iso 
1 1 1 0  0  4  o 43.437  0.6084 22.179  -180.0000 -0.28  0.00   0.00   0.00   
1 1 1 0  0  8  o 58.909  0.8013 63.356  -0.0000   -0.10  0.00   0.00   0.00   
1 1 1 0  0  12 o 21.749  0.3707 12.976  -179.9000 0.02   0.00   0.00   0.00   
1 1 1 0  0  16 o 113.202 1.3098 83.498  -0.0000   -0.01  0.00   0.00   0.00   
1 1 1 0  0  20 o 30.578  0.5556 37.359  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 0  0  24 o 18.420  0.4787 20.404  0.0000    0.39   0.00   0.00   0.00   
1 1 1 1  0  1  o 23.214  0.2324 33.042  -135.0000 0.02   0.02   0.00   0.00   
1 1 1 1  0  2  o 45.480  0.3014 21.142  -0.0000   0.27   0.00   0.00   0.00   
1 1 1 1  0  3  o 60.462  0.3952 65.479  -45.0000  0.13   -0.13  0.00   0.00   
1 1 1 1  0  4  o 35.956  0.2705 35.745  -90.0000  0.00   0.06   0.00   0.00   
1 1 1 1  0  5  o 20.337  0.1803 6.7060  44.800    -0.19  -0.19  0.00   0.00   
1 1 1 1  0  6  o 21.522  0.2139 32.648  0.0000    -0.20  0.00   0.00   0.00   
1 1 1 1  0  7  f 28.162  0.2132 6.5073  -44.9000  -0.06  0.06   0.00   0.00   
1 1 1 1  0  8  f 27.432  0.2062 32.326  90.000    0.00   0.15   0.00   0.00   
1 1 1 1  0  9  o 16.661  0.1605 15.944  -134.9000 0.03   0.03   0.00   0.00   
1 1 1 1  0  10 o 48.917  0.3209 50.016  0.0000    0.04   0.00   0.00   0.00   
1 1 1 1  0  11 o 18.349  0.1861 5.5226  -44.8000  -0.01  0.01   0.00   0.00   
1 1 1 1  0  12 o 55.065  0.3590 64.445  90.000    -0.00  -0.31  0.00   0.00   
1 1 1 1  0  13 o 32.133  0.2547 8.6425  -134.7000 0.02   0.02   0.00   0.00   
1 1 1 1  0  14 o 0.0000  1.6125 7.6956  0.4000    0.00   0.00   0.00   0.00   
1 1 1 1  0  15 o 19.147  0.1964 17.194  134.900   0.02   -0.02  0.00   0.00   
1 1 1 1  0  16 o 10.941  0.2063 4.3797  -90.0000  -0.00  -0.11  0.00   0.00   
1 1 1 1  0  17 o 31.859  0.2430 21.365  44.900    -0.03  -0.03  0.00   0.00   
1 1 1 1  0  18 o 33.615  0.2451 31.623  179.900   -0.07  0.00   0.00   0.00   
1 1 1 1  0  19 o 7.4229  0.2602 11.062  134.900   0.01   -0.01  0.00   0.00   
1 1 1 1  0  20 o 31.199  0.2543 33.006  -90.0000  -0.00  -0.04  0.00   0.00   
1 1 1 1  0  21 o 4.5056  0.5413 0.9212  44.900    -0.03  -0.03  0.00   0.00   
1 1 1 1  0  22 o 23.969  0.2661 21.746  -0.0000   0.45   0.00   0.00   0.00   
1 1 1 1  0  23 f 7.0922  0.3681 7.4728  -45.0000  0.13   -0.13  0.00   0.00   
1 1 1 1  0  24 o 4.7434  0.5535 4.2176  -90.0000  0.00   0.14   0.00   0.00   
1 1 1 1  0  25 o 8.2037  0.4060 9.2985  -135.0000 0.01   0.01   0.00   0.00   
1 1 1 1  0  26 o 3.7947  0.9455 4.7627  180.000   0.06   0.00   0.00   0.00   
1 1 1 1  1  1  f 21.545  0.2205 29.089  -90.0000  0.00   0.07   0.00   0.00   
1 1 1 1  1  2  o 64.234  0.3961 47.827  0.0000    0.28   0.00   0.00   0.00   
1 1 1 1  1  3  o 13.914  0.1388 0.7419  -90.0000  -0.00  -0.18  0.00   0.00   
1 1 1 1  1  4  o 18.067  0.1673 1.9127  -179.8000 -0.09  0.00   0.00   0.00   
1 1 1 1  1  5  o 16.031  0.1606 3.7875  -90.7000  0.00   0.18   0.00   0.00   
1 1 1 1  1  6  o 26.188  0.2253 38.455  -0.0000   -0.25  0.00   0.00   0.00   
1 1 1 1  1  7  o 18.300  0.1732 2.5400  90.300    0.00   0.03   0.00   0.00   
1 1 1 1  1  8  o 21.284  0.1794 16.526  0.0000    0.05   0.00   0.00   0.00   
1 1 1 1  1  9  o 75.643  0.4658 77.081  90.000    -0.00  -0.01  0.00   0.00   
1 1 1 1  1  10 o 47.014  0.3012 44.109  0.0000    0.02   0.00   0.00   0.00   
1 1 1 1  1  11 o 7.8804  0.1799 12.483  -90.2000  -0.00  -0.00  0.00   0.00   
1 1 1 1  1  12 o 18.604  0.1810 23.285  180.000   0.05   0.00   0.00   0.00   
1 1 1 1  1  13 f 17.242  0.1751 29.088  90.100    -0.00  -0.12  0.00   0.00   
1 1 1 1  1  14 o 11.773  0.1716 0.8574  0.2000    0.09   0.00   0.00   0.00   
1 1 1 1  1  15 o 29.715  0.2685 32.645  90.100    0.00   0.28   0.00   0.00   
1 1 1 1  1  16 o 28.148  0.2378 20.766  180.000   -0.07  0.00   0.00   0.00   
1 1 1 1  1  17 o 2.9665  0.5820 7.3324  90.300    0.00   0.01   0.00   0.00   
1 1 1 1  1  18 o 25.132  0.2580 22.866  -180.0000 -0.25  0.00   0.00   0.00   
1 1 1 1  1  19 o 7.5166  0.2633 12.695  90.100    0.00   0.03   0.00   0.00   
1 1 1 1  1  20 o 15.083  0.2607 8.2294  180.000   -0.15  0.00   0.00   0.00   
1 1 1 1  1  21 o 13.777  0.2565 16.565  -90.0000  -0.00  -0.50  0.00   0.00   
1 1 1 1  1  22 o 13.682  0.2758 12.065  -0.0000   -0.05  0.00   0.00   0.00   
1 1 1 1  1  23 o 6.1644  0.4240 3.1923  90.000    -0.00  -0.05  0.00   0.00   
1 1 1 1  1  24 o 3.5637  0.6640 4.5198  0.0000    0.05   0.00   0.00   0.00   
1 1 1 1  1  25 o 10.807  0.4012 13.569  90.000    -0.00  -0.02  0.00   0.00   
1 1 1 1  1  26 o 11.756  0.4345 14.016  180.000   0.23   0.00   0.00   0.00   
1 1 1 2  0  1  o 6.4265  0.0996 7.5968  -45.0000  0.00   -0.00  0.00   0.00   
1 1 1 2  0  2  o 20.616  0.1636 25.698  -90.0000  0.00   0.04   0.00   0.00   
1 1 1 2  0  3  o 7.2664  0.1018 14.326  -135.0000 0.01   0.01   0.00   0.00   
1 1 1 2  0  4  o 18.684  0.1697 5.7346  -179.9000 -0.02  0.00   0.00   0.00   
1 1 1 2  0  5  o 48.307  0.3300 42.258  -45.0000  0.30   -0.30  0.00   0.00   
1 1 1 2  0  6  o 14.697  0.1482 0.9556  -87.7000  0.00   0.06   0.00   0.00   
1 1 1 2  0  7  o 12.665  0.1290 29.278  -135.0000 -0.04  -0.04  0.00   0.00   
1 1 1 2  0  8  o 42.045  0.2952 39.908  180.000   -0.01  0.00   0.00   0.00   
1 1 1 2  0  9  o 57.927  0.3628 42.825  135.000   -0.07  0.07   0.00   0.00   
1 1 1 2  0  10 o 80.099  0.5049 73.267  -90.0000  -0.00  -0.00  0.00   0.00   
1 1 1 2  0  11 o 18.865  0.1837 1.4489  -135.5000 0.06   0.06   0.00   0.00   
1 1 1 2  0  12 o 55.214  0.3438 64.930  0.0000    -0.05  0.00   0.00   0.00   
1 1 1 2  0  13 o 29.955  0.2335 37.295  -45.0000  0.07   -0.07  0.00   0.00   
1 1 1 2  0  14 o 4.4045  0.3070 3.1451  -89.3000  0.00   0.01   0.00   0.00   
1 1 1 2  0  15 o 79.528  0.5215 72.642  -135.0000 -0.63  -0.63  0.00   0.00   
1 1 1 2  0  16 o 6.8557  0.2598 5.7975  179.600   -0.02  0.00   0.00   0.00   
1 1 1 2  0  17 o 18.759  0.2317 29.531  135.000   0.02   -0.02  0.00   0.00   
1 1 1 2  0  18 o 7.4297  0.3036 6.7071  -89.9000  -0.00  -0.09  0.00   0.00   
1 1 1 2  0  19 o 25.834  0.2188 24.127  -135.0000 0.04   0.04   0.00   0.00   
1 1 1 2  0  20 o 47.007  0.3421 47.890  0.0000    0.68   0.00   0.00   0.00   
1 1 1 2  0  21 o 13.766  0.2637 11.833  135.000   -0.21  0.21   0.00   0.00   
1 1 1 2  0  22 o 9.9146  0.2937 10.282  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 2  0  23 o 31.510  0.2644 29.295  45.000    0.59   0.59   0.00   0.00   
1 1 1 2  0  24 o 7.4297  0.4378 6.8335  180.000   -0.01  0.00   0.00   0.00   
1 1 1 2  0  25 f 7.4967  0.4343 1.3005  135.000   0.30   -0.30  0.00   0.00   
1 1 1 2  0  26 o 5.5767  0.6035 5.1313  -90.0000  -0.00  -0.03  0.00   0.00   
1 1 1 2  1  1  o 18.882  0.6877 10.452  87.000    1.03   1.30   0.02   -0.20  
1 1 1 2  1  2  o 39.261  0.5894 42.536  -161.6000 -2.17  -1.40  -0.47  -0.53  
1 1 1 2  1  3  o 33.141  0.1696 16.139  -19.0000  -0.17  0.94   0.98   -0.53  
1 1 1 2  1  4  o 38.409  1.1501 29.864  -41.6000  10.15  0.23   -2.86  -0.56  
1 1 1 2  1  5  o 47.954  0.2338 43.355  -0.1000   0.12   0.06   0.01   0.02   
1 1 1 2  1  6  f 35.492  0.7646 44.567  -65.5000  3.26   -2.67  -0.81  1.27   
1 1 1 2  1  7  o 59.317  0.5562 39.468  170.200   -2.08  -0.23  -0.49  0.14   
1 1 1 2  1  8  o 26.073  0.1461 20.770  120.300   -0.68  -0.00  -0.95  -0.46  
1 1 1 2  1  9  o 29.121  0.3947 50.570  74.700    2.55   0.66   -0.78  -0.52  
1 1 1 2  1  10 o 28.741  0.2313 17.367  -92.5000  2.82   -1.58  -1.13  2.29   
1 1 1 2  1  11 o 63.151  0.6211 58.455  130.800   -1.67  4.87   0.87   0.86   
1 1 1 2  1  12 o 25.938  0.1368 15.718  148.900   -0.12  -1.23  1.44   0.04   
1 1 1 2  1  13 o 41.910  0.2041 42.108  179.300   -0.01  1.06   0.88   -0.90  
1 1 1 2  1  14 o 10.199  0.4635 12.187  49.400    2.97   0.31   -0.36  -0.09  
1 1 1 2  1  15 o 24.113  0.3788 29.723  -95.5000  -3.99  -1.31  -1.16  -0.63  
1 1 1 2  1  16 o 24.131  0.1779 21.193  -14.6000  0.62   1.17   0.63   -0.46  
1 1 1 2  1  17 o 19.706  0.2869 15.570  -73.3000  1.93   -2.09  0.23   0.93   
1 1 1 2  1  18 o 9.3871  0.3698 10.968  113.800   1.04   3.89   1.13   -0.79  
1 1 1 2  1  19 o 11.444  0.1669 5.9512  140.400   -0.09  0.00   -0.01  0.04   
1 1 1 2  1  20 f 32.689  0.4441 29.082  150.400   -1.96  0.95   -0.06  0.23   
1 1 1 2  1  21 o 25.796  0.2037 25.763  -20.1000  1.27   -1.12  0.58   0.34   
1 1 1 2  1  22 o 15.505  0.1744 14.247  157.200   0.53   0.93   0.43   -0.06  
1 1 1 2  1  23 o 11.602  0.2116 10.627  -96.1000  -0.39  -0.38  0.23   -0.03  
1 1 1 2  1  24 o 5.7637  0.3645 5.5628  -23.1000  0.36   0.60   0.20   -0.05  
1 1 1 2  1  25 o 3.7518  0.6857 4.6451  122.000   -0.53  0.61   0.04   0.07   
1 1 1 2  1  26 o 6.2875  1.3542 5.6936  -73.5000  0.32   -1.69  0.08   0.09   
1 1 1 2  2  0  o 37.334  0.5633 28.252  -0.0000   -0.07  0.00   0.00   0.00   
1 1 1 2  2  1  o 64.311  0.5389 63.176  -90.0000  0.00   0.19   0.00   0.00   
1 1 1 2  2  2  o 64.794  0.4285 67.754  0.0000    0.15   0.00   0.00   0.00   
1 1 1 2  2  3  o 84.753  0.5189 82.036  90.000    0.00   0.08   0.00   0.00   
1 1 1 2  2  4  o 9.5237  0.1141 12.967  -0.0000   -0.02  0.00   0.00   0.00   
1 1 1 2  2  5  o 12.369  0.1320 12.803  90.000    -0.00  -0.17  0.00   0.00   
1 1 1 2  2  6  f 29.975  0.2350 31.538  0.0000    0.18   0.00   0.00   0.00   
1 1 1 2  2  7  o 36.897  0.2891 28.504  -89.9000  -0.00  -0.01  0.00   0.00   
1 1 1 2  2  8  o 18.716  0.1721 32.681  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 2  2  9  o 6.5422  0.1494 6.9084  89.900    0.00   0.01   0.00   0.00   
1 1 1 2  2  10 o 50.739  0.3698 43.101  180.000   -0.31  0.00   0.00   0.00   
1 1 1 2  2  11 o 121.081 0.6963 124.287 90.000    -0.00  -0.16  0.00   0.00   
1 1 1 2  2  12 o 17.038  0.1858 26.415  -179.9000 -0.07  0.00   0.00   0.00   
1 1 1 2  2  13 o 27.382  0.2551 35.661  90.000    0.00   0.13   0.00   0.00   
1 1 1 2  2  14 o 56.273  0.3663 59.882  -0.0000   -0.06  0.00   0.00   0.00   
1 1 1 2  2  15 f 23.043  0.2171 25.411  -89.9000  0.00   0.11   0.00   0.00   
1 1 1 2  2  16 o 5.4037  0.2894 3.1615  -0.7000   0.04   0.00   0.00   0.00   
1 1 1 2  2  17 o 31.664  0.2507 43.680  -90.0000  -0.00  -0.20  0.00   0.00   
1 1 1 2  2  18 o 19.393  0.2268 17.268  -180.0000 0.15   0.00   0.00   0.00   
1 1 1 2  2  19 f 42.881  0.3079 41.738  90.000    -0.00  -0.33  0.00   0.00   
1 1 1 2  2  20 o 17.346  0.2276 17.537  -180.0000 -0.15  0.00   0.00   0.00   
1 1 1 2  2  21 o 10.045  0.2666 5.1577  90.000    0.00   0.06   0.00   0.00   
1 1 1 2  2  22 o 4.4721  0.5268 2.9193  0.0000    0.13   0.00   0.00   0.00   
1 1 1 2  2  23 o 8.9610  0.3333 6.6075  -90.0000  -0.00  -0.08  0.00   0.00   
1 1 1 2  2  24 o 12.161  0.2655 13.596  -180.0000 -0.18  0.00   0.00   0.00   
1 1 1 2  2  25 o 11.688  0.3043 11.231  -90.0000  -0.00  -0.11  0.00   0.00   
1 1 1 2  2  26 o 13.183  0.5213 16.570  -0.0000   0.59   0.00   0.00   0.00   
1 1 1 3  0  1  o 13.646  0.1271 26.936  -135.0000 -0.08  -0.08  0.00   0.00   
1 1 1 3  0  2  o 5.0398  0.0685 0.6735  -0.0000   -0.03  0.00   0.00   0.00   
1 1 1 3  0  3  o 58.927  0.3785 31.320  -45.0000  0.23   -0.23  0.00   0.00   
1 1 1 3  0  4  o 10.658  0.1206 11.259  90.000    0.00   0.01   0.00   0.00   
1 1 1 3  0  5  o 27.503  0.2129 27.167  45.000    0.09   0.09   0.00   0.00   
1 1 1 3  0  6  o 45.081  0.3183 56.181  180.000   0.35   0.00   0.00   0.00   
1 1 1 3  0  7  o 104.844 0.6248 84.706  135.000   -0.81  0.81   0.00   0.00   
1 1 1 3  0  8  o 24.417  0.2011 30.684  -90.0000  -0.00  -0.01  0.00   0.00   
1 1 1 3  0  9  o 43.917  0.2997 32.537  -135.1000 0.06   0.06   0.00   0.00   
1 1 1 3  0  10 o 20.413  0.1989 16.879  180.000   -0.02  0.00   0.00   0.00   
1 1 1 3  0  11 o 10.440  0.1696 36.289  135.000   -0.01  0.01   0.00   0.00   
1 1 1 3  0  12 o 63.203  0.3845 63.396  -90.0000  -0.00  -0.06  0.00   0.00   
1 1 1 3  0  13 o 14.440  0.1779 28.026  -135.1000 -0.05  -0.05  0.00   0.00   
1 1 1 3  0  14 o 35.423  0.2648 34.865  -0.0000   -0.00  0.00   0.00   0.00   
1 1 1 3  0  15 o 23.124  0.2693 10.994  -45.1000  0.10   -0.10  0.00   0.00   
1 1 1 3  0  16 o 41.815  0.2838 45.346  -90.0000  -0.00  -0.07  0.00   0.00   
1 1 1 3  0  17 o 12.202  0.2094 7.4327  -135.2000 -0.02  -0.02  0.00   0.00   
1 1 1 3  0  18 o 4.0866  0.4494 1.1873  -179.8000 0.03   0.00   0.00   0.00   
1 1 1 3  0  19 o 9.6488  0.2622 7.8147  -45.1000  -0.04  0.04   0.00   0.00   
1 1 1 3  0  20 o 22.733  0.2502 22.013  -90.0000  -0.00  -0.03  0.00   0.00   
1 1 1 3  0  21 o 6.1563  0.4245 8.8533  45.000    0.06   0.06   0.00   0.00   
1 1 1 3  0  22 f 19.642  0.2339 16.844  -180.0000 -0.36  0.00   0.00   0.00   
1 1 1 3  0  23 o 18.240  0.2754 16.284  135.000   -0.10  0.10   0.00   0.00   
1 1 1 3  0  24 o 7.5829  0.4181 5.6893  -90.0000  -0.00  -0.26  0.00   0.00   
1 1 1 3  0  25 o 11.113  0.3573 8.5670  -135.0000 -0.44  -0.44  0.00   0.00   
1 1 1 3  0  26 o 7.5498  0.6780 6.3712  0.0000    0.13   0.00   0.00   0.00   
1 1 1 3  1  1  o 30.600  0.4112 24.336  164.500   -1.68  0.89   -0.21  0.73   
1 1 1 3  1  2  o 21.236  0.1157 27.539  158.500   -0.35  0.03   -0.21  0.36   
1 1 1 3  1  3  o 18.804  0.1101 16.443  97.700    0.13   -0.04  0.12   0.18   
1 1 1 3  1  4  o 18.828  0.1587 21.293  -83.4000  0.30   -0.51  0.01   0.46   
1 1 1 3  1  5  o 54.099  0.2570 31.070  -86.0000  -0.17  0.14   0.03   -0.01  
1 1 1 3  1  6  o 17.004  0.1973 15.041  61.400    0.52   0.05   -0.21  0.03   
1 1 1 3  1  7  o 31.192  0.2124 49.800  -66.1000  -0.91  -0.77  0.40   -0.88  
1 1 1 3  1  8  o 78.189  1.5351 58.236  133.900   -4.38  2.50   -0.23  0.30   
1 1 1 3  1  9  o 22.505  0.6520 22.329  56.800    5.94   5.29   -0.45  -2.97  
1 1 1 3  1  10 o 35.211  0.1926 37.725  133.000   -0.35  1.14   0.38   0.34   
1 1 1 3  1  11 o 77.685  1.1538 73.530  137.300   -5.19  0.98   -0.40  0.20   
1 1 1 3  1  12 o 11.424  0.1222 7.6516  68.600    -0.30  0.12   -0.50  0.22   
1 1 1 3  1  13 f 46.160  0.5036 48.241  -76.7000  -4.24  -7.36  1.25   -3.68  
1 1 1 3  1  14 o 45.516  0.2208 50.003  -79.8000  2.49   0.06   -1.67  -1.06  
1 1 1 3  1  15 o 37.822  0.1968 39.533  125.700   0.59   0.75   0.26   -0.26  
1 1 1 3  1  16 o 56.864  0.2622 58.711  -95.5000  0.06   -0.63  -0.61  0.32   
1 1 1 3  1  17 o 13.810  0.3062 14.242  18.600    0.55   -0.50  -0.01  0.06   
1 1 1 3  1  18 o 14.433  0.7012 12.429  -44.6000  0.54   -5.60  0.59   0.16   
1 1 1 3  1  19 o 42.083  0.2311 37.424  108.200   1.75   1.79   -1.13  -0.67  
1 1 1 3  1  20 o 11.962  0.1785 9.0843  6.8000    0.15   0.22   -0.05  -0.09  
1 1 1 3  1  21 o 26.712  0.4876 24.600  -151.2000 -1.44  -4.14  1.03   -0.12  
1 1 1 3  1  22 o 1.9494  0.5833 3.7487  129.900   -0.04  -0.05  -0.06  0.07   
1 1 1 3  1  23 o 20.084  0.1707 22.403  -75.9000  -0.35  -0.99  -0.62  0.31   
1 1 1 3  1  24 o 7.2106  0.4991 5.5248  -104.7000 1.12   1.15   -0.05  -0.16  
1 1 1 3  1  25 o 8.6224  0.2764 8.9304  -128.0000 -0.50  -0.36  0.06   -0.08  
1 1 1 3  1  26 o 9.2311  0.3804 8.5285  -168.9000 0.03   0.16   -0.00  -0.00  
1 1 1 3  2  0  o 25.102  0.2113 1.4015  180.000   -0.21  0.00   0.00   0.00   
1 1 1 3  2  1  o 47.492  0.6024 33.212  -31.8000  3.94   1.21   -1.02  -1.47  
1 1 1 3  2  2  o 61.065  0.8155 45.023  -162.3000 -0.46  0.35   0.00   0.02   
1 1 1 3  2  3  o 64.832  0.6999 59.979  -151.8000 -0.92  -0.48  -0.01  -0.09  
1 1 1 3  2  4  f 57.221  0.7010 55.889  97.100    0.07   2.56   0.51   0.18   
1 1 1 3  2  5  f 26.911  0.4266 36.031  21.300    1.09   0.81   -0.34  -0.33  
1 1 1 3  2  6  o 25.568  0.3176 43.255  111.100   -1.44  -0.40  -0.44  -0.53  
1 1 1 3  2  7  o 67.465  0.3072 73.926  -22.0000  0.53   -0.34  0.24   0.12   
1 1 1 3  2  8  o 52.100  0.3482 53.338  -9.0000   0.56   -1.82  0.80   0.24   
1 1 1 3  2  9  o 45.607  0.2978 57.331  172.900   -0.31  -0.77  0.15   -0.10  
1 1 1 3  2  10 o 86.651  0.3627 76.489  110.700   -1.39  0.36   -2.42  -1.07  
1 1 1 3  2  11 o 17.577  0.4342 34.334  67.000    0.97   1.42   0.05   -0.15  
1 1 1 3  2  12 o 37.314  0.6658 39.479  92.500    3.12   10.31  2.54   -2.06  
1 1 1 3  2  13 o 31.140  0.1652 48.181  98.600    0.37   0.07   -0.11  0.01   
1 1 1 3  2  14 o 33.091  0.5653 34.427  -75.4000  -8.09  -2.61  -2.14  -1.21  
1 1 1 3  2  15 o 27.435  0.4131 24.560  68.300    3.77   0.82   -0.96  -0.28  
1 1 1 3  2  16 o 37.271  0.1890 32.583  87.600    -0.14  -0.48  0.05   -0.19  
1 1 1 3  2  17 o 18.877  0.1689 20.063  -83.8000  0.06   -0.80  0.22   -0.03  
1 1 1 3  2  18 o 19.512  0.2697 20.274  -63.1000  4.32   -1.24  -2.69  0.85   
1 1 1 3  2  19 o 28.187  0.3665 30.634  -134.7000 -1.35  0.56   -0.07  0.17   
1 1 1 3  2  20 o 21.838  0.2470 18.416  89.000    1.25   -0.24  -0.23  -0.02  
1 1 1 3  2  21 o 16.667  0.6185 19.253  -175.3000 -3.73  -0.72  -0.49  -0.06  
1 1 1 3  2  22 o 19.259  0.2773 17.636  118.000   2.35   2.09   -0.97  -0.99  
1 1 1 3  2  23 o 8.1182  0.2616 9.3900  -142.8000 -0.50  -0.15  -0.22  0.32   
1 1 1 3  2  24 o 10.364  0.2064 9.3931  17.100    -0.55  0.70   -0.38  0.24   
1 1 1 3  2  25 o 3.6684  0.4945 2.7267  -42.9000  -0.05  -0.20  0.01   -0.01  
1 1 1 3  2  26 o 14.698  0.4821 15.019  125.800   -2.80  2.61   -1.01  0.26   
1 1 1 3  3  0  o 33.592  0.4422 21.908  -0.0000   0.00   0.00   0.00   0.00   
1 1 1 3  3  1  o 17.289  0.1463 11.397  90.000    0.00   0.11   0.00   0.00   
1 1 1 3  3  2  o 21.564  0.1771 0.5644  -180.0000 -0.22  0.00   0.00   0.00   
1 1 1 3  3  3  o 69.782  0.4365 93.679  -90.0000  0.00   0.09   0.00   0.00   
1 1 1 3  3  4  o 29.567  0.2282 42.153  -179.9000 -0.16  0.00   0.00   0.00   
1 1 1 3  3  5  o 16.793  0.1709 7.9034  90.200    -0.00  -0.23  0.00   0.00   
1 1 1 3  3  6  o 19.807  0.1826 0.4697  0.2000    0.18   0.00   0.00   0.00   
1 1 1 3  3  7  o 24.767  0.2042 40.041  -90.0000  0.00   0.07   0.00   0.00   
1 1 1 3  3  8  o 20.763  0.1743 23.063  -179.9000 0.01   0.00   0.00   0.00   
1 1 1 3  3  9  f 69.611  0.4297 57.576  -90.0000  -0.00  -0.04  0.00   0.00   
1 1 1 3  3  10 o 72.503  0.4721 69.924  180.000   0.17   0.00   0.00   0.00   
1 1 1 3  3  11 o 15.818  0.1596 19.113  -90.0000  0.00   0.04   0.00   0.00   
1 1 1 3  3  12 o 30.694  0.2248 63.308  -180.0000 0.11   0.00   0.00   0.00   
1 1 1 3  3  13 o 62.617  0.3959 59.933  90.100    0.00   0.17   0.00   0.00   
1 1 1 3  3  14 o 13.270  0.1858 18.618  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 3  3  15 o 19.344  0.2274 3.4630  90.300    -0.00  -0.11  0.00   0.00   
1 1 1 3  3  16 o 30.563  0.2354 40.137  -0.1000   -0.10  0.00   0.00   0.00   
1 1 1 3  3  17 o 22.311  0.2087 30.544  90.100    0.00   0.18   0.00   0.00   
1 1 1 3  3  18 o 14.846  0.2158 6.7758  180.000   -0.06  0.00   0.00   0.00   
1 1 1 3  3  19 o 11.954  0.2338 10.690  -90.0000  -0.00  -0.17  0.00   0.00   
1 1 1 3  3  20 o 37.676  0.2871 37.504  -180.0000 -0.45  0.00   0.00   0.00   
1 1 1 3  3  21 o 12.775  0.2457 11.364  -90.0000  -0.00  -0.11  0.00   0.00   
1 1 1 3  3  22 o 11.375  0.3039 9.9163  180.000   -0.18  0.00   0.00   0.00   
1 1 1 3  3  23 o 2.6833  0.7257 2.5881  -90.0000  0.00   0.06   0.00   0.00   
1 1 1 3  3  24 o 1.7889  1.0596 2.0253  0.0000    0.00   0.00   0.00   0.00   
1 1 1 3  3  25 o 4.2661  0.7224 2.9845  90.000    0.00   0.01   0.00   0.00   
1 1 1 3  3  26 o 3.5777  0.8933 2.8402  180.000   -0.05  0.00   0.00   0.00   
1 1 1 4  0  1  o 37.896  0.2582 44.341  135.000   -0.02  0.02   0.00   0.00   
1 1 1 4  0  2  f 58.036  0.3647 65.995  -90.0000  0.00   0.46   0.00   0.00   
1 1 1 4  0  3  o 44.461  0.3093 51.208  -135.0000 0.17   0.17   0.00   0.00   
1 1 1 4  0  4  o 18.325  0.1649 30.128  -179.9000 0.18   0.00   0.00   0.00   
1 1 1 4  0  5  o 25.207  0.2066 22.733  -45.1000  0.13   -0.13  0.00   0.00   
1 1 1 4  0  6  o 49.495  0.3451 59.767  90.000    0.00   0.09   0.00   0.00   
1 1 1 4  0  7  o 37.210  0.2774 33.271  45.000    0.08   0.08   0.00   0.00   
1 1 1 4  0  8  o 42.900  0.3009 33.388  -0.1000   0.15   0.00   0.00   0.00   
1 1 1 4  0  9  o 59.101  0.3799 91.905  -45.0000  -0.05  0.05   0.00   0.00   
1 1 1 4  0  10 o 9.7365  0.1666 6.4973  -90.3000  -0.00  -0.02  0.00   0.00   
1 1 1 4  0  11 o 93.526  0.5469 69.555  -135.0000 -0.24  -0.24  0.00   0.00   
1 1 1 4  0  12 o 12.880  0.1572 26.787  -0.1000   -0.02  0.00   0.00   0.00   
1 1 1 4  0  13 o 14.816  0.1965 5.2371  -45.2000  0.07   -0.07  0.00   0.00   
1 1 1 4  0  14 o 15.508  0.1785 26.547  90.000    0.00   0.03   0.00   0.00   
1 1 1 4  0  15 o 29.187  0.2295 22.353  -134.9000 0.07   0.07   0.00   0.00   
1 1 1 4  0  16 o 13.027  0.1966 7.8213  -179.6000 0.01   0.00   0.00   0.00   
1 1 1 4  0  17 o 13.285  0.2002 11.001  135.100   -0.08  0.08   0.00   0.00   
1 1 1 4  0  18 o 10.325  0.2551 6.2359  89.800    0.00   0.07   0.00   0.00   
1 1 1 4  0  19 o 13.957  0.2498 10.689  -134.9000 -0.00  -0.00  0.00   0.00   
1 1 1 4  0  20 o 3.4496  0.5447 3.4502  -179.8000 -0.03  0.00   0.00   0.00   
1 1 1 4  0  21 o 4.9497  0.4263 6.4965  -45.0000  -0.00  0.00   0.00   0.00   
1 1 1 4  0  22 o 9.2520  0.3135 5.2045  -90.0000  -0.00  -0.14  0.00   0.00   
1 1 1 4  0  23 o 33.156  0.2722 30.019  45.000    0.35   0.35   0.00   0.00   
1 1 1 4  0  24 o 2.8461  0.7551 1.4551  180.000   -0.00  0.00   0.00   0.00   
1 1 1 4  0  25 o 9.4446  0.3618 9.3573  135.000   -0.12  0.12   0.00   0.00   
1 1 1 4  0  26 o 7.8038  0.6865 7.8298  90.000    0.00   0.00   0.00   0.00   
1 1 1 4  1  0  o 6.2690  0.1783 5.9355  -0.0000   -0.02  0.00   0.00   0.00   
1 1 1 4  1  1  o 19.999  1.0097 25.600  67.600    -4.86  6.32   0.37   2.06   
1 1 1 4  1  2  o 73.778  0.3254 83.063  -70.7000  0.05   -0.34  -0.13  0.01   
1 1 1 4  1  3  o 38.368  0.2053 41.068  150.800   1.36   0.32   -0.46  -1.43  
1 1 1 4  1  4  o 31.762  1.2394 31.571  -32.3000  8.37   0.49   -2.23  0.20   
1 1 1 4  1  5  o 28.633  0.9572 31.449  -160.3000 -3.27  -0.40  -0.51  -0.27  
1 1 1 4  1  6  o 45.270  0.6809 51.186  -7.9000   0.69   1.37   0.14   -0.10  
1 1 1 4  1  7  o 60.207  0.2814 53.229  14.500    -0.11  0.21   -0.09  -0.03  
1 1 1 4  1  8  o 13.519  0.3166 12.055  132.000   0.15   0.23   0.01   -0.02  
1 1 1 4  1  9  o 81.355  1.6340 66.274  144.500   -11.78 5.89   -1.14  1.83   
1 1 1 4  1  10 o 87.069  0.4333 78.482  -85.8000  0.19   -1.07  0.13   0.10   
1 1 1 4  1  11 o 67.237  0.2950 88.598  -60.1000  -0.20  -0.33  0.48   0.04   
1 1 1 4  1  12 o 35.053  0.5814 33.774  -39.2000  7.28   -1.03  -2.00  0.36   
1 1 1 4  1  13 o 38.902  0.4293 38.510  -26.2000  1.68   -3.65  0.83   0.68   
1 1 1 4  1  14 o 42.681  0.3436 48.092  -104.9000 1.38   -2.45  0.82   0.61   
1 1 1 4  1  15 o 17.680  0.5795 11.828  171.100   -12.36 0.40   -4.95  0.65   
1 1 1 4  1  16 o 39.547  0.2847 40.646  -123.5000 0.29   0.63   0.02   -0.06  
1 1 1 4  1  17 o 29.329  0.1593 29.038  -94.8000  -0.58  -0.18  -0.61  0.32   
1 1 1 4  1  18 f 13.351  0.1637 8.9873  149.700   -1.02  0.64   -0.09  0.52   
1 1 1 4  1  19 o 32.412  0.4326 33.593  10.900    7.32   2.01   -3.78  -0.47  
1 1 1 4  1  20 o 17.082  0.1656 15.807  36.900    0.61   0.78   0.44   -0.30  
1 1 1 4  1  21 o 7.5409  0.3739 4.7235  133.500   -2.58  -0.63  -0.63  -0.58  
1 1 1 4  1  22 o 11.510  0.3283 12.695  -60.0000  -0.75  -0.30  -0.03  -0.07  
1 1 1 4  1  23 f 11.545  0.2592 4.7561  64.400    0.89   1.01   -0.25  -0.34  
1 1 1 4  1  24 o 7.2940  0.4551 7.2834  35.200    -0.10  -0.07  -0.00  -0.00  
1 1 1 4  1  25 o 9.2302  0.6329 9.3562  29.300    2.03   -1.19  -0.03  0.23   
1 1 1 4  1  26 o 5.4717  0.5158 3.7935  -148.2000 0.03   -0.00  0.00   0.00   
1 1 1 4  2  0  o 3.2711  0.1037 1.4960  0.0000    -0.00  0.00   0.00   0.00   
1 1 1 4  2  1  o 48.859  0.6601 47.532  71.600    2.09   -0.73  -0.41  0.14   
1 1 1 4  2  2  o 80.997  0.9333 85.596  -7.4000   5.77   -0.99  -1.82  -0.30  
1 1 1 4  2  3  o 65.164  0.5991 58.656  -179.2000 -1.20  -3.38  0.48   -1.37  
1 1 1 4  2  4  o 23.520  0.7881 6.4686  -115.7000 -1.50  -0.09  -0.16  -0.06  
1 1 1 4  2  5  o 46.134  1.5744 43.013  -137.2000 -11.11 8.51   -2.01  3.58   
1 1 1 4  2  6  o 32.055  0.1936 23.253  -44.6000  0.02   -0.61  0.24   -0.17  
1 1 1 4  2  7  o 37.099  0.1993 40.061  -102.2000 0.80   0.12   -0.60  0.50   
1 1 1 4  2  8  o 79.912  0.3505 68.599  19.800    -0.09  -0.29  -0.26  0.17   
1 1 1 4  2  9  o 35.257  0.2882 18.416  72.500    1.62   -0.47  -0.68  0.31   
1 1 1 4  2  10 o 24.988  0.5219 8.6147  -1.2000   6.14   7.38   0.62   -4.09  
1 1 1 4  2  11 o 51.615  0.2337 47.487  168.500   -0.84  -0.19  -0.53  -0.04  
1 1 1 4  2  12 o 50.235  0.2268 44.362  -118.0000 -0.94  -0.27  -0.20  -0.41  
1 1 1 4  2  13 o 29.717  1.0775 21.230  -55.2000  8.39   -10.74 0.33   1.64   
1 1 1 4  2  14 o 25.401  0.2283 25.272  126.000   -1.46  -0.05  -0.53  0.12   
1 1 1 4  2  15 o 32.138  0.1754 19.920  22.300    -0.25  0.08   0.12   -0.50  
1 1 1 4  2  16 o 22.422  0.2967 24.086  -178.4000 -3.08  -3.73  0.12   -2.32  
1 1 1 4  2  17 o 30.848  0.2454 33.493  -20.4000  2.15   0.53   -0.84  -0.12  
1 1 1 4  2  18 o 7.1103  0.2428 5.4793  63.800    -1.97  0.61   -0.77  0.40   
1 1 1 4  2  19 o 20.277  0.1572 17.036  -137.3000 -0.06  0.06   0.02   -0.01  
1 1 1 4  2  20 o 18.668  0.1582 17.498  173.400   0.23   -1.11  0.12   1.24   
1 1 1 4  2  21 o 18.182  0.1738 19.324  52.500    -0.56  0.39   0.10   0.14   
1 1 1 4  2  22 o 5.0352  0.3601 6.6796  28.800    0.15   0.20   0.00   0.57   
1 1 1 4  2  23 o 11.729  0.2105 8.6102  -53.3000  0.21   -0.28  -0.15  -0.09  
1 1 1 4  2  24 o 23.785  0.3948 23.636  29.600    2.81   0.62   -0.43  0.18   
1 1 1 4  2  25 o 5.0602  0.4637 4.7650  -40.6000  0.12   0.10   0.01   -0.01  
1 1 1 4  2  26 o 6.0032  0.4628 5.6755  82.900    0.05   -0.13  -0.00  0.00   
1 1 1 4  3  1  f 73.341  2.1087 63.983  -35.4000  4.11   -2.10  -0.24  0.19   
1 1 1 4  3  2  o 81.154  0.3541 79.507  7.9000    -0.96  -0.60  0.62   -0.19  
1 1 1 4  3  3  o 57.993  0.6182 57.134  -142.9000 -4.08  4.18   -1.48  3.23   
1 1 1 4  3  4  o 29.042  0.9744 16.747  167.800   -6.36  2.11   -1.47  1.77   
1 1 1 4  3  5  o 38.622  0.3480 31.474  -148.7000 0.57   -0.51  0.14   0.15   
1 1 1 4  3  6  o 26.050  0.3735 15.488  115.300   2.37   3.18   1.93   -2.97  
1 1 1 4  3  7  o 26.627  0.5958 29.385  94.800    -2.45  1.21   -0.30  0.58   
1 1 1 4  3  8  o 74.667  0.3285 81.401  62.800    0.41   0.11   -0.13  0.40   
1 1 1 4  3  9  o 36.178  0.1956 51.466  164.000   0.15   0.20   0.02   -0.04  
1 1 1 4  3  10 o 55.625  0.8003 53.391  -113.2000 -2.60  -6.22  0.91   -0.80  
1 1 1 4  3  11 o 74.907  1.0038 70.416  161.600   -5.34  13.60  3.50   2.62   
1 1 1 4  3  12 o 55.622  0.6784 65.679  78.000    4.74   0.22   -0.77  0.06   
1 1 1 4  3  13 o 24.493  0.1440 17.502  -6.3000   -0.42  1.31   0.60   0.74   
1 1 1 4  3  14 o 40.163  0.2099 37.392  113.600   -0.13  0.34   -0.32  -0.43  
1 1 1 4  3  15 o 21.317  0.9350 19.245  108.000   -12.61 8.98   -1.05  2.63   
1 1 1 4  3  16 o 13.404  0.2347 7.7851  97.100    -0.77  -0.76  -0.02  -0.19  
1 1 1 4  3  17 o 34.443  0.8189 30.025  133.500   -4.39  9.68   1.39   1.25   
1 1 1 4  3  18 o 25.280  0.1711 24.001  32.200    0.73   0.94   0.42   -0.39  
1 1 1 4  3  19 o 28.193  0.1638 27.586  22.400    0.28   0.32   -0.08  0.41   
1 1 1 4  3  20 o 23.832  0.1764 22.170  8.7000    -0.12  0.28   0.03   -0.15  
1 1 1 4  3  21 o 25.008  0.2626 23.417  179.500   -1.02  0.31   -0.01  0.18   
1 1 1 4  3  22 o 22.597  0.1862 20.084  -44.4000  -0.19  -0.16  0.01   -0.01  
1 1 1 4  3  23 o 13.580  0.3257 14.155  -31.2000  0.33   -0.20  -0.02  0.01   
1 1 1 4  3  24 f 7.8721  0.3066 7.5115  75.400    0.38   -0.07  -0.02  0.03   
1 1 1 4  3  25 o 7.7496  0.2880 7.4515  164.300   -0.61  -0.09  -0.00  -0.17  
1 1 1 4  3  26 o 10.474  0.4960 9.9822  61.500    -0.45  -0.32  -0.03  0.05   
1 1 1 4  4  1  o 20.137  0.1821 32.598  -90.0000  0.00   0.10   0.00   0.00   
1 1 1 4  4  2  o 15.849  0.1376 36.941  180.000   0.05   0.00   0.00   0.00   
1 1 1 4  4  3  f 19.000  0.1721 16.045  90.000    -0.00  -0.25  0.00   0.00   
1 1 1 4  4  4  o 22.930  0.1860 46.246  -0.0000   0.04   0.00   0.00   0.00   
1 1 1 4  4  5  o 64.084  0.4263 48.184  -90.0000  0.00   1.15   0.00   0.00   
1 1 1 4  4  6  o 17.618  0.1687 5.2173  179.700   -0.05  0.00   0.00   0.00   
1 1 1 4  4  7  o 16.760  0.1830 10.419  90.000    0.00   0.06   0.00   0.00   
1 1 1 4  4  8  o 13.180  0.1426 10.284  -179.9000 -0.01  0.00   0.00   0.00   
1 1 1 4  4  9  o 36.962  0.2899 21.587  90.000    -0.00  -0.11  0.00   0.00   
1 1 1 4  4  10 o 7.2870  0.1807 26.438  0.1000    0.01   0.00   0.00   0.00   
1 1 1 4  4  11 o 117.732 0.6794 122.400 -90.0000  -0.00  -0.02  0.00   0.00   
1 1 1 4  4  12 o 12.313  0.1722 21.592  -179.9000 -0.05  0.00   0.00   0.00   
1 1 1 4  4  13 o 32.970  0.2513 36.593  -90.0000  0.00   0.13   0.00   0.00   
1 1 1 4  4  14 o 9.0000  0.2169 3.2155  0.5000    0.01   0.00   0.00   0.00   
1 1 1 4  4  15 f 6.7823  0.2212 22.238  89.900    -0.00  -0.01  0.00   0.00   
1 1 1 4  4  16 o 29.264  0.2641 23.819  -179.9000 -0.25  0.00   0.00   0.00   
1 1 1 4  4  17 o 60.321  0.3953 57.006  90.000    0.00   0.04   0.00   0.00   
1 1 1 4  4  18 o 25.673  0.2812 21.560  0.0000    -0.08  0.00   0.00   0.00   
1 1 1 4  4  19 o 5.1088  0.3815 3.1713  -89.5000  0.00   0.03   0.00   0.00   
1 1 1 4  4  20 o 34.208  0.2913 38.199  -0.0000   1.48   0.00   0.00   0.00   
1 1 1 4  4  21 o 2.5495  0.7355 4.8322  -90.0000  -0.00  -0.02  0.00   0.00   
1 1 1 4  4  22 o 13.065  0.2809 11.134  180.000   0.01   0.00   0.00   0.00   
1 1 1 4  4  23 o 5.7533  0.4723 8.3373  -90.0000  -0.00  -0.25  0.00   0.00   
1 1 1 4  4  24 o 16.477  0.2892 18.190  0.0000    0.06   0.00   0.00   0.00   
1 1 1 4  4  25 o 6.4885  0.4729 5.7789  90.000    0.00   0.31   0.00   0.00   
1 1 1 4  4  26 o 13.480  0.4137 15.871  180.000   -0.47  0.00   0.00   0.00   
1 1 1 5  0  1  o 60.664  0.3662 37.305  -135.0000 0.32   0.32   0.00   0.00   
1 1 1 5  0  2  o 36.904  0.2490 15.298  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 5  0  3  o 25.817  0.1999 20.488  -45.0000  0.00   -0.00  0.00   0.00   
1 1 1 5  0  4  o 51.978  0.3469 47.703  -90.0000  -0.00  -0.87  0.00   0.00   
1 1 1 5  0  5  o 44.614  0.3260 53.475  -134.9000 0.12   0.12   0.00   0.00   
1 1 1 5  0  6  o 20.140  0.1845 6.5329  -0.1000   0.22   0.00   0.00   0.00   
1 1 1 5  0  7  o 15.805  0.1473 20.401  -45.0000  0.04   -0.04  0.00   0.00   
1 1 1 5  0  8  o 63.332  0.4071 67.318  90.000    0.00   0.03   0.00   0.00   
1 1 1 5  0  9  o 96.628  0.5776 109.693 -135.0000 -0.30  -0.30  0.00   0.00   
1 1 1 5  0  10 o 77.824  0.4795 74.782  -180.0000 -0.12  0.00   0.00   0.00   
1 1 1 5  0  11 o 7.8677  0.1741 5.2508  -44.9000  0.00   -0.00  0.00   0.00   
1 1 1 5  0  12 o 38.256  0.2699 47.098  90.000    -0.00  -0.05  0.00   0.00   
1 1 1 5  0  13 o 33.851  0.2871 37.253  -134.9000 0.20   0.20   0.00   0.00   
1 1 1 5  0  14 o 36.318  0.2719 33.336  -0.0000   0.01   0.00   0.00   0.00   
1 1 1 5  0  15 o 11.730  0.2011 19.535  134.900   0.01   -0.01  0.00   0.00   
1 1 1 5  0  16 o 55.279  0.3577 62.903  90.000    0.00   0.55   0.00   0.00   
1 1 1 5  0  17 o 6.3325  0.3155 1.8697  -134.2000 -0.03  -0.03  0.00   0.00   
1 1 1 5  0  18 o 18.625  0.2751 10.969  -0.1000   0.14   0.00   0.00   0.00   
1 1 1 5  0  19 o 19.796  0.2149 21.587  134.900   -0.04  0.04   0.00   0.00   
1 1 1 5  0  20 o 23.870  0.2467 19.964  -90.0000  0.00   0.40   0.00   0.00   
1 1 1 5  0  21 o 10.455  0.2748 10.226  45.000    -0.05  -0.05  0.00   0.00   
1 1 1 5  0  22 o 11.528  0.2753 8.0505  0.0000    -0.17  0.00   0.00   0.00   
1 1 1 5  0  23 o 7.1903  0.4074 8.1723  135.000   -0.03  0.03   0.00   0.00   
1 1 1 5  0  24 o 3.1145  0.7662 1.3864  -90.0000  -0.00  -0.15  0.00   0.00   
1 1 1 5  0  25 o 7.8422  0.4056 8.3663  45.000    0.11   0.11   0.00   0.00   
1 1 1 5  0  26 o 16.062  0.3948 17.086  0.0000    0.55   0.00   0.00   0.00   
1 1 1 5  1  0  o 35.893  0.3354 54.691  0.0000    -0.08  0.00   0.00   0.00   
1 1 1 5  1  1  o 7.2696  0.2294 14.506  -87.2000  0.19   -1.06  0.64   0.34   
1 1 1 5  1  2  o 89.412  0.4698 85.505  -168.9000 -0.20  0.02   0.01   0.01   
1 1 1 5  1  3  o 59.774  0.2691 46.855  -171.1000 0.09   0.01   0.01   0.01   
1 1 1 5  1  4  o 72.142  1.9331 59.762  -43.3000  10.13  -9.04  0.68   2.74   
1 1 1 5  1  5  o 44.707  0.6325 49.707  127.400   -1.31  -1.88  -0.15  -0.62  
1 1 1 5  1  6  o 44.330  0.3835 42.506  64.300    0.53   0.85   0.19   -0.13  
1 1 1 5  1  7  o 29.053  1.0652 44.834  108.200   2.92   8.33   1.52   -1.51  
1 1 1 5  1  8  o 29.035  0.1760 8.1599  138.900   -0.52  0.92   0.62   0.57   
1 1 1 5  1  9  o 83.689  0.3617 86.612  -165.0000 -0.47  -1.52  0.64   -0.12  
1 1 1 5  1  10 o 85.149  0.3588 69.240  33.700    -0.13  0.29   0.13   -0.01  
1 1 1 5  1  11 o 47.841  0.5795 65.085  -81.4000  -4.99  -6.45  0.48   -2.68  
1 1 1 5  1  12 o 74.322  0.3189 82.540  -130.3000 -0.82  -1.27  1.76   0.46   
1 1 1 5  1  13 o 19.883  0.1288 12.175  -73.3000  0.00   0.25   0.35   0.65   
1 1 1 5  1  14 f 13.829  0.1778 14.720  163.800   0.07   0.43   0.06   -0.04  
1 1 1 5  1  15 o 24.584  0.1743 21.975  -109.7000 0.54   0.10   -0.09  -0.07  
1 1 1 5  1  16 o 55.352  1.1877 53.762  -27.7000  1.84   -8.39  0.76   0.22   
1 1 1 5  1  17 o 20.589  0.1445 20.455  73.600    0.25   0.36   -0.42  -0.53  
1 1 1 5  1  18 o 58.055  0.2665 56.455  102.000   -0.72  1.08   -0.69  0.08   
1 1 1 5  1  19 o 15.109  0.5807 14.396  136.300   -0.58  4.50   0.71   0.09   
1 1 1 5  1  20 o 12.474  0.1673 11.729  -105.4000 0.69   -0.82  0.45   0.52   
1 1 1 5  1  21 o 9.4200  0.2154 8.0424  169.500   -0.61  0.10   -0.08  0.09   
1 1 1 5  1  22 o 12.113  0.2031 13.229  -80.9000  0.00   -0.09  0.00   0.00   
1 1 1 5  1  23 o 16.913  0.1855 17.155  46.600    0.80   -0.04  0.01   0.26   
1 1 1 5  1  24 o 13.596  0.2055 12.862  -172.3000 0.36   0.06   0.10   -0.06  
1 1 1 5  1  25 o 13.412  0.2737 13.192  147.800   -0.37  0.16   0.01   0.02   
1 1 1 5  1  26 o 8.4452  0.3611 8.6789  -128.3000 -0.07  -0.08  -0.00  0.00   
1 1 1 5  2  0  o 72.293  0.8442 40.889  -0.0000   0.54   0.00   0.00   0.00   
1 1 1 5  2  1  o 85.015  0.9842 99.184  92.700    1.37   -1.83  0.00   0.00   
1 1 1 5  2  2  o 43.003  0.1986 41.788  -82.6000  -0.26  0.86   -0.22  1.00   
1 1 1 5  2  3  o 28.168  0.2895 31.728  -129.1000 -0.87  0.39   -0.34  0.16   
1 1 1 5  2  4  o 36.929  0.3041 35.716  -112.3000 -1.68  -0.11  -0.87  0.91   
1 1 1 5  2  5  o 45.946  0.6610 41.645  43.600    2.02   1.20   -0.54  -0.29  
1 1 1 5  2  6  o 44.945  0.2190 68.168  174.200   -0.46  -0.14  0.69   -0.07  
1 1 1 5  2  7  o 39.964  0.2674 43.805  86.100    -0.49  0.29   -0.08  0.08   
1 1 1 5  2  8  o 85.712  0.4004 64.176  96.600    1.54   1.26   -0.60  -0.61  
1 1 1 5  2  9  o 28.709  0.3660 12.842  -152.3000 -0.79  -0.90  0.05   -0.22  
1 1 1 5  2  10 o 78.602  0.3327 88.459  -16.8000  0.23   -0.43  0.21   0.07   
1 1 1 5  2  11 o 60.407  0.5245 57.543  70.100    3.13   0.80   -0.53  -0.39  
1 1 1 5  2  12 o 35.929  0.4528 22.569  22.600    -0.19  5.72   1.97   0.40   
1 1 1 5  2  13 o 58.059  0.5067 61.060  -37.5000  -0.56  -0.15  -0.01  -0.02  
1 1 1 5  2  14 o 22.939  0.1483 30.652  166.200   -0.40  0.02   -0.12  0.88   
1 1 1 5  2  15 o 23.447  0.3386 23.750  44.700    -1.16  4.48   1.64   1.28   
1 1 1 5  2  16 o 21.440  0.5003 27.386  106.200   -1.14  2.75   0.25   0.21   
1 1 1 5  2  17 o 15.176  0.2126 16.049  44.500    1.66   0.00   -0.58  -0.10  
1 1 1 5  2  18 o 8.9080  0.1781 3.7147  175.600   0.03   0.05   -0.08  0.08   
1 1 1 5  2  19 o 22.336  0.4169 20.878  -108.1000 0.42   -3.85  0.93   0.52   
1 1 1 5  2  20 f 14.914  0.1866 19.544  144.500   1.15   1.65   -0.10  -1.08  
1 1 1 5  2  21 o 16.603  0.4750 20.142  -17.1000  2.11   -1.83  0.09   0.43   
1 1 1 5  2  22 o 7.7294  0.3431 8.5833  -10.1000  0.24   0.71   0.07   -0.03  
1 1 1 5  2  23 o 16.526  0.5916 15.140  9.4000    1.82   -0.99  -0.16  0.10   
1 1 1 5  2  24 o 12.468  0.2427 12.956  176.200   -0.91  0.19   -0.14  -0.06  
1 1 1 5  2  25 o 4.0622  0.9676 4.6539  -120.0000 -0.04  0.16   0.00   0.00   
1 1 1 5  2  26 o 6.9059  0.4692 5.3184  -9.7000   0.26   0.20   0.04   0.02   
1 1 1 5  3  0  o 2.7386  0.0884 1.9294  -0.0000   -0.00  0.00   0.00   0.00   
1 1 1 5  3  1  o 19.704  0.9548 18.443  67.400    2.30   4.25   0.53   -0.67  
1 1 1 5  3  2  f 46.771  0.5188 53.200  -135.4000 -2.85  1.76   -1.19  0.99   
1 1 1 5  3  3  o 48.926  0.9278 56.637  172.800   -2.84  -1.89  -0.08  -0.52  
1 1 1 5  3  4  o 33.867  0.3189 40.905  56.600    -0.56  0.65   0.26   0.17   
1 1 1 5  3  5  o 42.985  0.2134 47.733  35.300    -0.50  -0.11  -0.02  0.29   
1 1 1 5  3  6  o 12.181  0.1528 25.047  167.500   0.05   -0.79  0.72   0.32   
1 1 1 5  3  7  o 77.545  0.8601 83.776  125.400   -2.45  1.27   -0.27  0.23   
1 1 1 5  3  8  o 57.137  0.5460 46.287  20.700    -0.84  4.04   1.33   0.97   
1 1 1 5  3  9  o 15.597  0.7324 10.506  69.300    -2.86  5.14   0.69   1.06   
1 1 1 5  3  10 o 52.120  0.2411 52.696  -93.1000  0.02   -0.19  -1.00  -0.03  
1 1 1 5  3  11 o 96.876  0.4011 103.351 -18.5000  -0.62  0.09   0.08   0.32   
1 1 1 5  3  12 o 21.881  0.2828 13.122  93.400    0.41   2.61   0.83   -0.37  
1 1 1 5  3  13 o 22.650  0.2785 21.052  101.700   -1.94  1.25   -0.35  0.57   
1 1 1 5  3  14 f 53.014  0.4292 48.650  60.200    -3.17  4.31   -0.39  2.72   
1 1 1 5  3  15 o 44.952  0.5278 48.645  0.3000    1.49   3.84   0.72   -0.41  
1 1 1 5  3  16 o 19.817  0.2943 30.503  117.900   -1.64  -1.90  0.01   -0.64  
1 1 1 5  3  17 o 44.853  0.2128 45.003  -27.8000  0.17   0.98   0.33   1.26   
1 1 1 5  3  18 o 45.712  0.5547 47.501  -90.2000  2.42   -4.09  0.13   0.91   
1 1 1 5  3  19 o 28.700  0.6062 27.561  -39.2000  -1.60  -5.50  0.72   -0.76  
1 1 1 5  3  20 o 22.373  0.2809 17.896  105.900   0.37   1.56   0.18   -0.23  
1 1 1 5  3  21 o 16.342  0.1795 16.586  -0.7000   0.25   -0.29  -0.03  0.04   
1 1 1 5  3  22 o 16.513  0.1784 13.712  151.600   0.29   0.71   -0.02  -0.22  
1 1 1 5  3  23 o 23.315  0.2039 24.560  144.500   -0.12  1.69   0.14   -0.58  
1 1 1 5  3  24 o 21.864  0.1885 22.056  75.700    0.80   0.75   -0.22  0.38   
1 1 1 5  3  25 o 4.9971  0.3586 4.7569  -54.4000  0.14   0.04   0.00   -0.01  
1 1 1 5  3  26 o 12.251  0.3294 13.040  45.900    0.83   1.01   -0.08  0.46   
1 1 1 5  4  0  o 19.993  0.2104 24.027  0.0000    0.10   0.00   0.00   0.00   
1 1 1 5  4  1  o 13.633  0.4645 15.318  -72.4000  -0.87  -1.21  0.07   -0.33  
1 1 1 5  4  2  o 84.964  0.5318 92.354  99.400    1.31   -0.00  -0.16  -0.19  
1 1 1 5  4  3  o 117.327 0.6456 119.830 17.900    1.10   0.17   0.24   -0.08  
1 1 1 5  4  4  o 32.452  0.1715 37.203  122.000   -0.97  0.21   -0.47  -1.54  
1 1 1 5  4  5  o 10.271  0.0886 16.522  40.600    0.15   0.00   0.70   -0.14  
1 1 1 5  4  6  o 27.640  0.5824 45.094  -119.0000 -1.19  -1.61  0.17   -0.32  
1 1 1 5  4  7  o 73.100  0.3233 58.463  -59.3000  0.31   -0.01  -0.05  -0.13  
1 1 1 5  4  8  o 108.265 0.8172 96.422  165.400   -3.18  2.64   -0.66  0.91   
1 1 1 5  4  9  o 79.081  0.6739 52.010  149.200   -2.86  -3.30  0.43   -1.25  
1 1 1 5  4  10 o 39.697  0.3106 44.786  -108.6000 -0.48  -3.98  2.26   -0.81  
1 1 1 5  4  11 o 31.362  0.5113 23.584  -12.8000  4.42   -2.42  -0.45  0.79   
1 1 1 5  4  12 o 40.562  0.2177 40.614  -76.9000  1.80   -0.26  -3.45  -1.59  
1 1 1 5  4  13 o 38.432  0.3329 35.939  17.300    -1.81  1.78   0.14   0.68   
1 1 1 5  4  14 o 7.2330  0.1673 18.706  94.400    -0.53  0.95   0.35   0.44   
1 1 1 5  4  15 o 14.210  0.1453 20.459  -154.2000 -0.83  -0.38  -0.19  -0.34  
1 1 1 5  4  16 o 29.949  0.4712 20.691  -32.3000  4.08   0.73   -0.67  -0.35  
1 1 1 5  4  17 o 22.955  0.5840 21.064  -16.7000  4.85   -5.89  0.50   1.67   
1 1 1 5  4  18 o 44.113  0.3843 44.476  -82.3000  -2.90  -1.14  -0.77  -0.20  
1 1 1 5  4  19 o 8.9026  0.1896 11.674  -82.9000  -1.11  -0.28  -1.01  -0.09  
1 1 1 5  4  20 o 35.113  0.1975 35.181  128.700   -1.46  -0.02  0.07   -0.97  
1 1 1 5  4  21 o 9.1511  0.2377 8.5617  102.600   -0.73  -0.23  -0.25  -0.00  
1 1 1 5  4  22 o 12.187  0.2682 11.481  -4.8000   1.24   -1.84  0.53   0.52   
1 1 1 5  4  23 o 19.951  0.2577 21.777  37.400    0.39   0.80   -0.06  -0.13  
1 1 1 5  4  24 o 6.0543  0.5066 5.2070  60.500    0.37   0.36   -0.01  -0.02  
1 1 1 5  4  25 o 1.6193  0.8591 4.6842  -23.9000  0.35   -0.09  -0.05  -0.00  
1 1 1 5  4  26 o 6.2457  0.5001 5.6686  92.800    0.00   -0.76  0.04   0.07   
1 1 1 5  5  0  o 49.305  0.4930 22.300  180.000   -0.37  0.00   0.00   0.00   
1 1 1 5  5  1  o 16.864  0.1615 4.0124  90.000    -0.00  -0.10  0.00   0.00   
1 1 1 5  5  2  o 7.8804  0.0940 14.556  180.000   -0.03  0.00   0.00   0.00   
1 1 1 5  5  3  o 15.060  0.1414 24.699  -90.0000  0.00   0.04   0.00   0.00   
1 1 1 5  5  4  f 6.5879  0.1119 29.277  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 5  5  5  o 29.712  0.2453 53.055  -90.0000  0.00   0.19   0.00   0.00   
1 1 1 5  5  6  f 11.185  0.1456 11.886  -0.0000   -0.00  0.00   0.00   0.00   
1 1 1 5  5  7  o 30.070  0.2245 11.340  90.000    -0.00  -0.05  0.00   0.00   
1 1 1 5  5  8  o 51.845  0.3344 70.360  -0.0000   0.23   0.00   0.00   0.00   
1 1 1 5  5  9  o 25.524  0.1963 27.180  90.000    -0.00  -0.01  0.00   0.00   
1 1 1 5  5  10 f 58.455  0.3672 73.605  -180.0000 0.13   0.00   0.00   0.00   
1 1 1 5  5  11 o 61.487  0.3935 45.839  -90.0000  0.00   0.02   0.00   0.00   
1 1 1 5  5  12 o 78.759  0.4802 75.246  -0.0000   0.02   0.00   0.00   0.00   
1 1 1 5  5  13 o 63.695  0.4002 55.252  90.000    0.00   0.16   0.00   0.00   
1 1 1 5  5  14 o 10.775  0.2004 8.3565  -179.9000 -0.04  0.00   0.00   0.00   
1 1 1 5  5  15 o 14.085  0.1857 15.059  -90.0000  0.00   0.00   0.00   0.00   
1 1 1 5  5  16 o 16.233  0.2008 17.381  -179.9000 0.05   0.00   0.00   0.00   
1 1 1 5  5  17 o 15.511  0.2381 18.671  -90.1000  -0.00  -0.10  0.00   0.00   
1 1 1 5  5  18 o 40.978  0.3340 31.727  -180.0000 -0.28  0.00   0.00   0.00   
1 1 1 5  5  19 o 12.058  0.2478 9.0058  -90.0000  0.00   0.18   0.00   0.00   
1 1 1 5  5  20 f 4.5717  0.4912 4.9402  -179.9000 -0.07  0.00   0.00   0.00   
1 1 1 5  5  21 o 6.9785  0.3671 8.3433  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 5  5  22 o 21.952  0.2766 20.551  -0.0000   0.65   0.00   0.00   0.00   
1 1 1 5  5  23 o 41.544  0.3284 ?       ?         -0.00  -1.20  0.00   0.00   
1 1 1 5  5  24 o 8.0870  0.3945 5.8503  -180.0000 -0.22  0.00   0.00   0.00   
1 1 1 5  5  25 o 8.8882  0.4543 12.397  90.000    -0.00  -0.02  0.00   0.00   
1 1 1 5  5  26 o 1.8708  1.3383 2.4057  0.0000    -0.11  0.00   0.00   0.00   
1 1 1 6  0  0  o 8.3726  0.1236 17.877  180.000   -0.03  0.00   0.00   0.00   
1 1 1 6  0  1  o 5.7096  0.0692 2.3692  -45.0000  -0.01  0.01   0.00   0.00   
1 1 1 6  0  2  o 22.120  0.1727 3.7331  90.000    0.00   0.04   0.00   0.00   
1 1 1 6  0  3  o 85.786  0.5133 82.661  45.000    0.23   0.23   0.00   0.00   
1 1 1 6  0  4  o 77.716  0.4821 65.998  -180.0000 -0.22  0.00   0.00   0.00   
1 1 1 6  0  5  o 17.430  0.1676 16.086  135.100   0.08   -0.08  0.00   0.00   
1 1 1 6  0  6  o 46.826  0.3171 36.033  -89.9000  -0.00  -0.36  0.00   0.00   
1 1 1 6  0  7  o 66.951  0.4481 83.850  45.000    -0.34  -0.34  0.00   0.00   
1 1 1 6  0  8  o 30.138  0.2354 1.9271  0.1000    0.19   0.00   0.00   0.00   
1 1 1 6  0  9  o 26.829  0.2090 30.261  -45.0000  -0.05  0.05   0.00   0.00   
1 1 1 6  0  10 o 106.102 0.6114 89.410  90.000    0.00   0.19   0.00   0.00   
1 1 1 6  0  11 o 32.181  0.2360 16.220  -134.9000 -0.02  -0.02  0.00   0.00   
1 1 1 6  0  12 o 34.054  0.2362 22.649  180.000   -0.06  0.00   0.00   0.00   
1 1 1 6  0  13 o 28.791  0.2428 37.354  -45.0000  0.09   -0.09  0.00   0.00   
1 1 1 6  0  14 o 23.969  0.2273 23.312  90.000    0.00   0.07   0.00   0.00   
1 1 1 6  0  15 o 22.841  0.2832 13.206  44.900    0.22   0.22   0.00   0.00   
1 1 1 6  0  16 o 37.616  0.2784 30.325  0.0000    -0.08  0.00   0.00   0.00   
1 1 1 6  0  17 o 10.291  0.2374 18.233  135.000   0.07   -0.07  0.00   0.00   
1 1 1 6  0  18 o 20.657  0.2298 26.748  -90.0000  -0.00  -0.32  0.00   0.00   
1 1 1 6  0  19 o 28.742  0.2432 29.109  -135.0000 0.02   0.02   0.00   0.00   
1 1 1 6  0  20 o 15.767  0.2312 16.762  0.0000    0.03   0.00   0.00   0.00   
1 1 1 6  0  21 o 4.8374  0.4433 5.0397  135.000   0.05   -0.05  0.00   0.00   
1 1 1 6  0  22 o 11.606  0.2694 12.647  90.000    0.00   0.08   0.00   0.00   
1 1 1 6  0  23 o 12.353  0.2809 10.792  -135.0000 -0.18  -0.18  0.00   0.00   
1 1 1 6  0  24 o 16.897  0.2880 15.505  -180.0000 -0.16  0.00   0.00   0.00   
1 1 1 6  0  25 o 7.2111  0.4434 5.8516  -45.0000  -0.32  0.32   0.00   0.00   
1 1 1 6  0  26 o 2.5884  1.0469 3.9861  -90.0000  -0.00  -0.07  0.00   0.00   
1 1 1 6  1  0  o 31.820  0.2649 22.062  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 6  1  1  o 38.674  0.4108 15.223  138.000   0.62   5.92   6.08   -4.36  
1 1 1 6  1  2  o 16.336  0.4691 15.458  -21.0000  -3.53  -1.31  -1.42  -1.62  
1 1 1 6  1  3  o 47.228  0.7081 40.775  152.900   -4.32  1.04   -1.07  1.05   
1 1 1 6  1  4  f 55.324  0.2539 58.358  58.600    0.37   0.74   -0.48  -0.02  
1 1 1 6  1  5  o 22.875  0.7342 14.482  59.200    0.71   2.09   0.39   -0.17  
1 1 1 6  1  6  f 33.490  0.6556 35.064  48.500    0.32   4.28   1.36   0.09   
1 1 1 6  1  7  o 70.169  0.3156 71.108  -148.6000 -0.16  -0.12  0.01   -0.02  
1 1 1 6  1  8  o 25.687  0.7874 19.685  123.600   5.46   0.69   -1.05  -0.33  
1 1 1 6  1  9  o 26.115  0.4374 32.747  -2.1000   2.42   1.70   -0.26  -0.89  
1 1 1 6  1  10 o 36.358  0.1784 46.841  -157.2000 -0.36  1.58   1.17   0.34   
1 1 1 6  1  11 o 35.357  0.1759 25.473  161.600   0.18   0.94   0.77   -0.69  
1 1 1 6  1  12 o 14.291  0.1549 17.288  -135.0000 1.54   0.38   -1.01  -0.38  
1 1 1 6  1  13 o 30.085  0.4989 25.052  36.800    4.54   -2.96  -0.39  1.19   
1 1 1 6  1  14 o 23.492  0.2088 18.879  -57.4000  0.85   -1.07  -0.03  0.54   
1 1 1 6  1  15 o 61.327  0.2745 59.215  -157.6000 0.28   -1.26  0.12   0.45   
1 1 1 6  1  16 o 18.316  0.2589 20.296  -98.6000  0.84   -0.44  -0.08  0.09   
1 1 1 6  1  17 o 34.223  0.4785 30.890  151.200   -1.07  1.20   0.04   0.12   
1 1 1 6  1  18 o 14.337  0.3121 14.087  119.500   -1.03  2.00   0.22   0.44   
1 1 1 6  1  19 o 17.746  0.1752 14.695  164.900   -0.46  -1.26  0.23   -0.60  
1 1 1 6  1  20 o 23.855  0.1609 21.136  -168.6000 0.03   -0.85  0.17   -0.14  
1 1 1 6  1  21 o 6.9060  0.5476 8.1805  142.000   -0.59  1.12   0.07   0.07   
1 1 1 6  1  22 o 11.168  0.3658 10.468  -76.2000  -0.46  -1.82  0.22   -0.22  
1 1 1 6  1  23 o 10.019  0.2165 9.1680  95.400    0.44   -0.38  0.52   -0.32  
1 1 1 6  1  24 o 11.499  0.2221 9.6266  -171.6000 0.41   0.86   -0.51  -0.37  
1 1 1 6  1  25 o 14.353  0.3051 15.284  161.700   -2.11  -0.05  -0.20  -0.51  
1 1 1 6  1  26 o 9.0829  0.3655 10.713  -95.9000  0.25   0.66   -0.08  -0.08  
1 1 1 6  2  0  o 28.086  0.2401 38.762  -0.0000   -0.22  0.00   0.00   0.00   
1 1 1 6  2  1  o 46.804  0.2971 50.493  -118.6000 0.62   -0.81  -0.17  0.36   
1 1 1 6  2  2  o 26.897  0.2194 35.350  -170.6000 -0.82  0.15   -0.31  0.37   
1 1 1 6  2  3  o 51.871  1.8047 42.397  74.000    10.11  13.97  0.65   -3.50  
1 1 1 6  2  4  o 31.502  1.4614 43.767  -165.4000 -3.02  -4.09  0.07   -0.58  
1 1 1 6  2  5  o 19.913  0.1190 19.546  175.500   0.04   0.04   -0.01  0.02   
1 1 1 6  2  6  o 16.818  1.1443 15.734  -90.7000  -1.82  -5.54  0.63   -0.41  
1 1 1 6  2  7  o 84.939  1.1610 72.328  -86.2000  -11.21 -8.15  -2.61  -4.57  
1 1 1 6  2  8  o 39.131  0.1957 30.745  167.300   0.19   0.37   0.01   -0.29  
1 1 1 6  2  9  o 47.039  0.2365 45.372  -141.2000 -1.22  -0.63  -0.37  -1.17  
1 1 1 6  2  10 o 46.746  0.3378 48.225  -171.8000 -0.67  4.07   2.19   1.07   
1 1 1 6  2  11 o 51.746  0.2314 55.539  37.400    0.03   0.31   -0.30  0.87   
1 1 1 6  2  12 o 20.220  0.2591 32.269  6.5000    -0.84  -1.14  0.06   -0.29  
1 1 1 6  2  13 o 20.053  0.1476 8.9829  -71.8000  1.01   0.18   -2.30  -3.59  
1 1 1 6  2  14 o 21.358  0.6948 11.588  -148.2000 -4.22  -0.69  -0.48  -0.12  
1 1 1 6  2  15 o 44.948  0.2527 42.623  114.000   2.08   1.47   -1.81  -1.16  
1 1 1 6  2  16 f 24.853  0.1560 25.402  142.800   0.09   -0.12  -0.06  0.06   
1 1 1 6  2  17 o 53.069  0.4154 52.094  -145.3000 1.69   -3.45  0.23   1.17   
1 1 1 6  2  18 o 13.346  0.2433 11.601  151.300   -1.67  -1.00  -0.19  -0.59  
1 1 1 6  2  19 o 39.734  0.2678 41.017  130.700   -0.85  1.36   0.38   0.12   
1 1 1 6  2  20 o 13.004  0.1831 4.9622  42.600    0.32   -0.26  0.04   0.09   
1 1 1 6  2  21 o 8.2138  0.2167 6.5243  97.700    0.22   -0.20  0.14   0.08   
1 1 1 6  2  22 o 9.2067  0.2382 4.8489  105.200   0.01   0.26   0.03   -0.13  
1 1 1 6  2  23 o 10.965  0.2139 12.782  179.000   -0.05  0.51   0.02   0.17   
1 1 1 6  2  24 o 13.683  0.2123 13.050  -164.5000 -0.39  -1.00  0.34   0.21   
1 1 1 6  2  25 o 19.333  0.2706 18.720  10.500    1.58   1.24   0.46   -0.11  
1 1 1 6  2  26 o 4.2232  0.6766 4.2760  -119.8000 -0.20  0.04   0.00   0.01   
1 1 1 6  3  0  o 21.352  0.2408 34.149  -180.0000 0.29   0.00   0.00   0.00   
1 1 1 6  3  1  o 33.164  0.4531 26.992  -178.6000 -1.68  -2.81  1.33   -1.27  
1 1 1 6  3  2  o 95.242  0.4565 88.515  91.000    1.10   -0.27  -0.16  -0.27  
1 1 1 6  3  3  o 22.319  0.4302 30.381  45.200    1.09   0.87   -0.15  -0.33  
1 1 1 6  3  4  o 20.778  0.3506 25.736  4.7000    0.77   -1.96  0.59   1.56   
1 1 1 6  3  5  o 45.702  0.2246 42.813  -0.7000   0.00   0.14   -0.01  -0.02  
1 1 1 6  3  6  o 20.291  0.1202 24.557  118.900   0.04   0.08   -0.00  -0.02  
1 1 1 6  3  7  o 57.686  0.2618 44.142  -51.7000  -0.01  0.01   -0.00  0.00   
1 1 1 6  3  8  o 42.484  0.2089 56.413  -175.1000 -1.12  -0.34  -0.65  -0.78  
1 1 1 6  3  9  o 69.700  0.8072 62.024  24.300    3.44   5.02   0.80   -1.46  
1 1 1 6  3  10 o 39.328  0.6841 30.928  166.700   -14.48 -5.81  -4.40  -4.65  
1 1 1 6  3  11 f 14.345  0.4460 15.325  -139.8000 -3.41  -2.95  -0.14  -0.79  
1 1 1 6  3  12 o 25.521  0.5202 23.436  169.800   -4.08  -1.89  -0.57  -0.58  
1 1 1 6  3  13 o 21.484  0.4135 20.728  -133.0000 -5.03  1.49   -1.25  0.96   
1 1 1 6  3  14 o 28.211  0.1556 41.155  -111.5000 -1.32  -0.28  -1.10  0.09   
1 1 1 6  3  15 o 31.362  0.1658 28.656  -178.4000 -0.44  -0.98  0.61   -0.22  
1 1 1 6  3  16 o 14.133  0.4064 12.098  -162.0000 -4.67  1.70   -1.06  0.78   
1 1 1 6  3  17 o 20.622  0.5814 26.651  -12.5000  7.67   1.07   -1.72  -0.33  
1 1 1 6  3  18 o 23.541  0.7716 27.198  -37.5000  11.12  1.71   -2.01  -0.88  
1 1 1 6  3  19 o 15.553  0.1626 13.043  136.600   -0.00  -0.70  0.39   -0.43  
1 1 1 6  3  20 o 4.2037  0.3802 6.9270  -64.5000  0.62   0.57   -0.03  -0.12  
1 1 1 6  3  21 o 9.0570  0.2118 11.165  -36.7000  -0.06  -0.27  0.03   0.00   
1 1 1 6  3  22 o 30.492  0.1824 26.758  81.200    -0.20  1.07   -0.59  -0.39  
1 1 1 6  3  23 o 13.504  0.2036 14.053  -42.4000  0.01   0.81   0.11   0.18   
1 1 1 6  3  24 o 6.2653  0.5909 3.7647  56.700    -0.79  -1.78  0.09   -0.20  
1 1 1 6  3  25 o 6.3654  0.3279 5.9067  -10.8000  -0.06  0.07   -0.01  0.00   
1 1 1 6  3  26 o 8.3111  0.4358 9.8659  103.600   0.07   0.66   -0.03  0.12   
1 1 1 6  4  0  o 32.553  0.2696 23.531  -180.0000 0.44   0.00   0.00   0.00   
1 1 1 6  4  1  f 45.636  0.2222 51.446  -24.4000  -0.26  0.36   -0.44  -0.47  
1 1 1 6  4  2  o 23.932  0.1291 15.067  -158.5000 0.10   0.05   0.15   0.11   
1 1 1 6  4  3  o 49.555  1.1139 29.665  -21.1000  3.76   5.19   1.09   -1.29  
1 1 1 6  4  4  o 29.911  0.4897 37.676  78.600    -0.08  0.44   0.03   0.03   
1 1 1 6  4  5  o 38.701  1.6102 33.858  106.900   4.63   11.83  2.64   -1.62  
1 1 1 6  4  6  o 25.280  0.5004 36.149  -61.5000  2.23   2.35   -0.20  -1.29  
1 1 1 6  4  7  o 59.114  0.3386 43.996  10.100    -0.42  -1.86  0.93   -0.05  
1 1 1 6  4  8  o 75.134  0.9330 88.354  161.400   -4.14  10.62  3.77   2.64   
1 1 1 6  4  9  o 57.660  0.2543 71.743  -179.0000 -0.07  0.59   0.82   -0.45  
1 1 1 6  4  10 o 57.291  0.4901 63.151  35.100    -0.75  2.28   0.27   0.26   
1 1 1 6  4  11 o 37.756  0.1825 30.437  48.100    0.10   -0.18  0.39   -0.05  
1 1 1 6  4  12 o 76.514  0.3314 85.843  27.800    -0.29  2.27   0.68   1.46   
1 1 1 6  4  13 o 14.022  0.1296 7.0171  140.500   -0.08  -0.03  0.37   -0.18  
1 1 1 6  4  14 o 29.532  0.3097 37.013  -131.4000 -3.04  -2.35  -0.99  -1.79  
1 1 1 6  4  15 o 13.247  0.1613 15.230  -37.9000  -0.31  -0.80  0.31   -0.18  
1 1 1 6  4  16 o 23.409  0.5405 19.181  -49.6000  2.03   -2.26  0.01   0.29   
1 1 1 6  4  17 o 18.624  0.2148 17.109  139.500   -1.27  -0.79  -0.29  -0.37  
1 1 1 6  4  18 o 12.254  0.1772 7.9693  121.200   1.09   1.43   -0.07  -1.64  
1 1 1 6  4  19 o 11.387  0.2558 10.386  -16.3000  0.06   1.40   0.34   -0.11  
1 1 1 6  4  20 o 15.990  0.5022 14.317  94.000    2.39   2.02   0.01   -0.37  
1 1 1 6  4  21 o 16.053  0.2029 17.016  -42.6000  0.36   -0.26  0.02   0.05   
1 1 1 6  4  22 o 21.150  0.1704 20.348  -70.8000  0.89   -0.72  -0.87  -0.22  
1 1 1 6  4  23 o 21.201  0.1864 21.433  -16.5000  0.20   0.15   0.01   0.03   
1 1 1 6  4  24 o 20.235  0.2151 20.163  -112.2000 0.72   -0.35  0.05   0.09   
1 1 1 6  4  25 o 14.476  0.3862 15.440  -8.4000   1.86   -1.39  0.28   0.36   
1 1 1 6  4  26 o 12.889  0.3160 12.238  141.100   -0.42  0.92   0.09   -0.13  
1 1 1 6  5  0  o 13.766  0.1224 20.405  180.000   0.05   0.00   0.00   0.00   
1 1 1 6  5  1  o 62.442  0.8811 51.898  -123.6000 -2.98  -3.53  -0.24  -1.15  
1 1 1 6  5  2  o 39.765  0.9513 59.231  68.800    1.76   4.00   0.61   -0.46  
1 1 1 6  5  3  o 19.187  1.2331 13.646  -21.0000  8.55   -1.42  -2.03  0.98   
1 1 1 6  5  4  o 74.165  0.3326 73.172  57.800    -1.48  -0.46  0.23   0.93   
1 1 1 6  5  5  o 40.332  0.2021 54.439  -94.6000  -0.01  -0.06  -0.01  0.01   
1 1 1 6  5  6  o 76.385  0.3283 60.700  168.700   -1.04  -0.23  1.06   0.01   
1 1 1 6  5  7  o 35.923  0.1805 36.950  -38.0000  -0.50  -0.38  -0.45  -0.44  
1 1 1 6  5  8  o 103.452 0.5437 103.336 -2.7000   2.13   1.97   0.36   -1.05  
1 1 1 6  5  9  o 28.788  0.5237 26.506  136.600   -1.56  -1.80  0.05   -0.25  
1 1 1 6  5  10 o 25.479  0.3777 28.070  -49.4000  -0.59  -5.00  1.71   -0.50  
1 1 1 6  5  11 o 88.747  0.3708 94.444  -36.1000  1.76   0.26   -0.34  -0.37  
1 1 1 6  5  12 o 46.904  0.5631 44.355  94.300    0.83   3.53   0.49   -0.36  
1 1 1 6  5  13 o 19.615  0.1890 18.682  173.300   -2.76  0.64   -1.63  1.18   
1 1 1 6  5  14 o 28.426  0.1606 27.854  -85.9000  -0.06  0.70   0.21   0.16   
1 1 1 6  5  15 o 19.646  0.2063 16.688  -89.8000  -0.10  0.37   0.03   0.03   
1 1 1 6  5  16 o 12.400  0.3498 14.208  112.500   -2.59  -0.19  -0.51  -0.11  
1 1 1 6  5  17 o 20.181  0.5589 17.631  -33.8000  1.77   -4.35  0.53   0.43   
1 1 1 6  5  18 o 29.550  0.1675 29.370  158.200   -1.48  -0.32  -0.43  -1.23  
1 1 1 6  5  19 o 22.415  0.2384 22.758  43.900    0.54   -0.08  -0.04  0.04   
1 1 1 6  5  20 o 23.875  0.1940 24.272  -22.7000  0.25   0.81   0.16   0.01   
1 1 1 6  5  21 o 17.682  0.3948 15.371  25.200    2.77   1.49   -0.57  -0.39  
1 1 1 6  5  22 o 20.172  0.1829 21.389  -135.1000 -0.52  0.06   0.00   0.15   
1 1 1 6  5  23 o 7.7034  0.3662 7.1546  168.800   -0.48  0.58   0.05   0.06   
1 1 1 6  5  24 o 6.6105  0.5990 7.7368  -139.2000 -3.85  -0.07  -0.80  0.22   
1 1 1 6  5  25 o 5.8258  0.3628 5.4271  -47.4000  0.24   -0.47  -0.14  -0.33  
1 1 1 6  5  26 o 3.1749  1.3702 4.6463  -138.6000 0.06   -0.18  -0.00  -0.02  
1 1 1 6  6  0  o 37.590  0.3205 21.584  0.0000    0.08   0.00   0.00   0.00   
1 1 1 6  6  1  o 17.866  0.1664 3.4959  -90.2000  0.00   0.05   0.00   0.00   
1 1 1 6  6  2  o 22.665  0.1816 6.5576  -179.8000 0.10   0.00   0.00   0.00   
1 1 1 6  6  3  f 66.696  0.4194 33.677  -90.1000  -0.00  -1.13  0.00   0.00   
1 1 1 6  6  4  o 7.3959  0.1000 6.1197  -0.1000   -0.06  0.00   0.00   0.00   
1 1 1 6  6  5  o 129.920 0.7656 77.219  90.000    -0.00  -0.23  0.00   0.00   
1 1 1 6  6  6  o 66.519  0.4324 89.675  -0.0000   0.04   0.00   0.00   0.00   
1 1 1 6  6  7  o 111.728 0.6545 86.849  90.000    0.00   0.59   0.00   0.00   
1 1 1 6  6  8  o 43.050  0.2896 45.096  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 6  6  9  o 129.655 0.7378 116.635 -90.0000  -0.00  -0.25  0.00   0.00   
1 1 1 6  6  10 o 72.715  0.4503 54.696  -180.0000 -0.27  0.00   0.00   0.00   
1 1 1 6  6  11 o 5.2058  0.2209 9.1243  90.000    0.00   0.02   0.00   0.00   
1 1 1 6  6  12 o 80.327  0.4900 82.488  180.000   -0.12  0.00   0.00   0.00   
1 1 1 6  6  13 f 19.575  0.2097 14.675  -90.0000  0.00   0.00   0.00   0.00   
1 1 1 6  6  14 o 17.181  0.2410 23.125  -180.0000 -0.01  0.00   0.00   0.00   
1 1 1 6  6  15 o 26.710  0.2669 19.785  -90.0000  -0.00  -0.36  0.00   0.00   
1 1 1 6  6  16 o 74.024  0.4685 65.608  0.0000    0.42   0.00   0.00   0.00   
1 1 1 6  6  17 o 60.824  0.3929 60.856  -90.0000  0.00   0.27   0.00   0.00   
1 1 1 6  6  18 o 42.743  0.2847 39.305  0.0000    0.16   0.00   0.00   0.00   
1 1 1 6  6  19 f 9.7775  0.2444 1.6642  89.800    0.00   0.04   0.00   0.00   
1 1 1 6  6  20 o 16.505  0.2330 13.494  -180.0000 -0.14  0.00   0.00   0.00   
1 1 1 6  6  21 o 18.711  0.2427 16.832  90.000    0.00   0.02   0.00   0.00   
1 1 1 6  6  22 o 40.773  0.3200 44.009  -0.0000   0.23   0.00   0.00   0.00   
1 1 1 6  6  23 o 18.873  0.2613 18.648  90.000    0.00   0.62   0.00   0.00   
1 1 1 6  6  24 o 7.5895  0.3881 5.4973  -0.0000   0.15   0.00   0.00   0.00   
1 1 1 6  6  25 o 7.7460  0.4564 4.9998  90.000    -0.00  -0.42  0.00   0.00   
1 1 1 6  6  26 o 7.5565  0.6385 7.3580  -0.0000   -0.10  0.00   0.00   0.00   
1 1 1 7  0  1  o 26.317  0.1980 0.5161  -135.0000 0.14   0.14   0.00   0.00   
1 1 1 7  0  2  o 57.058  0.3519 44.979  180.000   -0.13  0.00   0.00   0.00   
1 1 1 7  0  3  o 9.5394  0.1191 3.1026  134.400   0.06   -0.06  0.00   0.00   
1 1 1 7  0  4  o 17.833  0.1722 19.190  90.000    -0.00  -0.14  0.00   0.00   
1 1 1 7  0  5  o 7.5299  0.1048 3.4590  -135.3000 0.04   0.04   0.00   0.00   
1 1 1 7  0  6  o 52.107  0.3441 39.258  -0.0000   0.37   0.00   0.00   0.00   
1 1 1 7  0  7  o 17.793  0.1753 15.734  -44.9000  -0.02  0.02   0.00   0.00   
1 1 1 7  0  8  o 38.821  0.2623 7.8943  89.900    -0.00  -0.00  0.00   0.00   
1 1 1 7  0  9  o 15.070  0.1836 4.7577  45.300    -0.07  -0.07  0.00   0.00   
1 1 1 7  0  10 o 47.950  0.3046 68.108  180.000   -0.09  0.00   0.00   0.00   
1 1 1 7  0  11 o 60.215  0.3878 47.172  -45.0000  0.06   -0.06  0.00   0.00   
1 1 1 7  0  12 o 18.158  0.1772 22.945  90.000    0.00   0.06   0.00   0.00   
1 1 1 7  0  13 o 7.1833  0.2488 3.3069  -135.4000 0.02   0.02   0.00   0.00   
1 1 1 7  0  14 o 17.516  0.1948 9.0947  0.1000    0.02   0.00   0.00   0.00   
1 1 1 7  0  15 o 9.6488  0.2079 16.272  -45.0000  -0.00  0.00   0.00   0.00   
1 1 1 7  0  16 f 9.7826  0.2394 1.7050  89.800    -0.00  -0.05  0.00   0.00   
1 1 1 7  0  17 o 19.857  0.2290 21.776  45.000    0.11   0.11   0.00   0.00   
1 1 1 7  0  18 o 26.896  0.2887 22.901  0.0000    0.10   0.00   0.00   0.00   
1 1 1 7  0  19 o 2.3022  0.6286 5.1959  -45.1000  -0.00  0.00   0.00   0.00   
1 1 1 7  0  20 o 50.906  0.3376 53.187  90.000    -0.00  -0.01  0.00   0.00   
1 1 1 7  0  21 o 20.603  0.2351 19.898  -135.0000 -0.16  -0.16  0.00   0.00   
1 1 1 7  0  22 o 21.378  0.2520 21.881  180.000   -0.47  0.00   0.00   0.00   
1 1 1 7  0  23 o 17.661  0.2540 15.626  135.000   -0.29  0.29   0.00   0.00   
1 1 1 7  0  24 o 22.280  0.2639 22.889  -90.0000  -0.00  -0.03  0.00   0.00   
1 1 1 7  0  25 o 3.0822  0.7811 0.7274  45.000    -0.02  -0.02  0.00   0.00   
1 1 1 7  0  26 o 4.2308  0.8184 4.3552  180.000   -0.01  0.00   0.00   0.00   
1 1 1 7  1  0  o 30.264  0.2361 24.827  180.000   -0.11  0.00   0.00   0.00   
1 1 1 7  1  1  o 15.434  0.5359 26.248  48.500    1.99   1.34   -0.17  -0.64  
1 1 1 7  1  2  o 36.280  0.5908 48.721  -8.9000   1.85   -0.40  -0.36  0.06   
1 1 1 7  1  3  o 20.889  0.4484 9.4136  -19.2000  1.83   -1.39  0.12   1.21   
1 1 1 7  1  4  o 72.800  0.3620 58.629  -43.7000  0.91   -0.33  -0.15  -0.17  
1 1 1 7  1  5  o 60.240  1.3323 27.481  -83.5000  -1.01  -6.72  1.06   -0.89  
1 1 1 7  1  6  o 16.547  0.5707 8.8786  -129.2000 -0.44  -2.88  0.70   -0.31  
1 1 1 7  1  7  o 48.821  0.3729 35.857  -178.3000 -0.10  2.83   1.48   0.53   
1 1 1 7  1  8  f 39.934  0.2072 60.769  -42.7000  0.03   0.31   0.13   -0.10  
1 1 1 7  1  9  o 34.276  1.0813 28.265  -160.1000 -7.26  14.53  1.92   2.43   
1 1 1 7  1  10 o 69.105  0.4762 63.815  65.300    3.54   2.65   -0.77  -1.47  
1 1 1 7  1  11 o 73.000  0.3197 72.447  83.700    -0.99  1.14   0.29   0.42   
1 1 1 7  1  12 f 50.692  0.2306 50.685  6.6000    -1.39  0.69   -0.72  0.34   
1 1 1 7  1  13 o 33.442  0.8751 28.234  -161.6000 -10.52 -0.43  -1.59  -0.24  
1 1 1 7  1  14 o 31.384  1.0914 33.695  143.200   -5.63  12.89  1.63   1.51   
1 1 1 7  1  15 o 16.429  0.1385 12.224  -8.7000   -0.01  -0.23  0.14   0.12   
1 1 1 7  1  16 o 34.721  0.2318 30.205  99.200    0.90   -0.47  -0.16  0.12   
1 1 1 7  1  17 o 5.4793  0.2334 3.5547  -168.1000 0.42   -1.10  0.37   0.28   
1 1 1 7  1  18 o 13.645  0.1622 15.632  131.800   0.07   -0.19  0.21   -0.10  
1 1 1 7  1  19 f 11.865  0.1698 10.206  -132.6000 0.12   -0.21  -0.38  0.14   
1 1 1 7  1  20 o 23.344  0.1607 20.922  -35.8000  0.40   0.19   -0.08  -0.00  
1 1 1 7  1  21 o 10.636  0.2349 11.899  10.200    0.86   -1.15  -0.06  0.44   
1 1 1 7  1  22 o 12.074  0.1937 8.1742  -84.7000  0.89   -0.67  1.37   0.83   
1 1 1 7  1  23 o 14.816  0.2462 14.356  -166.0000 -0.61  0.10   -0.07  -0.04  
1 1 1 7  1  24 o 9.5671  0.2656 9.7818  62.500    -0.35  -0.09  -0.01  -0.03  
1 1 1 7  1  25 o 17.157  0.1857 17.351  -158.3000 0.28   -1.40  -0.19  -0.49  
1 1 1 7  1  26 f 6.4200  0.4390 3.2011  114.600   -0.62  -0.42  0.20   0.25   
1 1 1 7  2  0  o 2.7019  0.0895 22.742  180.000   0.02   0.00   0.00   0.00   
1 1 1 7  2  1  o 69.840  0.3164 63.707  35.100    0.57   0.28   -0.13  0.02   
1 1 1 7  2  2  o 49.106  1.2267 39.542  -71.9000  8.77   -2.89  -1.94  0.94   
1 1 1 7  2  3  o 62.313  0.2760 39.910  -161.1000 -0.64  -0.08  0.25   0.13   
1 1 1 7  2  4  o 18.254  1.1792 28.610  42.300    6.75   5.08   -0.91  -2.17  
1 1 1 7  2  5  o 34.585  0.5762 36.141  157.300   -0.42  0.25   -0.00  0.03   
1 1 1 7  2  6  o 22.796  0.8762 23.717  157.600   -6.08  -0.71  -1.45  -0.19  
1 1 1 7  2  7  o 73.176  0.5385 70.050  117.500   0.26   -0.08  -0.01  0.00   
1 1 1 7  2  8  o 130.192 0.5327 134.051 -52.2000  -0.51  -1.27  -0.44  -0.93  
1 1 1 7  2  9  o 137.031 0.5550 127.921 -106.4000 -0.47  -0.51  -0.31  0.51   
1 1 1 7  2  10 o 94.758  0.3956 97.186  32.200    0.10   -0.00  0.01   -0.02  
1 1 1 7  2  11 o 21.769  0.4162 16.104  176.400   0.30   2.62   0.31   -0.09  
1 1 1 7  2  12 o 57.079  0.2575 62.571  172.800   -0.11  -0.21  0.09   0.07   
1 1 1 7  2  13 o 27.496  0.4782 28.225  -23.6000  3.31   -5.09  0.86   1.51   
1 1 1 7  2  14 o 43.352  0.5780 47.670  144.000   -7.52  -3.55  -1.46  -3.11  
1 1 1 7  2  15 o 30.504  0.3180 22.254  -89.3000  -0.28  -2.85  0.98   -0.51  
1 1 1 7  2  16 o 17.643  0.2043 22.267  -39.4000  0.66   1.30   0.20   -0.39  
1 1 1 7  2  17 o 18.782  0.2525 13.380  19.100    0.11   -1.97  0.57   0.17   
1 1 1 7  2  18 o 36.967  0.1895 36.676  142.100   0.48   0.06   0.04   0.34   
1 1 1 7  2  19 o 9.5649  0.5110 10.722  92.100    0.90   -1.06  0.01   0.09   
1 1 1 7  2  20 o 30.376  0.1744 30.385  -47.1000  0.81   -0.66  -0.60  -1.09  
1 1 1 7  2  21 o 14.092  0.1764 14.596  111.100   -1.26  2.25   -0.28  2.14   
1 1 1 7  2  22 o 7.3506  0.2811 7.8014  -104.5000 1.00   0.45   -0.19  -0.11  
1 1 1 7  2  23 o 11.068  0.2073 12.058  36.500    0.34   0.44   -0.14  -0.10  
1 1 1 7  2  24 o 14.741  0.1959 14.359  72.600    -0.14  0.24   -0.05  -0.04  
1 1 1 7  2  25 o 5.2184  0.4546 4.3553  120.500   -0.27  0.94   0.13   -0.00  
1 1 1 7  2  26 o 6.5149  0.6468 6.6317  -144.1000 -3.07  -0.33  -0.58  0.31   
1 1 1 7  3  0  o 59.064  0.4128 63.945  0.0000    0.28   0.00   0.00   0.00   
1 1 1 7  3  1  o 50.384  0.9850 37.880  -128.7000 -1.74  -4.20  0.69   -0.42  
1 1 1 7  3  2  o 88.574  0.6735 105.824 101.500   1.01   2.94   0.94   0.10   
1 1 1 7  3  3  o 25.856  0.1433 35.447  11.800    -0.57  0.34   1.63   -0.61  
1 1 1 7  3  4  o 40.512  0.5552 34.635  -151.0000 -3.93  1.02   -1.14  2.24   
1 1 1 7  3  5  o 31.781  0.4915 39.354  -143.3000 -1.60  -2.40  0.67   -0.85  
1 1 1 7  3  6  o 54.587  0.3051 64.988  -28.4000  -0.97  -0.70  0.23   -0.43  
1 1 1 7  3  7  o 91.417  0.3967 97.723  -153.7000 -0.21  -0.41  -0.07  -0.12  
1 1 1 7  3  8  o 68.414  1.2248 59.263  55.400    4.44   5.29   0.08   -0.92  
1 1 1 7  3  9  o 123.598 1.2977 96.347  -30.9000  -2.26  -9.07  1.60   -1.39  
1 1 1 7  3  10 o 40.718  0.4184 28.909  -98.7000  0.82   -2.35  0.32   0.30   
1 1 1 7  3  11 o 39.713  0.1890 36.463  -12.7000  0.03   0.15   0.09   0.35   
1 1 1 7  3  12 o 25.244  0.6055 31.294  153.000   -5.74  10.21  1.85   3.48   
1 1 1 7  3  13 o 54.604  0.2535 53.926  -159.5000 -0.02  0.47   0.09   -0.17  
1 1 1 7  3  14 o 21.135  0.2458 19.211  -104.4000 1.12   -1.79  0.22   0.88   
1 1 1 7  3  15 o 18.445  0.1767 18.446  -139.2000 -0.30  -0.08  -0.04  -0.01  
1 1 1 7  3  16 f 29.419  0.5036 19.665  -29.1000  6.99   -8.81  0.53   4.72   
1 1 1 7  3  17 o 36.372  0.1883 38.776  110.800   -0.43  0.03   -0.07  -0.04  
1 1 1 7  3  18 o 29.783  0.5389 24.895  -36.5000  -0.15  -3.40  0.38   -0.11  
1 1 1 7  3  19 o 22.205  0.3784 23.174  14.200    -0.11  2.33   0.40   0.17   
1 1 1 7  3  20 o 28.528  0.4124 26.439  -88.3000  3.90   -2.86  0.10   1.25   
1 1 1 7  3  21 o 8.4664  0.6860 8.3689  -50.9000  -1.40  -4.34  0.43   -0.40  
1 1 1 7  3  22 o 3.8583  0.5728 3.9501  -4.1000   -0.48  -2.08  0.35   -0.24  
1 1 1 7  3  23 o 9.2029  0.2968 11.161  -89.8000  0.42   0.05   -0.02  -0.03  
1 1 1 7  3  24 o 14.786  0.1988 13.252  -17.6000  -0.11  -0.14  -0.02  0.01   
1 1 1 7  3  25 o 9.9625  0.2946 10.770  -163.0000 -0.06  0.67   0.03   -0.13  
1 1 1 7  3  26 o 5.3142  0.5378 6.1991  -38.2000  -0.03  0.09   -0.00  -0.00  
1 1 1 7  4  0  o 47.819  0.3488 37.722  -180.0000 0.15   0.00   0.00   0.00   
1 1 1 7  4  1  o 17.736  0.4833 21.337  22.600    2.09   1.81   -0.31  -1.04  
1 1 1 7  4  2  o 57.201  0.4435 62.560  145.000   -0.73  0.79   -0.11  0.19   
1 1 1 7  4  3  o 78.935  0.3400 61.647  83.000    -1.53  -0.13  0.12   0.61   
1 1 1 7  4  4  o 21.615  0.1796 18.739  137.500   0.24   -0.23  -0.11  0.08   
1 1 1 7  4  5  o 53.013  0.7183 47.658  -164.7000 -5.33  2.01   -1.06  1.92   
1 1 1 7  4  6  o 20.728  1.1458 13.017  -54.4000  10.03  -6.07  -1.62  2.62   
1 1 1 7  4  7  o 29.790  0.9252 21.763  -166.7000 -3.70  -9.00  1.69   -1.87  
1 1 1 7  4  8  f 59.160  0.2604 56.380  60.300    0.62   0.04   -0.20  0.05   
1 1 1 7  4  9  o 46.289  0.3717 39.718  -171.0000 -2.05  2.09   -0.08  0.93   
1 1 1 7  4  10 o 60.184  0.4997 45.365  151.500   -4.70  -0.61  -1.35  -0.56  
1 1 1 7  4  11 o 21.931  0.3664 12.213  -166.1000 -7.86  -3.87  -3.24  -4.77  
1 1 1 7  4  12 o 51.725  0.2406 57.234  -135.4000 -0.48  0.23   0.38   0.45   
1 1 1 7  4  13 o 53.100  0.2459 68.303  91.000    -0.35  1.16   -2.90  1.56   
1 1 1 7  4  14 o 16.090  0.3965 10.835  -16.7000  2.21   4.04   0.99   -1.26  
1 1 1 7  4  15 f 16.681  0.2336 10.880  13.200    -1.44  1.45   0.19   0.94   
1 1 1 7  4  16 o 24.451  0.2775 25.657  -49.3000  2.43   1.29   -0.37  -0.81  
1 1 1 7  4  17 o 22.884  0.3415 20.300  -147.4000 -3.78  2.47   -0.42  1.65   
1 1 1 7  4  18 o 22.714  0.2799 19.094  51.500    1.92   1.14   -0.43  -0.44  
1 1 1 7  4  19 o 22.440  0.3560 19.619  130.100   1.50   1.85   0.25   -0.44  
1 1 1 7  4  20 o 27.159  0.1731 27.772  -136.4000 -1.00  -0.58  -0.60  0.03   
1 1 1 7  4  21 o 13.196  0.1818 11.653  -36.7000  -0.12  -0.04  0.05   0.01   
1 1 1 7  4  22 o 14.435  0.1714 13.275  -124.0000 -0.02  -0.42  0.06   0.16   
1 1 1 7  4  23 o 4.1101  0.4781 5.3070  -119.8000 0.05   -0.13  0.01   -0.05  
1 1 1 7  4  24 o 13.201  0.2329 12.572  31.300    0.73   1.37   0.42   -0.05  
1 1 1 7  4  25 o 5.4481  0.3853 4.8641  -158.9000 0.24   -0.29  0.02   0.02   
1 1 1 7  4  26 o 8.7067  0.4432 9.2285  -16.0000  -0.58  -0.77  -0.12  -0.05  
1 1 1 7  5  0  o 77.600  0.6600 56.780  -0.0000   0.02   0.00   0.00   0.00   
1 1 1 7  5  1  o 67.230  0.3201 63.356  -41.1000  0.01   0.99   -1.29  -0.20  
1 1 1 7  5  2  o 29.165  0.1718 29.650  -75.6000  0.75   -0.38  -0.77  -0.22  
1 1 1 7  5  3  o 32.599  1.4890 19.720  -29.1000  9.78   -4.31  -1.95  1.49   
1 1 1 7  5  4  o 12.556  0.1701 12.275  -48.7000  -0.60  -0.02  -0.44  -0.32  
1 1 1 7  5  5  o 21.719  0.4812 32.405  75.900    2.48   1.72   -0.61  -1.02  
1 1 1 7  5  6  o 15.573  0.4858 9.8787  156.500   -2.34  -1.35  -0.35  -0.83  
1 1 1 7  5  7  o 59.041  0.8842 43.903  165.000   -0.08  1.31   0.06   0.02   
1 1 1 7  5  8  o 45.575  0.2263 14.111  82.900    0.05   0.00   0.06   0.04   
1 1 1 7  5  9  o 69.166  0.5496 69.267  -161.2000 -3.80  -2.57  -0.72  -1.23  
1 1 1 7  5  10 o 73.853  0.3153 54.201  -117.9000 0.18   0.17   0.10   -0.06  
1 1 1 7  5  11 o 64.675  0.2863 73.993  148.000   0.82   2.27   0.72   -1.51  
1 1 1 7  5  12 o 28.776  0.1535 26.182  -88.8000  0.68   0.07   -0.84  -1.13  
1 1 1 7  5  13 o 16.218  0.1427 19.829  7.8000    0.35   -0.81  0.27   0.20   
1 1 1 7  5  14 o 23.870  0.5339 22.468  -57.3000  4.12   0.14   -0.77  -0.15  
1 1 1 7  5  15 o 12.382  0.3561 18.670  59.000    1.29   1.22   0.01   -0.32  
1 1 1 7  5  16 o 19.177  0.1881 20.081  -138.4000 -0.00  0.08   0.00   -0.00  
1 1 1 7  5  17 o 6.6774  0.2066 2.1905  10.600    -0.02  0.21   0.12   -0.01  
1 1 1 7  5  18 o 14.870  0.1467 12.174  -135.7000 -0.05  -0.05  0.04   0.01   
1 1 1 7  5  19 o 25.778  0.1613 26.806  -44.6000  -0.42  0.23   -0.22  -0.08  
1 1 1 7  5  20 o 23.221  0.1788 22.563  -126.6000 -0.30  0.26   0.14   -0.16  
1 1 1 7  5  21 o 17.960  0.1722 19.169  -8.4000   0.33   -0.63  -0.24  0.26   
1 1 1 7  5  22 o 10.442  0.2114 10.274  -159.3000 -0.56  -0.23  -0.38  0.10   
1 1 1 7  5  23 o 6.7935  0.2963 7.2334  -25.8000  -0.01  -0.13  -0.03  0.03   
1 1 1 7  5  24 f 10.430  0.3021 11.573  -156.3000 0.92   -1.15  -0.13  0.27   
1 1 1 7  5  25 o 12.403  0.3341 12.246  -132.1000 -1.21  -1.46  0.41   -0.16  
1 1 1 7  5  26 o 10.391  0.3213 11.347  -20.0000  1.02   -0.47  -0.18  -0.21  
1 1 1 7  6  0  o 22.727  0.2006 4.3493  -179.5000 0.06   0.00   0.00   0.00   
1 1 1 7  6  1  o 66.481  1.0757 51.018  36.900    4.65   -1.35  -1.10  -0.04  
1 1 1 7  6  2  o 45.271  0.7185 24.488  -40.0000  -3.14  -2.17  0.21   -1.33  
1 1 1 7  6  3  o 64.315  0.7431 25.995  146.000   -1.08  1.86   -0.10  0.39   
1 1 1 7  6  4  o 48.071  0.2231 64.396  147.900   -0.04  0.35   -0.06  -0.11  
1 1 1 7  6  5  o 23.260  0.1670 22.212  -13.8000  0.20   -0.43  0.03   0.23   
1 1 1 7  6  6  o 68.856  0.5150 72.175  29.300    3.94   -2.55  0.76   2.90   
1 1 1 7  6  7  o 80.620  0.3442 70.310  -174.8000 -0.12  0.26   0.06   -0.17  
1 1 1 7  6  8  o 75.393  0.3258 69.003  145.100   -0.42  -0.12  0.04   -0.43  
1 1 1 7  6  9  o 68.957  0.8434 58.870  50.000    11.94  -2.53  -3.87  2.21   
1 1 1 7  6  10 o 13.844  0.1313 11.670  29.400    -0.39  1.75   1.66   0.64   
1 1 1 7  6  11 o 34.780  0.1778 35.092  176.100   0.06   -0.31  -0.14  1.25   
1 1 1 7  6  12 o 28.059  0.5759 29.670  -132.9000 -4.16  -1.10  -0.57  -0.27  
1 1 1 7  6  13 o 46.022  0.4228 37.667  -63.2000  5.07   -0.51  -1.92  -0.12  
1 1 1 7  6  14 o 23.487  0.1718 30.356  76.200    -1.79  -0.58  -1.50  -0.41  
1 1 1 7  6  15 f 30.262  0.1781 35.485  -43.7000  -0.13  -0.02  0.03   -0.06  
1 1 1 7  6  16 o 33.781  0.4207 37.024  -143.7000 -2.67  1.32   -0.54  0.40   
1 1 1 7  6  17 o 31.279  0.2879 32.236  105.800   1.51   1.71   -0.12  -0.65  
1 1 1 7  6  18 o 25.400  0.4420 28.450  59.800    -0.77  0.33   -0.03  0.02   
1 1 1 7  6  19 o 8.9776  0.5065 9.9239  141.800   -1.04  -0.10  -0.05  -0.01  
1 1 1 7  6  20 o 11.214  0.2043 10.021  -154.9000 -0.46  0.15   0.15   0.45   
1 1 1 7  6  21 o 18.662  0.1869 21.595  -37.4000  -0.49  -0.29  0.40   0.13   
1 1 1 7  6  22 o 12.011  0.2130 9.5194  -39.7000  -0.32  -0.12  0.28   -0.07  
1 1 1 7  6  23 o 11.889  0.1996 12.026  -117.5000 -0.83  -0.88  -1.12  -0.02  
1 1 1 7  6  24 o 16.669  0.1883 16.084  -71.2000  0.50   -0.29  0.08   -0.22  
1 1 1 7  6  25 o 7.7516  0.4927 7.5465  114.100   -0.45  0.12   -0.02  -0.00  
1 1 1 7  6  26 o 5.4134  1.0405 5.0980  -6.4000   -2.07  -0.24  -0.15  -0.14  
1 1 1 7  7  0  o 72.432  0.8791 74.831  180.000   -0.05  0.00   0.00   0.00   
1 1 1 7  7  1  o 19.960  0.1886 22.636  89.900    -0.00  -0.25  0.00   0.00   
1 1 1 7  7  2  o 15.592  0.1398 46.188  0.0000    -0.18  0.00   0.00   0.00   
1 1 1 7  7  3  o 49.726  0.3187 46.648  90.000    0.00   0.25   0.00   0.00   
1 1 1 7  7  4  o 16.331  0.1426 8.3652  0.2000    -0.03  0.00   0.00   0.00   
1 1 1 7  7  5  o 16.242  0.1766 11.007  -89.8000  0.00   0.10   0.00   0.00   
1 1 1 7  7  6  o 143.482 0.8346 160.973 180.000   0.28   0.00   0.00   0.00   
1 1 1 7  7  7  o 85.275  0.5320 60.590  -90.0000  0.00   0.44   0.00   0.00   
1 1 1 7  7  8  o 31.081  0.2204 62.630  180.000   0.02   0.00   0.00   0.00   
1 1 1 7  7  9  o 21.753  0.1756 15.927  90.000    -0.00  -0.01  0.00   0.00   
1 1 1 7  7  10 o 45.673  0.2915 46.080  -180.0000 0.08   0.00   0.00   0.00   
1 1 1 7  7  11 o 18.620  0.1966 15.783  90.100    -0.00  -0.09  0.00   0.00   
1 1 1 7  7  12 o 32.393  0.2633 28.143  180.000   -0.00  0.00   0.00   0.00   
1 1 1 7  7  13 f 32.926  0.2472 30.278  -90.0000  -0.00  -0.01  0.00   0.00   
1 1 1 7  7  14 o 23.264  0.2677 31.077  -0.1000   0.34   0.00   0.00   0.00   
1 1 1 7  7  15 o 34.069  0.2737 29.413  90.100    -0.00  -0.25  0.00   0.00   
1 1 1 7  7  16 o 32.804  0.2556 27.605  -0.0000   -0.03  0.00   0.00   0.00   
1 1 1 7  7  17 o 8.8713  0.2520 7.3075  90.000    -0.00  -0.05  0.00   0.00   
1 1 1 7  7  18 o 48.231  0.3141 45.885  -180.0000 -0.87  0.00   0.00   0.00   
1 1 1 7  7  19 f 15.162  0.2306 16.937  -90.1000  0.00   0.30   0.00   0.00   
1 1 1 7  7  20 o 20.748  0.2406 19.104  -180.0000 -0.20  0.00   0.00   0.00   
1 1 1 7  7  21 o 10.597  0.3071 6.3194  90.000    0.00   0.30   0.00   0.00   
1 1 1 7  7  22 o 29.764  0.2730 31.600  180.000   -1.13  0.00   0.00   0.00   
1 1 1 7  7  23 o 11.005  0.3049 12.202  90.000    0.00   0.01   0.00   0.00   
1 1 1 7  7  24 o 14.160  0.3143 18.996  180.000   -0.30  0.00   0.00   0.00   
1 1 1 7  7  25 o 14.595  0.3707 14.749  -90.0000  -0.00  -0.20  0.00   0.00   
1 1 1 7  7  26 o 8.9554  0.5759 9.0929  -0.0000   0.20   0.00   0.00   0.00   
1 1 1 8  0  0  o 69.765  0.6842 74.444  -180.0000 0.50   0.00   0.00   0.00   
1 1 1 8  0  1  o 84.129  0.5016 98.998  -45.0000  -0.09  0.09   0.00   0.00   
1 1 1 8  0  2  o 77.730  0.4763 78.576  -90.0000  0.00   0.93   0.00   0.00   
1 1 1 8  0  3  o 25.952  0.2083 9.5605  45.100    -0.30  -0.30  0.00   0.00   
1 1 1 8  0  4  o 26.444  0.2008 28.193  0.1000    -0.00  0.00   0.00   0.00   
1 1 1 8  0  5  o 39.305  0.2854 20.586  135.000   -0.31  0.31   0.00   0.00   
1 1 1 8  0  6  o 25.589  0.1939 16.759  90.200    -0.00  -0.14  0.00   0.00   
1 1 1 8  0  7  o 47.200  0.3220 61.519  45.000    0.02   0.02   0.00   0.00   
1 1 1 8  0  8  o 40.788  0.3295 32.100  180.000   -0.21  0.00   0.00   0.00   
1 1 1 8  0  9  o 12.518  0.1694 0.5781  -46.7000  0.01   -0.01  0.00   0.00   
1 1 1 8  0  10 o 47.495  0.3687 48.288  -90.1000  -0.00  -0.07  0.00   0.00   
1 1 1 8  0  11 o 115.230 0.6871 110.531 -135.0000 0.14   0.14   0.00   0.00   
1 1 1 8  0  12 o 67.355  0.4080 63.104  0.0000    0.36   0.00   0.00   0.00   
1 1 1 8  0  13 o 43.262  0.3224 43.812  135.100   -0.03  0.03   0.00   0.00   
1 1 1 8  0  14 o 36.133  0.3318 34.825  90.000    0.00   0.12   0.00   0.00   
1 1 1 8  0  15 o 9.8387  0.1894 2.2526  45.900    -0.02  -0.02  0.00   0.00   
1 1 1 8  0  16 o 20.357  0.1970 28.978  -0.0000   0.02   0.00   0.00   0.00   
1 1 1 8  0  17 o 9.3059  0.2612 0.1105  -69.2000  0.05   -0.05  0.00   0.00   
1 1 1 8  0  18 o 76.524  0.4611 75.568  -90.0000  -0.00  -0.88  0.00   0.00   
1 1 1 8  0  19 o 9.1049  0.2459 8.0055  45.100    0.04   0.04   0.00   0.00   
1 1 1 8  0  20 o 32.294  0.2809 34.619  -180.0000 -0.24  0.00   0.00   0.00   
1 1 1 8  0  21 o 15.209  0.2554 18.854  -45.0000  -0.21  0.21   0.00   0.00   
1 1 1 8  0  22 o 14.110  0.2643 9.3044  90.000    -0.00  -0.19  0.00   0.00   
1 1 1 8  0  23 o 18.684  0.2872 15.450  -135.0000 -0.46  -0.46  0.00   0.00   
1 1 1 8  0  24 o 4.2190  0.6237 3.7414  -180.0000 0.07   0.00   0.00   0.00   
1 1 1 8  0  25 o 18.174  0.3004 20.369  -45.0000  -0.52  0.52   0.00   0.00   
1 1 1 8  0  26 o 3.8079  0.9270 3.6544  90.000    0.00   0.07   0.00   0.00   
1 1 1 8  1  0  f 40.004  0.3014 32.685  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 8  1  1  o 65.476  0.5043 56.563  142.300   -1.36  0.73   0.02   0.36   
1 1 1 8  1  2  o 34.908  0.1692 47.036  11.500    -0.06  -0.20  -0.23  -0.04  
1 1 1 8  1  3  o 48.541  0.2655 44.139  -36.0000  0.22   -0.24  -0.05  0.01   
1 1 1 8  1  4  o 19.302  0.6056 19.096  -54.4000  0.76   -1.53  0.14   0.34   
1 1 1 8  1  5  o 62.376  0.7978 58.082  140.400   -1.86  -0.10  -0.19  0.06   
1 1 1 8  1  6  o 73.768  0.5029 63.135  -119.0000 -1.24  -1.79  0.60   -0.30  
1 1 1 8  1  7  o 18.705  0.1237 34.312  -107.3000 0.12   -0.07  -0.01  0.05   
1 1 1 8  1  8  o 71.195  0.6799 73.916  -51.3000  0.14   -2.87  0.52   -0.04  
1 1 1 8  1  9  o 87.076  0.3698 75.142  62.200    1.28   -0.27  -0.37  2.25   
1 1 1 8  1  10 o 79.673  0.3309 82.801  18.100    0.44   0.09   0.28   0.95   
1 1 1 8  1  11 o 65.434  1.1950 66.561  95.800    6.76   13.66  1.47   -2.33  
1 1 1 8  1  12 o 38.978  0.1894 39.602  4.0000    -0.53  -0.85  0.24   -0.24  
1 1 1 8  1  13 o 46.367  0.2153 48.362  100.200   -0.12  0.68   -1.41  -1.50  
1 1 1 8  1  14 o 40.895  0.2117 37.060  -91.9000  -0.06  -0.50  -0.81  -0.35  
1 1 1 8  1  15 o 29.410  0.3212 34.103  -23.6000  0.56   -0.36  -0.01  0.06   
1 1 1 8  1  16 o 43.283  0.2074 39.038  -128.2000 0.65   0.36   0.16   -0.42  
1 1 1 8  1  17 o 26.068  0.2254 25.426  119.900   -2.24  -0.84  -1.13  -0.47  
1 1 1 8  1  18 o 9.4978  0.2596 4.9635  69.400    1.46   0.04   -0.35  0.03   
1 1 1 8  1  19 o 33.559  0.1795 31.054  -70.6000  -0.26  -1.23  -0.66  -1.12  
1 1 1 8  1  20 f 14.465  0.1651 17.237  -31.5000  -0.40  0.98   0.59   0.10   
1 1 1 8  1  21 o 27.385  0.1773 29.528  -169.4000 -0.86  -0.59  -0.10  0.75   
1 1 1 8  1  22 o 12.045  0.2012 9.3975  -124.1000 -0.60  -0.45  0.21   -0.30  
1 1 1 8  1  23 o 15.709  0.1918 12.698  -34.1000  -0.19  -1.08  -0.26  0.82   
1 1 1 8  1  24 o 20.448  0.5311 20.917  -149.1000 -4.42  -1.09  -0.69  0.03   
1 1 1 8  1  25 o 14.820  0.2348 15.538  -167.2000 -0.59  -0.88  0.18   0.05   
1 1 1 8  1  26 o 10.231  0.3516 8.8524  121.700   0.46   -0.10  0.04   0.04   
1 1 1 8  2  0  o 73.546  0.4413 66.378  -0.0000   -0.60  0.00   0.00   0.00   
1 1 1 8  2  1  o 72.050  0.3054 51.828  140.700   -0.29  0.65   0.06   -0.50  
1 1 1 8  2  2  o 50.404  0.5412 63.349  -2.7000   1.90   2.46   -0.21  -1.21  
1 1 1 8  2  3  o 21.161  0.9876 14.360  134.100   -0.20  -3.77  0.68   0.04   
1 1 1 8  2  4  o 31.743  1.8555 28.167  29.300    12.88  2.70   -2.03  -1.24  
1 1 1 8  2  5  o 46.657  0.7151 25.562  100.300   -3.20  2.55   0.07   1.10   
1 1 1 8  2  6  f 65.799  0.2919 58.164  120.000   -0.51  0.07   -0.02  0.09   
1 1 1 8  2  7  f 26.194  0.2053 28.124  -8.9000   0.09   -0.05  -0.00  0.00   
1 1 1 8  2  8  o 112.627 0.4727 77.232  80.700    2.17   0.25   -1.88  1.70   
1 1 1 8  2  9  o 78.276  0.4982 77.865  168.700   -1.96  0.57   -0.38  0.14   
1 1 1 8  2  10 o 52.597  0.8116 57.983  -110.1000 -3.45  -8.77  1.34   -1.43  
1 1 1 8  2  11 o 64.612  0.3912 62.501  146.700   -2.80  -1.72  -0.24  -1.08  
1 1 1 8  2  12 f 40.329  0.7920 36.622  101.300   -6.63  12.83  2.81   3.29   
1 1 1 8  2  13 o 16.904  0.3352 10.774  40.400    1.86   1.14   -0.14  -0.34  
1 1 1 8  2  14 o 19.422  0.1371 24.359  -40.0000  0.03   0.36   0.36   0.27   
1 1 1 8  2  15 o 31.725  0.5499 25.770  59.900    1.94   4.13   0.76   -0.63  
1 1 1 8  2  16 o 27.753  0.1531 22.171  -152.4000 0.05   1.02   0.63   0.23   
1 1 1 8  2  17 o 11.419  0.2514 14.481  64.100    -0.23  -1.28  0.28   -0.07  
1 1 1 8  2  18 o 13.602  0.2799 13.175  20.800    0.50   2.20   0.53   -0.37  
1 1 1 8  2  19 f 7.3409  0.2113 4.3689  71.300    -0.01  -0.14  0.05   -0.13  
1 1 1 8  2  20 o 28.631  0.4247 27.631  115.000   -4.67  1.08   -1.14  0.10   
1 1 1 8  2  21 o 19.450  0.1842 19.100  -107.7000 0.29   0.11   0.01   0.11   
1 1 1 8  2  22 o 11.754  0.2215 11.313  -147.3000 -0.15  -1.27  0.36   0.10   
1 1 1 8  2  23 o 11.992  0.4925 10.689  50.400    1.75   3.89   0.33   -0.88  
1 1 1 8  2  24 o 5.4347  0.3820 3.8002  -164.8000 -0.25  0.71   0.10   0.02   
1 1 1 8  2  25 f 6.9715  0.3264 5.6967  -114.0000 -0.88  -1.00  1.05   0.31   
1 1 1 8  2  26 o 8.8249  0.3776 7.3253  -177.1000 -0.30  0.44   -0.08  -0.02  
1 1 1 8  3  0  o 35.161  0.2471 31.531  -0.1000   -0.00  0.00   0.00   0.00   
1 1 1 8  3  1  o 12.761  0.2176 8.8763  -142.6000 0.53   -1.87  2.47   0.83   
1 1 1 8  3  2  o 54.420  0.8196 70.030  114.100   -1.00  -0.51  -0.09  -0.03  
1 1 1 8  3  3  o 21.334  0.1177 26.637  -172.9000 -0.11  -0.45  -0.39  1.17   
1 1 1 8  3  4  o 66.209  0.4122 72.893  -138.9000 -0.61  -0.88  -0.20  -0.15  
1 1 1 8  3  5  f 19.084  0.5925 21.417  -98.3000  -0.61  -2.16  0.39   -0.17  
1 1 1 8  3  6  o 25.205  0.5099 17.723  -124.4000 -3.02  -1.95  -0.34  -1.51  
1 1 1 8  3  7  o 47.269  0.9151 35.212  -8.9000   8.67   -6.88  -0.48  3.75   
1 1 1 8  3  8  o 57.235  1.0215 44.245  -69.8000  10.29  -4.37  -1.98  2.40   
1 1 1 8  3  9  o 60.650  0.2759 64.324  -157.4000 -1.78  -2.42  1.66   -2.50  
1 1 1 8  3  10 o 32.569  0.3953 26.903  150.700   -2.90  5.32   1.31   2.36   
1 1 1 8  3  11 f 40.748  0.1919 27.648  -154.7000 0.03   0.05   0.02   0.05   
1 1 1 8  3  12 o 14.260  0.1300 21.180  -117.5000 -0.18  0.26   0.88   0.56   
1 1 1 8  3  13 o 47.178  0.2279 47.161  -165.9000 0.28   -1.51  1.75   -1.23  
1 1 1 8  3  14 o 23.394  0.3719 20.146  -177.5000 -5.75  1.82   -2.54  2.54   
1 1 1 8  3  15 o 47.788  0.6422 48.563  16.500    2.51   0.51   -0.21  -0.16  
1 1 1 8  3  16 o 45.150  0.2143 32.491  101.700   1.17   -1.05  -0.54  0.45   
1 1 1 8  3  17 o 11.582  0.5944 11.496  148.000   0.31   4.25   0.51   -0.10  
1 1 1 8  3  18 o 13.799  0.2248 13.807  -100.8000 -0.33  -0.35  -0.01  -0.04  
1 1 1 8  3  19 o 28.598  0.4053 30.629  -170.6000 -1.85  -0.64  -0.14  -0.23  
1 1 1 8  3  20 o 17.216  0.1855 14.369  44.200    0.11   0.51   -0.20  0.57   
1 1 1 8  3  21 o 14.270  0.1659 15.250  69.100    0.37   0.35   0.48   0.15   
1 1 1 8  3  22 o 24.419  0.1736 23.687  125.900   -0.23  -0.17  0.01   -0.02  
1 1 1 8  3  23 o 18.782  0.4520 21.064  178.500   -0.58  2.04   0.25   -0.01  
1 1 1 8  3  24 o 15.888  0.2080 14.490  99.700    -0.12  0.49   0.00   0.04   
1 1 1 8  3  25 f 4.6631  0.4310 2.3916  -6.9000   0.25   0.42   0.04   -0.02  
1 1 1 8  3  26 f 5.5904  0.4740 2.0778  8.6000    -0.37  0.28   0.00   -0.14  
1 1 1 8  4  0  o 5.5946  0.0880 15.498  179.900   -0.02  0.00   0.00   0.00   
1 1 1 8  4  1  o 38.870  1.3525 25.534  56.300    -3.85  7.22   0.86   0.99   
1 1 1 8  4  2  o 15.976  0.1262 6.6508  -40.3000  0.50   -0.31  -0.79  0.16   
1 1 1 8  4  3  o 23.854  0.4339 26.035  36.700    2.17   1.03   -1.28  -0.62  
1 1 1 8  4  4  o 79.013  0.4726 86.445  -43.1000  -0.06  -0.70  0.00   -0.08  
1 1 1 8  4  5  o 69.970  0.6277 88.846  -60.5000  -0.24  -2.67  0.49   -0.46  
1 1 1 8  4  6  o 50.631  0.5559 53.801  -178.7000 -1.49  -0.55  -0.26  -0.08  
1 1 1 8  4  7  o 49.765  0.2356 78.396  37.400    0.08   0.19   0.03   -0.01  
1 1 1 8  4  8  o 52.669  0.6569 53.636  -90.7000  2.38   -0.33  -0.31  0.12   
1 1 1 8  4  9  o 94.126  0.4525 81.422  76.200    0.66   -0.41  -0.06  0.06   
1 1 1 8  4  10 o 28.609  0.5864 18.951  -143.4000 -9.26  -1.56  -2.57  -1.00  
1 1 1 8  4  11 f 82.166  0.3429 85.336  134.400   -0.71  0.27   -0.04  0.13   
1 1 1 8  4  12 o 31.081  0.1605 23.058  -39.9000  0.19   0.18   0.09   -0.12  
1 1 1 8  4  13 o 21.454  0.1949 17.902  -91.2000  -0.91  1.16   0.03   0.56   
1 1 1 8  4  14 o 6.9064  0.3155 1.8716  -117.9000 0.04   -1.42  0.27   -0.00  
1 1 1 8  4  15 o 14.893  0.4646 19.302  -167.3000 -3.40  -0.54  -0.68  -0.16  
1 1 1 8  4  16 o 61.670  0.3751 58.092  137.100   -0.09  0.74   0.06   -0.03  
1 1 1 8  4  17 o 21.229  0.3633 23.653  100.100   3.88   2.45   -0.86  -1.29  
1 1 1 8  4  18 f 14.020  0.1614 21.916  -93.7000  1.06   -0.52  -0.40  0.29   
1 1 1 8  4  19 o 15.594  0.1987 10.571  129.900   -0.11  0.74   0.27   -0.07  
1 1 1 8  4  20 o 10.200  0.1948 14.934  -2.0000   -0.21  0.38   0.21   0.04   
1 1 1 8  4  21 o 7.8557  0.2543 7.1054  76.500    -0.29  -0.33  -0.01  -0.04  
1 1 1 8  4  22 o 11.099  0.2086 10.855  70.200    -0.06  0.37   0.02   0.15   
1 1 1 8  4  23 o 17.216  0.1845 16.530  73.200    0.89   -0.38  0.40   0.21   
1 1 1 8  4  24 o 7.9647  0.2805 6.0315  69.100    -0.20  0.07   -0.03  -0.03  
1 1 1 8  4  25 o 5.9705  0.6235 7.1171  10.900    -0.25  0.02   -0.00  -0.00  
1 1 1 8  4  26 o 10.062  0.3963 9.1546  -66.3000  0.48   -0.57  0.09   -0.11  
1 1 1 8  5  0  o 43.651  0.3184 49.021  -0.0000   0.02   0.00   0.00   0.00   
1 1 1 8  5  1  o 27.274  1.4846 20.229  -36.3000  12.27  0.50   -3.16  0.20   
1 1 1 8  5  2  o 12.380  0.7155 34.585  115.500   -1.34  -1.48  -0.01  -0.35  
1 1 1 8  5  3  o 56.474  0.2525 38.452  -104.9000 0.13   -0.42  -0.13  -0.11  
1 1 1 8  5  4  o 30.185  0.4929 14.663  95.000    -0.42  0.93   0.05   0.19   
1 1 1 8  5  5  f 44.314  0.7727 48.409  -77.1000  -4.48  -5.33  -0.22  -2.68  
1 1 1 8  5  6  o 23.968  0.6320 18.903  -86.9000  2.08   -5.15  1.14   1.25   
1 1 1 8  5  7  o 51.178  0.2898 64.154  141.700   -1.33  0.78   -0.11  0.73   
1 1 1 8  5  8  o 68.886  0.5633 53.413  -123.7000 -2.39  -0.95  -0.35  -0.48  
1 1 1 8  5  9  o 70.321  0.9726 70.434  145.300   -1.21  8.56   1.61   0.31   
1 1 1 8  5  10 o 34.636  0.3532 27.266  24.500    0.19   4.21   1.58   -0.02  
1 1 1 8  5  11 o 15.575  0.4801 18.741  -40.4000  -1.39  -6.98  1.54   -0.69  
1 1 1 8  5  12 o 16.557  0.1507 18.147  -61.4000  -0.22  0.00   -0.34  0.31   
1 1 1 8  5  13 o 46.637  0.2190 57.052  147.300   0.00   0.00   0.00   0.00   
1 1 1 8  5  14 f 12.204  0.3951 4.1063  -45.7000  0.81   0.29   -0.05  -0.03  
1 1 1 8  5  15 o 50.341  0.3375 52.704  166.500   -1.06  0.90   -0.18  0.21   
1 1 1 8  5  16 o 21.427  0.2562 22.220  -77.3000  1.42   0.75   -0.16  -0.43  
1 1 1 8  5  17 o 18.296  0.1482 16.828  83.700    0.09   -0.41  -0.47  0.97   
1 1 1 8  5  18 o 24.390  0.2538 25.356  -68.4000  0.33   -1.19  0.15   0.17   
1 1 1 8  5  19 o 24.563  0.5095 22.871  -124.8000 -4.08  -5.77  1.07   -1.63  
1 1 1 8  5  20 o 9.4053  0.2724 3.3681  59.700    1.37   -0.14  -0.32  -0.03  
1 1 1 8  5  21 o 6.7485  0.2885 5.6330  -27.7000  0.26   -0.20  0.25   0.14   
1 1 1 8  5  22 o 9.0499  0.2214 6.6596  -174.6000 0.41   -0.32  0.09   0.17   
1 1 1 8  5  23 o 12.767  0.1943 13.075  161.700   -1.24  0.17   -0.34  -0.27  
1 1 1 8  5  24 o 28.093  0.2052 28.342  -130.8000 -0.07  0.63   -0.08  -0.04  
1 1 1 8  5  25 o 5.7697  0.3685 5.4587  22.200    0.24   0.24   -0.08  0.01   
1 1 1 8  5  26 o 16.712  0.2861 18.001  -162.3000 0.50   -0.29  0.00   -0.06  
1 1 1 8  6  0  o 30.772  0.2514 8.6319  179.800   -0.50  0.00   0.00   0.00   
1 1 1 8  6  1  o 80.323  1.1814 77.256  35.100    2.04   1.67   0.14   -0.25  
1 1 1 8  6  2  o 49.370  0.2225 63.516  86.700    0.62   0.02   0.00   0.24   
1 1 1 8  6  3  o 64.596  1.3081 73.051  -8.4000   5.53   -0.80  -0.71  0.64   
1 1 1 8  6  4  o 19.022  0.1610 21.132  50.600    0.60   -0.30  -0.09  0.48   
1 1 1 8  6  5  o 15.447  0.1722 30.139  -129.9000 -0.47  0.28   -0.05  0.28   
1 1 1 8  6  6  o 64.604  0.3200 79.021  -157.1000 0.36   0.58   0.11   -0.08  
1 1 1 8  6  7  o 72.061  0.3111 92.105  -20.4000  0.60   -0.48  1.80   -1.05  
1 1 1 8  6  8  o 32.581  1.0699 20.978  -127.0000 -5.34  -5.02  -0.09  -0.96  
1 1 1 8  6  9  o 27.850  0.6647 41.163  59.800    3.30   10.42  2.82   -1.86  
1 1 1 8  6  10 o 15.304  0.6071 14.362  -72.0000  11.56  -15.47 2.44   8.79   
1 1 1 8  6  11 o 67.996  0.2948 57.850  -136.5000 0.16   -0.06  -0.04  -0.01  
1 1 1 8  6  12 o 17.859  0.4118 14.967  61.000    3.61   1.32   -0.63  -0.47  
1 1 1 8  6  13 o 16.213  0.4094 20.595  -43.4000  -4.21  -5.71  0.99   -2.58  
1 1 1 8  6  14 o 14.532  0.2977 14.303  134.100   -1.37  -1.03  -0.06  -0.33  
1 1 1 8  6  15 o 15.415  0.2541 7.1111  152.800   0.14   2.88   1.58   -0.43  
1 1 1 8  6  16 o 32.210  0.2120 28.270  152.700   -0.97  -0.43  -0.07  -0.31  
1 1 1 8  6  17 f 16.791  0.4237 17.037  103.800   0.52   4.37   1.05   -0.40  
1 1 1 8  6  18 o 14.628  0.3179 11.929  103.800   -2.62  3.65   0.28   2.07   
1 1 1 8  6  19 f 14.490  0.2857 14.900  170.900   -0.05  -0.06  0.00   -0.00  
1 1 1 8  6  20 o 32.350  0.1918 33.010  49.500    0.51   -0.07  0.03   0.10   
1 1 1 8  6  21 f 21.877  0.2749 21.657  -147.1000 -0.46  -0.50  -0.04  -0.05  
1 1 1 8  6  22 o 15.051  0.1794 13.276  29.100    -0.19  -0.68  -0.46  -0.53  
1 1 1 8  6  23 o 14.909  0.1765 15.690  176.500   -0.55  -0.34  -0.18  0.29   
1 1 1 8  6  24 o 9.2483  0.2672 8.9177  -35.4000  -0.03  0.01   0.00   -0.00  
1 1 1 8  6  25 o 5.9650  0.4759 5.7118  86.300    0.31   0.39   0.06   -0.01  
1 1 1 8  6  26 o 10.056  0.3311 10.269  151.300   0.82   -0.17  -0.05  -0.09  
1 1 1 8  7  0  o 50.468  0.3551 57.467  180.000   0.04   0.00   0.00   0.00   
1 1 1 8  7  1  o 40.950  0.2702 36.878  -48.2000  -0.65  -0.34  0.14   -0.22  
1 1 1 8  7  2  o 6.5384  0.2439 5.5346  -110.9000 -0.19  -0.45  0.14   -0.10  
1 1 1 8  7  3  o 22.567  0.1299 24.190  -105.8000 0.02   -0.27  -0.10  0.25   
1 1 1 8  7  4  o 47.262  0.2480 53.083  -105.7000 -0.15  -0.09  -0.01  -0.00  
1 1 1 8  7  5  o 44.986  0.9055 42.021  59.000    5.25   1.75   -1.11  -0.50  
1 1 1 8  7  6  f 31.928  0.5478 16.889  -130.3000 -7.30  -1.91  -4.05  -1.75  
1 1 1 8  7  7  o 16.809  0.1137 25.787  -28.2000  -0.05  0.00   -0.01  -0.32  
1 1 1 8  7  8  o 104.256 0.9597 94.110  96.000    -2.52  1.43   -0.25  0.26   
1 1 1 8  7  9  o 34.936  0.3170 32.993  -34.5000  3.15   2.47   -0.33  -2.20  
1 1 1 8  7  10 o 40.979  0.2190 38.786  -151.1000 -0.25  -1.13  1.50   -0.10  
1 1 1 8  7  11 o 8.5405  0.1381 7.5904  107.700   0.06   0.53   0.22   -0.03  
1 1 1 8  7  12 o 32.058  0.1904 29.205  -77.8000  0.99   -0.82  -1.76  1.47   
1 1 1 8  7  13 o 49.640  0.2330 55.142  -57.8000  0.73   -1.06  -0.20  0.62   
1 1 1 8  7  14 o 41.889  0.4499 41.798  69.100    -5.40  2.54   -2.01  1.40   
1 1 1 8  7  15 o 46.185  0.4802 43.258  145.200   -1.62  2.36   0.38   0.43   
1 1 1 8  7  16 o 36.079  0.4598 33.861  -124.4000 0.91   -2.65  0.49   0.19   
1 1 1 8  7  17 o 21.977  0.1634 20.374  -38.9000  0.77   0.41   -0.47  -0.19  
1 1 1 8  7  18 o 14.170  0.2883 13.932  -179.8000 -2.17  -0.08  -0.49  -0.12  
1 1 1 8  7  19 o 8.7510  0.5164 4.0350  -65.2000  -3.22  0.36   -0.46  0.06   
1 1 1 8  7  20 o 31.986  0.3497 29.959  109.100   1.13   2.40   0.00   -0.61  
1 1 1 8  7  21 o 29.086  0.3503 28.950  127.500   0.01   1.30   0.10   -0.09  
1 1 1 8  7  22 o 10.334  0.6789 11.452  -170.8000 -2.86  -1.05  -0.23  -0.13  
1 1 1 8  7  23 o 10.838  0.6437 8.9683  165.700   -2.69  0.55   -0.25  0.03   
1 1 1 8  7  24 o 20.200  0.2458 20.729  169.800   -1.92  -0.70  -0.36  0.44   
1 1 1 8  7  25 o 15.472  0.2178 15.883  22.200    0.34   0.48   0.03   0.10   
1 1 1 8  7  26 o 7.4586  0.4544 7.9461  59.500    1.15   -0.27  -0.13  -0.11  
1 1 1 8  8  0  o 66.843  0.7910 55.869  -180.0000 0.09   0.00   0.00   0.00   
1 1 1 8  8  1  o 14.318  0.1657 6.3522  89.800    -0.00  -0.04  0.00   0.00   
1 1 1 8  8  2  o 10.710  0.1155 13.584  -179.8000 0.07   0.00   0.00   0.00   
1 1 1 8  8  3  o 55.553  0.3524 35.739  90.000    -0.00  -0.37  0.00   0.00   
1 1 1 8  8  4  o 81.789  0.4904 59.224  -0.0000   0.20   0.00   0.00   0.00   
1 1 1 8  8  5  o 100.273 0.5840 105.380 90.000    0.00   1.54   0.00   0.00   
1 1 1 8  8  6  o 66.557  0.4092 40.530  -179.9000 -0.01  0.00   0.00   0.00   
1 1 1 8  8  7  o 80.275  0.5026 84.179  -90.0000  0.00   0.21   0.00   0.00   
1 1 1 8  8  8  o 12.207  0.1697 4.5172  -180.0000 -0.01  0.00   0.00   0.00   
1 1 1 8  8  9  o 27.133  0.2048 21.210  -89.9000  -0.00  -0.03  0.00   0.00   
1 1 1 8  8  10 o 16.242  0.2247 4.5453  -0.5000   -0.04  0.00   0.00   0.00   
1 1 1 8  8  11 o 8.0808  0.1874 4.1361  -90.2000  -0.00  -0.03  0.00   0.00   
1 1 1 8  8  12 o 16.230  0.2727 8.5535  179.900   -0.21  0.00   0.00   0.00   
1 1 1 8  8  13 o 26.437  0.2436 6.6140  89.700    -0.00  -0.19  0.00   0.00   
1 1 1 8  8  14 o 4.1473  0.3644 6.4484  -179.8000 -0.02  0.00   0.00   0.00   
1 1 1 8  8  15 o 28.291  0.2765 24.874  90.100    0.00   0.08   0.00   0.00   
1 1 1 8  8  16 o 11.265  0.2134 8.7720  179.900   0.20   0.00   0.00   0.00   
1 1 1 8  8  17 o 32.044  0.2416 32.243  -89.9000  -0.00  -0.06  0.00   0.00   
1 1 1 8  8  18 o 31.836  0.2741 29.462  -0.0000   0.46   0.00   0.00   0.00   
1 1 1 8  8  19 o 32.930  0.2516 32.693  90.000    0.00   0.36   0.00   0.00   
1 1 1 8  8  20 o 27.566  0.2374 29.034  0.0000    -0.59  0.00   0.00   0.00   
1 1 1 8  8  21 o 4.1952  0.5536 4.5272  90.000    0.00   0.04   0.00   0.00   
1 1 1 8  8  22 o 17.266  0.2905 22.327  180.000   0.26   0.00   0.00   0.00   
1 1 1 8  8  23 o 3.7417  0.6704 4.0628  -90.0000  -0.00  -0.05  0.00   0.00   
1 1 1 8  8  24 o 10.080  0.3312 8.2522  180.000   0.27   0.00   0.00   0.00   
1 1 1 8  8  25 o 0.3162  0.9236 2.0297  90.000    0.00   0.02   0.00   0.00   
1 1 1 8  8  26 o 3.7947  0.8954 1.6041  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 9  0  1  o 40.705  0.2733 73.255  -135.0000 -0.08  -0.08  0.00   0.00   
1 1 1 9  0  2  o 34.010  0.2307 12.367  -0.0000   0.17   0.00   0.00   0.00   
1 1 1 9  0  3  o 62.781  0.4036 55.481  -45.0000  -0.76  0.76   0.00   0.00   
1 1 1 9  0  4  o 16.529  0.1529 13.127  90.100    0.00   0.08   0.00   0.00   
1 1 1 9  0  5  o 32.243  0.2478 47.408  45.000    -0.05  -0.05  0.00   0.00   
1 1 1 9  0  6  o 11.645  0.1567 16.301  -0.1000   -0.05  0.00   0.00   0.00   
1 1 1 9  0  7  f 40.910  0.2973 27.932  -45.1000  0.21   -0.21  0.00   0.00   
1 1 1 9  0  8  f 71.253  0.4477 93.272  90.000    0.00   0.20   0.00   0.00   
1 1 1 9  0  9  f 47.637  0.3180 53.138  45.000    0.05   0.05   0.00   0.00   
1 1 1 9  0  10 o 56.664  0.3490 55.247  -179.9000 0.10   0.00   0.00   0.00   
1 1 1 9  0  11 o 155.745 0.8687 152.245 -45.0000  0.29   -0.29  0.00   0.00   
1 1 1 9  0  12 o 19.624  0.1717 19.014  90.000    0.00   0.02   0.00   0.00   
1 1 1 9  0  13 o 54.207  0.3537 60.652  -135.0000 -0.16  -0.16  0.00   0.00   
1 1 1 9  0  14 o 89.751  0.5465 79.067  -0.1000   0.13   0.00   0.00   0.00   
1 1 1 9  0  15 o 41.236  0.2830 43.788  135.000   -0.33  0.33   0.00   0.00   
1 1 1 9  0  16 o 26.182  0.2253 30.786  -90.0000  -0.00  -0.35  0.00   0.00   
1 1 1 9  0  17 o 46.896  0.3051 46.182  -135.0000 -0.16  -0.16  0.00   0.00   
1 1 1 9  0  18 o 10.826  0.2615 3.3605  -179.2000 0.02   0.00   0.00   0.00   
1 1 1 9  0  19 o 4.9598  0.3913 1.2138  -45.2000  -0.04  0.04   0.00   0.00   
1 1 1 9  0  20 o 12.369  0.2651 12.840  -90.0000  0.00   0.02   0.00   0.00   
1 1 1 9  0  21 o 11.811  0.2892 7.4254  45.000    0.03   0.03   0.00   0.00   
1 1 1 9  0  22 o 11.726  0.2668 13.479  180.000   -0.12  0.00   0.00   0.00   
1 1 1 9  0  23 o 18.647  0.2670 15.016  135.000   0.06   -0.06  0.00   0.00   
1 1 1 9  0  24 o 11.136  0.3015 8.8422  -90.0000  0.00   0.60   0.00   0.00   
1 1 1 9  0  25 o 14.950  0.3015 15.717  45.000    0.11   0.11   0.00   0.00   
1 1 1 9  0  26 f 14.502  0.3632 14.893  0.0000    0.29   0.00   0.00   0.00   
1 1 1 9  1  0  f 17.306  0.1546 39.468  -0.0000   -0.20  0.00   0.00   0.00   
1 1 1 9  1  1  o 14.361  0.4130 6.1535  47.100    1.39   2.68   0.79   -1.55  
1 1 1 9  1  2  f 20.642  0.9342 9.5660  -35.8000  3.68   -3.33  0.10   1.29   
1 1 1 9  1  3  o 35.700  0.1837 25.982  39.800    0.72   -0.15  -0.29  -0.39  
1 1 1 9  1  4  o 63.451  0.2866 73.100  101.800   1.30   0.17   0.16   -0.56  
1 1 1 9  1  5  o 23.537  1.3211 38.460  -84.0000  -1.66  -12.69 2.58   -0.89  
1 1 1 9  1  6  o 15.864  0.2255 5.3223  167.900   -0.74  1.94   2.26   1.09   
1 1 1 9  1  7  o 48.520  0.7448 54.146  43.900    1.69   3.12   0.38   -0.45  
1 1 1 9  1  8  o 100.868 0.6982 93.739  -92.8000  1.14   -1.55  0.17   0.24   
1 1 1 9  1  9  o 50.549  0.2309 45.679  66.300    -0.01  -0.08  -0.03  -0.10  
1 1 1 9  1  10 o 75.791  0.6270 63.544  -5.3000   0.78   0.71   0.00   -0.06  
1 1 1 9  1  11 o 60.083  0.4696 58.098  33.600    2.57   1.16   -0.43  -0.33  
1 1 1 9  1  12 o 11.330  0.2835 28.305  12.400    0.43   3.55   1.53   -0.29  
1 1 1 9  1  13 o 43.638  0.2210 42.784  135.900   0.15   2.12   1.19   -0.93  
1 1 1 9  1  14 o 17.883  0.4031 14.916  22.200    2.16   -1.67  -0.08  0.62   
1 1 1 9  1  15 o 26.983  0.1503 25.338  159.100   -0.06  -0.10  0.05   0.01   
1 1 1 9  1  16 o 22.029  0.2022 22.012  -163.6000 -1.04  -0.70  -0.02  -0.44  
1 1 1 9  1  17 o 25.930  0.3435 23.815  -0.4000   1.62   0.56   -0.23  -0.11  
1 1 1 9  1  18 o 9.8049  0.1672 13.144  109.900   0.82   -0.72  -0.18  0.47   
1 1 1 9  1  19 o 15.732  0.2790 16.865  178.700   -1.40  1.84   0.41   0.66   
1 1 1 9  1  20 o 15.680  0.1768 13.553  19.500    -0.05  -0.49  0.14   0.23   
1 1 1 9  1  21 o 20.521  0.1694 24.596  -146.7000 -0.52  -0.28  -0.19  0.22   
1 1 1 9  1  22 o 10.140  0.3973 6.6446  121.000   0.41   1.33   0.10   -0.12  
1 1 1 9  1  23 o 16.907  0.3889 18.519  113.300   -1.84  2.26   -0.26  0.58   
1 1 1 9  1  24 o 7.8721  0.4110 5.3003  109.400   -0.62  -2.06  0.43   -0.06  
1 1 1 9  1  25 f 13.312  0.2308 9.6377  79.900    0.42   0.02   0.06   -0.03  
1 1 1 9  1  26 o 6.0155  0.4872 5.3355  33.800    0.34   0.16   0.03   0.06   
1 1 1 9  2  0  o 5.1672  0.0763 1.8785  -0.1000   0.01   0.00   0.00   0.00   
1 1 1 9  2  1  o 48.942  1.1888 38.403  114.500   -8.02  -0.03  -2.12  -0.80  
1 1 1 9  2  2  o 12.002  0.3866 21.292  -155.6000 -0.38  -0.42  -0.01  -0.09  
1 1 1 9  2  3  o 36.601  0.5865 10.422  166.700   -1.14  -1.17  0.18   -0.31  
1 1 1 9  2  4  o 30.472  1.4045 30.544  -5.2000   7.30   2.35   -1.26  -0.61  
1 1 1 9  2  5  o 44.365  0.6561 33.949  -13.4000  2.28   0.81   -0.25  -0.37  
1 1 1 9  2  6  o 45.393  0.8884 36.018  50.300    0.33   3.67   0.53   -0.22  
1 1 1 9  2  7  o 18.593  0.7928 10.169  -14.3000  6.09   2.29   -1.02  -0.96  
1 1 1 9  2  8  o 43.301  0.3901 40.579  -68.1000  1.97   -1.92  -0.18  1.11   
1 1 1 9  2  9  o 30.143  0.3618 26.475  -132.3000 -2.30  -1.48  -0.34  -0.63  
1 1 1 9  2  10 f 14.303  0.2118 24.299  47.200    1.65   2.10   0.41   -1.39  
1 1 1 9  2  11 o 10.806  0.1274 15.164  105.600   0.09   -0.06  -0.27  0.20   
1 1 1 9  2  12 o 29.741  0.1810 28.825  15.600    0.30   -0.75  0.19   0.11   
1 1 1 9  2  13 o 18.135  0.1285 15.803  80.800    1.14   -1.01  -1.34  2.61   
1 1 1 9  2  14 o 32.724  0.4702 25.144  72.500    -0.48  0.03   -0.01  0.00   
1 1 1 9  2  15 o 38.285  0.1918 42.566  49.800    0.48   0.74   -0.23  -0.47  
1 1 1 9  2  16 o 8.7540  0.2709 1.5198  -172.2000 -1.39  1.67   0.07   0.83   
1 1 1 9  2  17 o 40.282  0.4909 43.578  -0.7000   3.16   -3.04  0.21   0.95   
1 1 1 9  2  18 o 23.696  0.2414 18.740  90.800    3.36   1.39   -2.50  -0.98  
1 1 1 9  2  19 o 10.703  0.3987 7.7088  52.000    -0.71  2.90   0.53   0.38   
1 1 1 9  2  20 o 26.078  0.1754 25.720  33.100    -0.49  -0.36  0.23   0.38   
1 1 1 9  2  21 o 10.359  0.2017 7.0258  -22.2000  -0.19  -0.01  -0.02  -0.04  
1 1 1 9  2  22 o 22.621  0.1926 19.496  -52.7000  -0.22  -0.93  -0.43  -0.43  
1 1 1 9  2  23 o 12.561  0.1975 10.924  134.800   0.14   1.12   -0.08  -0.72  
1 1 1 9  2  24 o 19.422  0.5789 20.989  55.300    4.18   0.52   -0.52  0.14   
1 1 1 9  2  25 o 10.353  0.2718 10.604  29.700    0.57   0.33   -0.08  0.01   
1 1 1 9  2  26 o 12.331  0.3435 12.292  -70.5000  0.16   -0.89  -0.16  0.06   
1 1 1 9  3  0  o 16.220  0.1345 11.041  0.1000    0.11   0.00   0.00   0.00   
1 1 1 9  3  1  o 61.968  0.9120 66.170  50.500    0.06   2.08   0.20   -0.16  
1 1 1 9  3  2  o 35.568  0.6594 28.675  30.300    1.18   -0.34  -0.16  0.02   
1 1 1 9  3  3  o 28.694  0.1476 37.939  -0.5000   -0.06  0.17   -0.04  0.05   
1 1 1 9  3  4  o 58.527  0.4256 66.466  137.200   -0.17  0.45   -0.01  0.05   
1 1 1 9  3  5  o 54.846  0.2593 41.540  134.000   0.66   -0.19  -0.07  -0.71  
1 1 1 9  3  6  o 13.490  1.0186 21.993  -105.3000 -0.02  -6.06  0.73   -0.02  
1 1 1 9  3  7  o 60.003  0.8687 86.251  -159.7000 -3.76  -1.45  -0.51  -0.34  
1 1 1 9  3  8  o 88.066  0.9658 62.936  -179.4000 -0.69  5.69   1.21   0.09   
1 1 1 9  3  9  o 86.524  0.8363 76.465  -145.2000 -10.70 0.26   -4.17  -0.45  
1 1 1 9  3  10 o 56.917  0.2524 48.407  -45.6000  -0.11  -0.26  0.37   0.14   
1 1 1 9  3  11 o 10.156  0.2534 4.6583  15.200    1.77   0.46   -0.35  -0.18  
1 1 1 9  3  12 o 18.284  0.1606 22.701  -70.3000  -2.04  -1.93  -0.81  -3.14  
1 1 1 9  3  13 o 10.113  0.1476 4.1212  55.500    1.38   -0.44  -1.23  0.63   
1 1 1 9  3  14 f 24.207  0.1463 25.184  -176.3000 0.07   0.04   0.00   -0.01  
1 1 1 9  3  15 o 6.7003  0.1935 11.748  77.200    0.17   0.17   -0.02  -0.09  
1 1 1 9  3  16 o 16.362  0.2382 18.441  17.900    1.32   1.88   0.15   -1.08  
1 1 1 9  3  17 o 36.877  0.2413 37.732  12.700    2.02   -1.18  -0.99  0.51   
1 1 1 9  3  18 o 22.137  0.3802 23.062  -173.0000 0.85   -0.81  0.01   0.09   
1 1 1 9  3  19 o 19.257  0.1545 16.968  51.300    -0.09  0.06   -0.01  0.00   
1 1 1 9  3  20 o 23.003  0.3880 23.000  31.400    0.90   3.16   0.71   -0.11  
1 1 1 9  3  21 o 22.034  0.4036 23.032  125.900   -3.83  1.29   -1.08  0.18   
1 1 1 9  3  22 o 18.140  0.1818 19.246  28.400    -0.20  0.61   -0.10  0.24   
1 1 1 9  3  23 o 12.561  0.2049 14.858  144.400   0.32   0.47   0.20   0.07   
1 1 1 9  3  24 o 8.9896  0.4428 7.3204  34.300    2.69   0.13   -0.46  -0.27  
1 1 1 9  3  25 o 15.708  0.2202 16.787  86.900    0.91   0.32   -0.07  0.18   
1 1 1 9  3  26 o 7.5505  0.4332 7.9228  88.900    -0.29  0.65   0.06   -0.02  
1 1 1 9  4  0  f 7.6551  0.1031 17.619  -0.0000   -0.06  0.00   0.00   0.00   
1 1 1 9  4  1  o 89.284  1.1557 52.386  147.200   -3.15  8.87   3.55   -0.31  
1 1 1 9  4  2  o 57.957  0.2720 41.736  -107.0000 -0.92  -0.84  -0.59  0.03   
1 1 1 9  4  3  o 10.398  0.2166 2.6288  -30.4000  -0.72  0.48   -0.02  0.71   
1 1 1 9  4  4  o 72.269  1.0509 73.808  -38.1000  8.24   0.30   -2.45  -2.07  
1 1 1 9  4  5  o 43.852  0.2212 43.744  30.600    1.55   -0.62  0.04   1.60   
1 1 1 9  4  6  o 89.101  0.8339 111.408 5.2000    3.74   -0.72  -0.59  0.49   
1 1 1 9  4  7  o 83.461  0.9298 66.925  -34.4000  3.69   5.21   0.16   -1.67  
1 1 1 9  4  8  o 60.791  0.2764 65.502  148.400   0.03   -0.01  0.00   -0.01  
1 1 1 9  4  9  f 37.236  0.4892 53.435  59.800    0.73   6.67   2.54   -0.40  
1 1 1 9  4  10 o 46.324  0.2166 41.662  -162.7000 -0.02  0.21   0.22   -0.23  
1 1 1 9  4  11 o 75.543  0.3256 78.453  -57.5000  0.33   -2.50  1.08   -0.18  
1 1 1 9  4  12 o 22.838  0.1436 26.195  97.300    -0.08  0.16   0.22   -0.68  
1 1 1 9  4  13 o 31.904  0.8436 39.716  -70.0000  2.39   -13.58 2.50   1.12   
1 1 1 9  4  14 o 31.434  0.3361 37.534  81.200    1.47   1.45   0.14   -0.51  
1 1 1 9  4  15 f 26.787  0.4405 26.449  18.500    3.06   -1.10  -0.65  0.36   
1 1 1 9  4  16 o 24.429  0.1836 24.872  44.000    1.26   -0.12  -0.46  0.32   
1 1 1 9  4  17 o 23.432  0.4124 22.913  -105.5000 -3.03  -1.91  -0.48  -0.66  
1 1 1 9  4  18 o 11.165  0.1628 11.912  12.800    -0.12  0.65   0.23   0.02   
1 1 1 9  4  19 o 8.6456  0.3862 3.5917  98.900    4.67   0.63   -1.87  -0.24  
1 1 1 9  4  20 o 6.6410  0.2417 10.485  98.500    -0.18  0.40   -0.03  0.41   
1 1 1 9  4  21 o 17.158  0.1730 19.121  -162.0000 0.45   -0.54  0.15   0.08   
1 1 1 9  4  22 f 16.408  0.1955 14.053  -8.1000   0.66   -1.61  0.73   0.06   
1 1 1 9  4  23 o 9.5983  0.2424 8.3564  -55.2000  0.05   -0.28  0.03   -0.02  
1 1 1 9  4  24 o 17.172  0.3908 17.171  -22.1000  2.44   -1.00  -0.57  -0.12  
1 1 1 9  4  25 o 4.1571  0.6091 3.6773  128.800   -0.65  0.60   0.05   0.09   
1 1 1 9  4  26 o 9.4992  0.6057 9.3878  -173.0000 0.14   0.10   0.00   -0.00  
1 1 1 9  5  0  o 11.415  0.1256 20.313  -180.0000 0.19   0.00   0.00   0.00   
1 1 1 9  5  1  o 57.118  1.2773 47.718  43.500    5.52   3.61   -0.02  -1.36  
1 1 1 9  5  2  o 26.828  0.1718 21.360  61.600    -0.64  -0.06  -0.29  0.39   
1 1 1 9  5  3  o 39.828  0.7372 46.777  135.000   -0.70  2.25   0.24   0.42   
1 1 1 9  5  4  o 51.672  0.7390 39.963  -172.7000 -3.04  -2.64  -0.44  -0.89  
1 1 1 9  5  5  o 41.913  0.3475 40.925  -79.0000  0.59   0.58   -0.09  -0.15  
1 1 1 9  5  6  o 50.818  0.2479 45.981  -7.2000   0.47   -0.30  2.00   0.10   
1 1 1 9  5  7  o 67.880  0.3123 58.608  42.300    0.36   -0.79  0.00   0.43   
1 1 1 9  5  8  o 20.910  1.0345 10.797  -6.7000   7.40   10.08  0.76   -2.60  
1 1 1 9  5  9  o 19.723  0.4077 32.991  44.200    2.19   8.00   3.96   -2.52  
1 1 1 9  5  10 o 27.146  0.2457 28.973  164.200   1.58   2.71   0.83   -1.87  
1 1 1 9  5  11 o 29.504  0.3713 21.142  177.700   -4.32  -0.78  -1.21  -0.55  
1 1 1 9  5  12 o 47.322  0.7740 55.715  -162.9000 -3.90  -9.47  1.82   -1.38  
1 1 1 9  5  13 o 31.057  0.3059 21.908  109.900   0.01   3.67   1.42   0.26   
1 1 1 9  5  14 o 45.247  0.2424 40.111  19.200    1.49   -0.05  -0.45  -0.22  
1 1 1 9  5  15 o 48.228  0.2750 46.137  -95.6000  0.32   -0.02  -0.02  -0.01  
1 1 1 9  5  16 o 29.056  0.7362 29.609  31.100    7.25   5.64   -0.23  -1.91  
1 1 1 9  5  17 o 27.146  0.1596 33.905  -64.6000  0.74   -0.88  -0.23  0.52   
1 1 1 9  5  18 o 13.986  0.1460 16.695  -13.9000  0.82   0.21   -0.40  -0.06  
1 1 1 9  5  19 o 33.557  0.3644 32.784  151.500   -1.09  0.17   -0.07  0.07   
1 1 1 9  5  20 o 9.2985  0.3105 7.7229  -83.2000  -0.11  -1.66  0.31   -0.12  
1 1 1 9  5  21 o 11.219  0.1944 7.2005  161.800   -0.97  -0.29  -0.14  -0.29  
1 1 1 9  5  22 o 18.988  0.1757 18.153  101.900   -0.59  -0.25  0.21   -0.17  
1 1 1 9  5  23 o 4.7657  0.4006 6.9168  -127.4000 0.36   -0.64  0.01   0.09   
1 1 1 9  5  24 o 11.067  0.3017 10.879  41.600    2.75   -1.05  0.13   1.37   
1 1 1 9  5  25 o 7.1741  0.3523 6.6044  146.000   -0.43  -0.13  0.00   0.15   
1 1 1 9  5  26 o 6.8363  0.4394 5.9174  130.500   -0.14  -0.60  -0.00  -0.06  
1 1 1 9  6  0  o 10.325  0.1197 14.286  -179.9000 -0.15  0.00   0.00   0.00   
1 1 1 9  6  1  o 21.270  1.5839 18.253  -6.2000   7.06   2.86   -0.66  -0.79  
1 1 1 9  6  2  o 21.640  0.5235 20.419  -119.1000 -0.75  -0.28  -0.05  -0.09  
1 1 1 9  6  3  o 10.606  0.2172 14.591  -2.0000   0.03   0.14   0.01   -0.01  
1 1 1 9  6  4  o 32.797  1.3502 32.798  -161.0000 -11.82 -4.91  -2.09  -1.72  
1 1 1 9  6  5  o 24.929  0.7119 27.126  77.500    -2.27  2.85   0.07   0.76   
1 1 1 9  6  6  o 74.041  0.9846 86.163  -57.4000  -0.28  -6.29  1.26   -0.36  
1 1 1 9  6  7  o 47.438  0.2290 35.584  -155.4000 0.38   -0.06  -0.09  0.07   
1 1 1 9  6  8  o 32.163  0.1590 34.842  35.600    0.60   -0.43  -0.01  0.77   
1 1 1 9  6  9  o 98.691  0.5927 105.317 -70.4000  -2.91  -3.45  0.77   -1.54  
1 1 1 9  6  10 o 10.662  0.1144 1.3876  41.700    1.29   0.46   -3.93  -2.53  
1 1 1 9  6  11 o 46.481  0.2628 57.440  104.900   0.85   0.76   0.06   -0.25  
1 1 1 9  6  12 o 74.382  0.3283 76.169  -61.1000  0.77   -0.62  -0.15  0.10   
1 1 1 9  6  13 o 8.8507  0.4120 16.446  -171.3000 -4.96  -7.01  1.13   -3.60  
1 1 1 9  6  14 o 39.942  0.2078 41.170  -135.9000 -0.73  0.12   -0.02  0.81   
1 1 1 9  6  15 o 41.518  0.2074 38.983  3.5000    -0.30  0.41   -0.58  -0.16  
1 1 1 9  6  16 o 13.431  0.5349 14.030  58.700    5.75   1.73   -1.28  -0.71  
1 1 1 9  6  17 o 14.862  0.5079 17.898  -147.6000 -5.41  -2.39  -0.85  -1.13  
1 1 1 9  6  18 o 26.855  0.1883 19.264  -70.3000  1.48   0.03   -0.47  -0.31  
1 1 1 9  6  19 o 28.304  0.1607 30.679  -92.5000  -0.11  -0.74  -0.81  0.66   
1 1 1 9  6  20 o 20.340  0.1635 19.100  41.700    -0.59  0.88   -1.18  0.40   
1 1 1 9  6  21 o 30.948  0.1883 27.569  -102.0000 1.35   -2.09  -1.48  0.71   
1 1 1 9  6  22 o 24.193  0.1918 24.189  49.600    -1.25  1.72   -1.11  0.60   
1 1 1 9  6  23 o 10.373  0.4613 10.961  -54.6000  1.51   -1.19  -0.15  0.20   
1 1 1 9  6  24 o 24.622  0.1910 25.001  8.9000    -0.61  -2.59  -1.02  0.73   
1 1 1 9  6  25 o 13.203  0.2461 12.516  -38.9000  0.56   -0.09  0.09   0.04   
1 1 1 9  6  26 o 11.849  0.7229 13.529  106.900   -2.70  0.09   -0.18  -0.11  
1 1 1 9  7  0  o 17.499  0.1473 5.4964  -0.1000   0.03   0.00   0.00   0.00   
1 1 1 9  7  1  o 42.397  1.5118 45.764  -76.0000  5.50   -5.81  -0.25  1.34   
1 1 1 9  7  2  o 77.104  0.3246 57.258  129.800   -1.42  2.08   0.78   -2.15  
1 1 1 9  7  3  o 13.614  0.4710 7.1697  93.600    2.19   1.57   -0.76  -1.24  
1 1 1 9  7  4  o 7.1415  0.0926 17.811  65.900    0.05   -0.00  -0.04  0.13   
1 1 1 9  7  5  o 89.360  0.5308 96.588  179.400   -0.62  -0.21  0.00   -0.06  
1 1 1 9  7  6  o 44.579  0.8472 18.004  -1.8000   -0.31  -9.35  3.06   -0.53  
1 1 1 9  7  7  o 28.195  0.7770 26.374  -64.7000  0.73   -7.03  1.55   0.39   
1 1 1 9  7  8  o 18.202  0.1213 24.601  79.300    -0.42  0.16   -0.61  1.03   
1 1 1 9  7  9  o 48.430  0.3246 44.209  -146.4000 -2.36  0.79   -0.63  0.63   
1 1 1 9  7  10 f 58.082  0.9170 69.803  57.800    6.43   8.73   0.74   -1.79  
1 1 1 9  7  11 f 32.681  0.5407 26.030  21.300    2.41   6.97   1.77   -1.13  
1 1 1 9  7  12 o 28.070  0.1638 24.613  91.100    0.00   -0.13  0.03   0.09   
1 1 1 9  7  13 o 9.0940  0.5837 12.692  29.500    5.32   2.28   -0.66  -0.65  
1 1 1 9  7  14 o 36.363  0.4019 29.734  40.900    4.46   2.72   -1.33  -1.57  
1 1 1 9  7  15 o 38.423  0.2458 38.485  -121.1000 0.80   -1.17  0.36   0.30   
1 1 1 9  7  16 f 33.580  0.1726 38.596  -104.3000 -0.43  0.12   -0.14  -0.04  
1 1 1 9  7  17 o 21.863  0.6831 19.961  115.800   -1.41  3.46   0.21   0.26   
1 1 1 9  7  18 o 29.557  0.4799 29.709  114.600   -3.90  -1.23  -0.44  -0.49  
1 1 1 9  7  19 o 9.7032  0.1782 8.2063  -20.9000  0.51   -0.63  -0.07  0.40   
1 1 1 9  7  20 o 11.395  0.2392 10.765  88.500    -0.83  0.66   -0.12  0.18   
1 1 1 9  7  21 o 23.398  0.1752 23.380  -179.6000 0.29   0.08   -0.01  0.05   
1 1 1 9  7  22 o 18.729  0.1780 15.492  -67.3000  -0.23  0.21   -0.02  -0.11  
1 1 1 9  7  23 o 16.103  0.1944 16.975  83.100    0.17   0.40   -0.01  0.14   
1 1 1 9  7  24 o 8.1091  0.2721 8.0473  67.800    0.17   -0.06  0.03   0.01   
1 1 1 9  7  25 o 13.822  0.3660 12.879  -21.2000  -1.22  1.13   0.25   0.12   
1 1 1 9  7  26 o 9.3766  0.4630 10.137  171.300   -0.63  0.45   0.10   -0.07  
1 1 1 9  8  0  f 11.063  0.1207 25.482  0.0000    0.04   0.00   0.00   0.00   
1 1 1 9  8  1  o 28.504  0.7656 40.552  -49.5000  3.96   0.38   -1.10  -0.59  
1 1 1 9  8  2  o 24.531  0.4594 28.797  -25.7000  2.28   -0.21  -0.92  0.62   
1 1 1 9  8  3  o 41.573  1.4803 35.006  94.000    8.25   11.31  0.52   -2.75  
1 1 1 9  8  4  o 28.850  0.1583 25.577  -167.8000 -0.26  0.16   -0.22  -0.67  
1 1 1 9  8  5  o 53.952  0.4986 59.350  99.500    -0.60  0.50   -0.02  0.06   
1 1 1 9  8  6  o 18.179  0.4760 25.190  13.000    0.96   1.68   0.15   -0.30  
1 1 1 9  8  7  o 31.967  0.2322 37.322  -30.6000  0.16   -1.21  0.56   0.06   
1 1 1 9  8  8  f 34.833  0.4762 38.839  68.200    1.67   2.90   0.36   -0.54  
1 1 1 9  8  9  o 45.989  0.2337 42.007  2.7000    1.80   0.73   -0.76  -0.50  
1 1 1 9  8  10 o 38.031  0.1953 23.621  154.700   -0.03  0.11   -0.01  0.10   
1 1 1 9  8  11 o 14.804  0.7994 9.0993  -22.1000  -4.10  -18.45 4.55   -2.26  
1 1 1 9  8  12 o 29.338  0.1574 40.124  30.500    0.40   -0.15  -0.06  0.15   
1 1 1 9  8  13 o 39.157  0.2082 37.518  26.700    0.81   0.33   -0.06  -0.24  
1 1 1 9  8  14 o 18.834  0.1524 29.921  -60.4000  -0.08  -0.34  -1.45  -1.44  
1 1 1 9  8  15 o 15.900  0.2033 18.206  37.400    1.06   2.66   1.05   -1.34  
1 1 1 9  8  16 o 11.044  0.1620 13.664  -8.3000   -0.06  -0.14  -0.02  -0.17  
1 1 1 9  8  17 o 14.009  0.1483 12.749  -3.0000   -0.67  0.04   -0.25  -0.06  
1 1 1 9  8  18 o 10.679  0.1863 4.9386  -102.4000 -0.13  -0.86  0.31   -0.01  
1 1 1 9  8  19 o 20.050  0.1728 16.050  -50.3000  -0.06  -0.04  0.00   0.02   
1 1 1 9  8  20 o 17.730  0.1568 18.171  -156.5000 0.10   -0.24  -0.07  0.06   
1 1 1 9  8  21 o 7.7061  0.2556 9.0354  110.300   0.25   -0.08  -0.07  -0.24  
1 1 1 9  8  22 o 13.214  0.2098 9.9429  -119.4000 0.27   0.03   -0.02  0.05   
1 1 1 9  8  23 o 14.864  0.1943 14.600  45.700    0.39   0.59   0.12   0.01   
1 1 1 9  8  24 o 4.5198  0.4715 6.1804  118.400   -0.60  0.44   -0.34  -0.00  
1 1 1 9  8  25 o 15.948  0.2302 16.550  -78.2000  0.57   -0.66  0.10   -0.11  
1 1 1 9  8  26 o 8.4108  0.3814 7.2668  72.700    -0.07  0.17   -0.01  -0.01  
1 1 1 9  9  0  o 69.791  0.8905 31.727  179.900   -0.62  0.00   0.00   0.00   
1 1 1 9  9  1  o 20.394  0.1943 1.3327  -90.3000  0.00   0.11   0.00   0.00   
1 1 1 9  9  2  o 38.428  0.2495 9.6465  0.1000    0.19   0.00   0.00   0.00   
1 1 1 9  9  3  o 17.242  0.1723 14.429  90.100    0.00   0.06   0.00   0.00   
1 1 1 9  9  4  o 28.367  0.2030 28.735  179.900   0.01   0.00   0.00   0.00   
1 1 1 9  9  5  o 33.657  0.2302 33.965  90.000    -0.00  -0.11  0.00   0.00   
1 1 1 9  9  6  o 17.367  0.1795 36.310  -0.0000   -0.06  0.00   0.00   0.00   
1 1 1 9  9  7  o 11.628  0.1570 11.761  90.200    -0.00  -0.03  0.00   0.00   
1 1 1 9  9  8  o 102.975 0.5962 101.026 0.0000    0.43   0.00   0.00   0.00   
1 1 1 9  9  9  o 8.9944  0.1745 12.044  90.100    0.00   0.01   0.00   0.00   
1 1 1 9  9  10 o 47.685  0.3115 55.323  -0.0000   0.07   0.00   0.00   0.00   
1 1 1 9  9  11 o 22.565  0.2216 21.339  -90.1000  -0.00  -0.02  0.00   0.00   
1 1 1 9  9  12 o 26.935  0.2209 24.085  0.0000    -0.06  0.00   0.00   0.00   
1 1 1 9  9  13 o 19.781  0.1927 10.558  -90.1000  0.00   0.01   0.00   0.00   
1 1 1 9  9  14 o 15.414  0.1922 21.383  -179.9000 0.04   0.00   0.00   0.00   
1 1 1 9  9  15 o 52.382  0.3631 55.462  -90.1000  0.00   0.18   0.00   0.00   
1 1 1 9  9  16 o 37.103  0.2716 44.754  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 9  9  17 o 35.746  0.2982 36.560  90.000    0.00   0.19   0.00   0.00   
1 1 1 9  9  18 o 8.2885  0.3024 3.0673  -179.5000 -0.03  0.00   0.00   0.00   
1 1 1 9  9  19 o 21.014  0.2539 11.440  -90.1000  -0.00  -0.35  0.00   0.00   
1 1 1 9  9  20 o 9.8590  0.2762 12.961  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 9  9  21 f 22.224  0.2382 22.841  90.000    0.00   0.24   0.00   0.00   
1 1 1 9  9  22 o 11.790  0.2897 16.580  -0.0000   -0.01  0.00   0.00   0.00   
1 1 1 9  9  23 o 7.8994  0.4201 7.7649  -90.0000  0.00   0.23   0.00   0.00   
1 1 1 9  9  24 o 15.643  0.3133 15.105  -0.0000   -0.15  0.00   0.00   0.00   
1 1 1 9  9  25 o 9.2844  0.3973 10.539  -90.0000  0.00   0.06   0.00   0.00   
1 1 1 9  9  26 o 3.5637  0.9387 6.7316  -0.0000   0.15   0.00   0.00   0.00   
1 1 1 10 0  0  o 64.330  0.5472 49.184  -180.0000 0.37   0.00   0.00   0.00   
1 1 1 10 0  1  o 54.628  0.3447 43.836  135.000   -0.22  0.22   0.00   0.00   
1 1 1 10 0  2  o 39.354  0.2763 52.565  90.000    -0.00  -0.30  0.00   0.00   
1 1 1 10 0  3  o 18.684  0.1723 1.8569  44.600    -0.21  -0.21  0.00   0.00   
1 1 1 10 0  4  o 62.913  0.3855 69.001  -180.0000 0.13   0.00   0.00   0.00   
1 1 1 10 0  5  o 24.317  0.2160 30.366  -45.0000  -0.09  0.09   0.00   0.00   
1 1 1 10 0  6  o 47.463  0.3088 36.691  90.000    0.00   0.18   0.00   0.00   
1 1 1 10 0  7  f 20.416  0.2085 7.4617  44.700    0.06   0.06   0.00   0.00   
1 1 1 10 0  8  o 70.740  0.4272 75.043  -180.0000 -0.17  0.00   0.00   0.00   
1 1 1 10 0  9  o 14.980  0.1651 15.390  135.000   0.03   -0.03  0.00   0.00   
1 1 1 10 0  10 o 44.825  0.3025 44.597  -90.0000  -0.00  -0.02  0.00   0.00   
1 1 1 10 0  11 o 46.611  0.3133 17.384  44.800    0.04   0.04   0.00   0.00   
1 1 1 10 0  12 o 59.008  0.3671 77.167  -180.0000 0.11   0.00   0.00   0.00   
1 1 1 10 0  13 o 6.5651  0.2422 10.008  -44.8000  -0.01  0.01   0.00   0.00   
1 1 1 10 0  14 o 6.6558  0.2392 18.646  -90.1000  0.00   0.00   0.00   0.00   
1 1 1 10 0  15 o 85.420  0.5166 87.697  -135.0000 -0.45  -0.45  0.00   0.00   
1 1 1 10 0  16 o 13.398  0.1986 11.252  -180.0000 -0.14  0.00   0.00   0.00   
1 1 1 10 0  17 o 27.137  0.2284 20.371  -44.9000  -0.10  0.10   0.00   0.00   
1 1 1 10 0  18 o 9.0333  0.2530 2.1006  90.400    -0.00  -0.02  0.00   0.00   
1 1 1 10 0  19 o 19.907  0.2235 13.792  45.000    -0.14  -0.14  0.00   0.00   
1 1 1 10 0  20 o 18.061  0.2566 17.687  -0.0000   0.78   0.00   0.00   0.00   
1 1 1 10 0  21 o 14.467  0.2680 18.219  135.000   0.05   -0.05  0.00   0.00   
1 1 1 10 0  22 o 14.591  0.2493 11.277  90.000    0.00   0.06   0.00   0.00   
1 1 1 10 0  23 f 10.512  0.3139 12.088  45.000    0.07   0.07   0.00   0.00   
1 1 1 10 0  24 o 12.462  0.3054 14.813  0.0000    0.37   0.00   0.00   0.00   
1 1 1 10 0  25 o 14.234  0.3463 11.844  -45.0000  0.37   -0.37  0.00   0.00   
1 1 1 10 0  26 o 10.134  0.5113 11.824  -90.0000  -0.00  -0.13  0.00   0.00   
1 1 1 10 1  0  o 12.170  0.1180 15.683  -0.0000   0.09   0.00   0.00   0.00   
1 1 1 10 1  1  o 64.413  0.7188 66.274  143.300   -0.49  1.39   0.20   -0.02  
1 1 1 10 1  2  o 47.832  0.5286 27.649  -120.2000 -4.17  -1.28  -3.01  0.45   
1 1 1 10 1  3  o 41.473  0.1903 35.486  -146.2000 -0.73  -0.48  1.00   0.25   
1 1 1 10 1  4  o 47.527  0.7233 33.514  -57.9000  5.52   -4.27  -1.60  2.62   
1 1 1 10 1  5  o 17.883  0.6978 33.391  -16.3000  2.31   -1.15  -0.27  0.29   
1 1 1 10 1  6  o 63.393  0.2752 50.552  32.300    0.32   0.86   1.25   0.54   
1 1 1 10 1  7  o 34.386  0.3472 13.233  142.800   -1.50  0.52   -0.32  0.36   
1 1 1 10 1  8  o 56.912  0.2561 35.271  112.200   -0.58  0.07   -0.37  0.45   
1 1 1 10 1  9  o 18.959  0.7979 44.266  139.400   -6.25  10.21  1.07   2.18   
1 1 1 10 1  10 o 76.690  0.3295 65.305  -10.4000  -0.03  0.23   -0.11  -0.26  
1 1 1 10 1  11 o 48.843  0.5728 44.398  -0.6000   5.47   -9.51  2.66   3.64   
1 1 1 10 1  12 o 60.354  0.2662 77.342  28.300    -0.98  3.00   0.73   2.12   
1 1 1 10 1  13 o 18.432  0.6212 21.333  99.400    2.58   11.31  2.70   -1.47  
1 1 1 10 1  14 o 11.695  0.1466 4.4994  83.200    0.23   1.40   0.82   -0.44  
1 1 1 10 1  15 o 35.818  0.1917 32.853  -107.6000 -0.30  0.35   0.26   0.07   
1 1 1 10 1  16 o 25.947  0.1482 33.310  63.500    0.00   0.18   -0.24  0.02   
1 1 1 10 1  17 o 34.775  0.1874 33.999  -123.9000 -0.41  0.04   0.25   0.27   
1 1 1 10 1  18 f 15.738  0.1444 15.979  -68.6000  0.53   -0.88  0.33   0.30   
1 1 1 10 1  19 o 27.233  0.7356 24.732  -48.8000  4.64   -6.13  0.09   1.20   
1 1 1 10 1  20 o 12.111  0.1954 10.472  -136.5000 -0.25  -0.62  0.79   0.84   
1 1 1 10 1  21 o 18.616  0.1885 20.039  -38.0000  0.90   0.25   0.30   -0.55  
1 1 1 10 1  22 o 22.550  0.1724 24.301  55.200    0.10   0.69   -0.34  0.21   
1 1 1 10 1  23 o 7.1420  0.2843 6.5905  -97.3000  -0.44  0.37   0.13   0.14   
1 1 1 10 1  24 o 13.028  0.2232 14.761  179.600   -0.47  -0.15  0.03   -0.06  
1 1 1 10 1  25 o 4.1446  0.4689 4.9276  43.600    0.11   -0.09  0.02   -0.00  
1 1 1 10 1  26 o 5.5467  0.5197 5.9425  163.500   -0.12  -0.17  -0.01  -0.00  
1 1 1 10 2  0  o 37.526  0.2475 50.292  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 10 2  1  o 58.510  0.4762 63.875  -132.6000 -0.51  1.03   -0.09  0.22   
1 1 1 10 2  2  o 50.659  0.3526 52.988  152.000   -1.18  -0.96  -0.67  -0.17  
1 1 1 10 2  3  o 54.646  0.7426 42.916  -152.6000 -2.91  -0.62  -0.39  -0.66  
1 1 1 10 2  4  o 21.525  0.3341 28.440  -63.1000  0.88   -0.05  -0.19  0.07   
1 1 1 10 2  5  f 49.554  1.5473 46.203  140.500   -14.32 10.26  -0.79  4.26   
1 1 1 10 2  6  o 83.631  0.3531 84.040  -65.8000  0.40   -0.13  -0.01  0.07   
1 1 1 10 2  7  o 39.965  0.1904 50.546  118.400   -0.36  -0.01  -0.19  0.11   
1 1 1 10 2  8  o 64.854  0.2798 39.182  -4.2000   -0.02  0.21   0.08   -0.23  
1 1 1 10 2  9  o 54.725  0.2454 63.870  -15.3000  0.22   0.03   -0.04  -0.35  
1 1 1 10 2  10 o 49.824  0.3899 56.293  60.600    2.54   1.93   -0.38  -0.89  
1 1 1 10 2  11 o 38.020  0.1771 44.284  -48.2000  -0.89  -0.06  -0.40  -0.17  
1 1 1 10 2  12 o 17.683  0.1406 16.704  151.500   0.97   0.49   -0.46  -1.41  
1 1 1 10 2  13 o 15.099  0.1565 10.427  -85.6000  4.42   -1.82  -5.02  6.87   
1 1 1 10 2  14 o 36.552  0.1876 40.484  -56.8000  -0.20  -0.69  0.09   -0.15  
1 1 1 10 2  15 o 20.782  0.1415 21.357  -7.7000   -0.09  -0.44  0.08   -0.09  
1 1 1 10 2  16 o 25.061  0.2164 25.238  -36.5000  1.40   0.34   -0.52  -0.06  
1 1 1 10 2  17 o 42.427  0.3999 39.012  -129.6000 -4.52  0.01   -1.55  0.76   
1 1 1 10 2  18 o 16.028  0.2768 11.443  23.700    2.75   1.05   -0.79  -0.48  
1 1 1 10 2  19 o 36.466  0.5648 35.796  -31.0000  1.25   -5.60  1.21   0.07   
1 1 1 10 2  20 o 8.0751  0.2243 6.3989  -70.9000  0.04   -0.02  0.02   -0.00  
1 1 1 10 2  21 o 12.138  0.1760 10.468  23.200    0.05   0.11   0.00   0.04   
1 1 1 10 2  22 o 19.548  0.1842 18.002  -150.6000 0.14   0.75   -0.20  -0.31  
1 1 1 10 2  23 o 14.268  0.1890 16.671  -20.0000  0.15   -0.72  0.00   0.17   
1 1 1 10 2  24 o 17.363  0.2119 15.552  -82.7000  0.28   -0.21  0.03   -0.03  
1 1 1 10 2  25 o 16.075  0.4653 15.881  -170.1000 -0.75  -2.60  0.41   0.14   
1 1 1 10 2  26 o 10.964  0.6427 12.139  157.100   0.04   1.11   0.04   -0.04  
1 1 1 10 3  0  o 19.189  0.1500 18.076  -180.0000 -0.04  0.00   0.00   0.00   
1 1 1 10 3  1  o 22.618  0.1196 15.841  -21.5000  0.26   0.17   0.21   -0.12  
1 1 1 10 3  2  o 41.280  0.5474 50.210  -119.1000 1.95   -0.29  -0.37  0.46   
1 1 1 10 3  3  o 41.208  0.7622 31.788  46.200    2.16   1.29   -0.03  -0.51  
1 1 1 10 3  4  o 75.939  1.2995 67.988  19.900    8.98   1.53   -1.96  -0.04  
1 1 1 10 3  5  o 31.056  0.4437 41.024  129.800   1.31   1.15   0.08   -0.47  
1 1 1 10 3  6  o 72.400  0.3186 64.100  76.600    0.02   -0.05  0.00   -0.01  
1 1 1 10 3  7  o 34.716  0.1701 21.211  176.300   -0.16  0.43   0.51   0.05   
1 1 1 10 3  8  o 17.488  0.1093 23.326  49.700    -0.14  -0.15  -0.58  -0.86  
1 1 1 10 3  9  o 25.673  0.5208 34.685  -177.9000 -3.06  -6.84  1.67   -1.74  
1 1 1 10 3  10 o 55.593  0.2435 64.067  -64.4000  0.49   -1.26  0.26   0.40   
1 1 1 10 3  11 o 46.713  0.7484 35.587  78.500    -6.54  3.73   -0.70  1.01   
1 1 1 10 3  12 o 19.815  0.3044 21.824  -89.5000  2.80   1.61   -0.42  -0.91  
1 1 1 10 3  13 o 18.084  0.4921 24.407  -17.3000  6.07   -0.65  -1.28  0.36   
1 1 1 10 3  14 f 29.225  0.1759 21.080  -71.7000  0.29   0.03   0.11   -0.41  
1 1 1 10 3  15 o 13.803  0.2177 12.848  175.800   0.28   2.01   1.10   -0.10  
1 1 1 10 3  16 o 32.120  0.4452 37.885  86.000    3.86   2.74   -0.79  -1.21  
1 1 1 10 3  17 o 22.096  0.1512 21.108  -57.2000  0.09   0.08   -0.01  -0.01  
1 1 1 10 3  18 o 19.736  0.4083 20.482  116.200   -4.43  1.93   -0.86  0.69   
1 1 1 10 3  19 f 18.254  0.5041 19.015  4.1000    3.83   -2.68  -0.49  0.81   
1 1 1 10 3  20 o 14.396  0.1659 13.002  138.500   -0.08  0.19   -0.08  0.06   
1 1 1 10 3  21 o 19.203  0.6417 23.101  33.800    2.69   7.64   1.53   -0.69  
1 1 1 10 3  22 o 25.919  0.1806 25.507  -142.1000 -2.71  -0.13  -0.32  2.15   
1 1 1 10 3  23 o 5.9702  0.3323 4.7013  -141.7000 -0.15  -0.05  0.06   0.05   
1 1 1 10 3  24 o 21.632  0.6366 21.393  152.900   -3.18  -0.77  -0.12  -0.33  
1 1 1 10 3  25 f 5.3977  0.3985 5.7474  -15.2000  -0.14  0.10   0.03   0.00   
1 1 1 10 3  26 o 7.4081  0.4637 7.2416  1.1000    0.32   -0.15  0.03   0.01   
1 1 1 10 4  0  o 26.918  0.1845 12.472  -0.1000   0.08   0.00   0.00   0.00   
1 1 1 10 4  1  o 21.761  0.6393 23.436  9.6000    1.26   0.20   -0.15  -0.10  
1 1 1 10 4  2  o 32.472  0.8054 35.254  102.600   -3.52  0.32   -0.88  -0.12  
1 1 1 10 4  3  o 16.388  0.9200 13.365  -107.0000 -0.18  -2.86  0.43   0.00   
1 1 1 10 4  4  o 30.283  0.9172 17.130  -18.7000  -0.73  -4.92  0.87   -0.14  
1 1 1 10 4  5  o 13.348  0.1166 26.991  56.700    -0.46  -0.20  -0.14  -0.84  
1 1 1 10 4  6  o 24.229  0.1312 18.454  18.400    0.11   -0.11  0.51   0.06   
1 1 1 10 4  7  o 38.347  0.1833 49.941  -2.5000   -0.22  -0.21  0.55   -0.47  
1 1 1 10 4  8  o 52.002  0.8279 51.084  -45.2000  4.07   -2.67  -0.27  0.78   
1 1 1 10 4  9  o 35.643  0.9906 51.516  -71.6000  5.50   -11.82 1.44   1.82   
1 1 1 10 4  10 o 26.410  0.2130 36.437  25.100    0.50   -1.37  0.36   0.37   
1 1 1 10 4  11 o 29.159  0.4290 31.519  -121.2000 -1.39  -3.71  0.63   -0.68  
1 1 1 10 4  12 o 20.198  0.4131 15.294  -176.0000 -5.40  -11.66 5.44   -7.55  
1 1 1 10 4  13 o 44.256  0.2373 42.355  8.3000    1.09   -0.97  3.87   1.04   
1 1 1 10 4  14 o 21.973  0.1926 17.866  169.300   0.15   1.26   0.40   -0.21  
1 1 1 10 4  15 o 23.048  0.7299 18.086  -124.7000 -3.66  -2.01  -0.25  -0.33  
1 1 1 10 4  16 o 31.004  0.1744 35.760  -142.6000 -0.28  -0.09  0.13   0.36   
1 1 1 10 4  17 o 13.915  0.1450 14.553  8.2000    0.02   -0.76  0.42   -0.14  
1 1 1 10 4  18 o 34.842  0.3738 35.435  116.100   -1.95  3.78   0.32   1.18   
1 1 1 10 4  19 o 10.525  0.1890 9.3752  -57.7000  0.13   0.88   0.62   0.13   
1 1 1 10 4  20 o 29.565  0.2743 30.133  -178.2000 -0.52  -3.76  1.63   0.84   
1 1 1 10 4  21 o 19.363  0.2338 18.402  108.700   1.55   0.89   -0.55  -0.19  
1 1 1 10 4  22 o 16.104  0.2663 13.325  166.600   -1.19  -0.55  -0.24  -0.06  
1 1 1 10 4  23 o 10.280  0.2351 8.6066  -66.0000  0.49   -0.05  -0.03  0.11   
1 1 1 10 4  24 o 3.2194  0.8288 3.7999  -30.1000  -0.22  -0.13  -0.01  -0.01  
1 1 1 10 4  25 o 10.385  0.2848 12.103  -108.2000 0.72   -0.50  -0.19  -0.20  
1 1 1 10 4  26 f 8.9647  0.4024 6.6945  -86.2000  0.34   0.24   -0.01  0.05   
1 1 1 10 5  0  o 22.183  0.2077 7.9638  -0.0000   -0.23  0.00   0.00   0.00   
1 1 1 10 5  1  o 40.680  0.2896 27.552  -53.1000  -0.16  -0.48  -0.01  -0.11  
1 1 1 10 5  2  o 60.391  1.0833 74.716  -55.9000  1.31   -3.02  0.44   0.15   
1 1 1 10 5  3  o 14.918  0.8414 11.171  53.500    3.28   1.42   -0.46  -0.65  
1 1 1 10 5  4  o 44.616  0.8752 45.956  101.800   -14.90 4.65   -9.83  3.85   
1 1 1 10 5  5  o 21.303  0.4226 16.465  68.300    -0.85  0.26   -0.09  0.09   
1 1 1 10 5  6  o 51.668  0.2480 37.712  -123.0000 0.73   -0.90  -0.61  1.21   
1 1 1 10 5  7  o 112.653 0.5245 96.918  91.600    -1.26  1.69   -0.15  0.66   
1 1 1 10 5  8  o 51.159  1.1132 34.690  14.800    10.08  -1.66  -1.89  0.52   
1 1 1 10 5  9  f 47.025  0.3527 44.728  168.700   -2.54  0.25   -0.78  0.06   
1 1 1 10 5  10 o 11.186  0.3263 11.161  -172.3000 -3.91  0.04   -1.29  -0.00  
1 1 1 10 5  11 o 44.179  0.9701 37.146  -55.1000  1.88   -13.35 2.44   0.94   
1 1 1 10 5  12 o 52.587  0.4228 51.404  -111.7000 0.61   -2.83  0.49   0.43   
1 1 1 10 5  13 o 24.255  0.1605 21.391  79.800    0.97   0.74   -0.00  -0.57  
1 1 1 10 5  14 o 17.939  0.1733 13.864  86.900    -0.04  -0.08  -0.00  -0.02  
1 1 1 10 5  15 o 18.002  0.3670 15.215  -166.8000 -0.21  -2.24  0.47   -0.02  
1 1 1 10 5  16 o 14.549  0.4064 11.812  65.700    0.03   4.41   1.33   0.12   
1 1 1 10 5  17 o 13.792  0.1479 15.268  -92.3000  0.23   0.07   -0.04  -0.09  
1 1 1 10 5  18 o 20.059  0.1520 22.019  -75.8000  1.19   -0.07  -0.64  -0.27  
1 1 1 10 5  19 o 49.887  0.3894 51.584  64.100    2.76   3.04   1.06   -0.78  
1 1 1 10 5  20 o 7.4728  0.9146 4.5393  -62.8000  4.25   -3.99  -0.08  0.59   
1 1 1 10 5  21 o 22.334  0.2825 17.871  47.000    -0.58  1.93   0.51   -0.05  
1 1 1 10 5  22 o 16.884  0.2236 12.771  -11.6000  0.74   -0.10  -0.06  0.09   
1 1 1 10 5  23 o 9.0557  0.2436 10.073  33.300    0.41   -0.15  0.20   0.14   
1 1 1 10 5  24 o 12.925  0.2095 12.218  -18.3000  0.72   0.88   -0.52  0.48   
1 1 1 10 5  25 o 17.363  0.2431 17.887  -170.7000 -1.16  0.05   0.17   0.15   
1 1 1 10 5  26 o 12.579  0.3131 11.768  -2.4000   1.19   0.50   0.38   0.21   
1 1 1 10 6  0  o 12.708  0.1285 4.7179  0.4000    0.09   0.00   0.00   0.00   
1 1 1 10 6  1  o 50.569  1.2313 48.173  172.200   -3.87  0.83   -0.36  0.35   
1 1 1 10 6  2  f 20.888  0.8373 22.000  107.600   -3.36  2.20   -0.22  1.01   
1 1 1 10 6  3  o 47.796  0.6080 57.205  -99.1000  -1.58  2.15   -0.03  0.62   
1 1 1 10 6  4  o 70.226  0.9551 53.539  164.600   -4.60  5.29   1.00   1.75   
1 1 1 10 6  5  o 38.454  0.8304 38.464  -56.2000  2.20   -5.36  1.28   0.84   
1 1 1 10 6  6  o 38.625  0.2028 31.805  22.600    0.20   1.18   1.03   0.06   
1 1 1 10 6  7  o 38.835  0.6503 35.741  -86.8000  -6.93  -1.34  -2.35  -0.76  
1 1 1 10 6  8  o 57.887  0.2548 58.540  7.9000    0.44   -0.61  0.61   0.52   
1 1 1 10 6  9  o 88.198  0.3654 99.565  122.500   -2.44  -0.37  -0.80  -0.70  
1 1 1 10 6  10 o 59.827  0.4111 60.487  96.900    1.65   3.72   0.69   -1.19  
1 1 1 10 6  11 o 22.324  0.1547 22.977  76.500    0.01   1.26   0.76   -0.19  
1 1 1 10 6  12 o 32.279  0.2975 25.097  -16.7000  1.78   -4.64  3.15   1.70   
1 1 1 10 6  13 o 18.616  0.5868 14.512  123.900   -5.24  5.39   0.11   1.41   
1 1 1 10 6  14 o 40.402  0.3942 37.437  -64.8000  2.12   -0.23  -0.39  -0.03  
1 1 1 10 6  15 o 50.253  0.4418 47.879  30.200    4.62   -2.59  -0.38  2.03   
1 1 1 10 6  16 o 22.777  0.2576 13.388  146.400   -1.28  1.77   0.46   0.69   
1 1 1 10 6  17 o 25.077  0.1564 27.313  132.400   0.34   -0.25  -0.06  0.05   
1 1 1 10 6  18 o 18.165  0.2013 13.313  118.100   0.40   0.77   0.13   -0.09  
1 1 1 10 6  19 o 27.258  0.1792 26.952  -132.8000 0.64   -0.96  -0.14  0.36   
1 1 1 10 6  20 o 14.408  0.4363 13.576  128.200   0.97   1.27   0.00   -0.15  
1 1 1 10 6  21 o 31.242  0.3516 32.251  -42.2000  0.65   -2.18  0.41   -0.14  
1 1 1 10 6  22 o 20.570  0.1920 16.872  -44.9000  -0.09  0.77   0.09   -0.21  
1 1 1 10 6  23 o 15.475  0.5369 15.152  -59.8000  1.14   -3.49  0.27   0.49   
1 1 1 10 6  24 o 4.1400  0.4336 5.6808  -48.0000  0.02   0.14   0.00   -0.02  
1 1 1 10 6  25 o 9.4663  0.4149 10.179  124.800   -0.57  0.56   0.05   0.04   
1 1 1 10 6  26 o 8.0732  1.0985 7.7527  -117.4000 0.40   0.08   -0.00  0.00   
1 1 1 10 7  0  o 46.855  0.3769 56.775  -0.0000   -0.82  0.00   0.00   0.00   
1 1 1 10 7  1  o 10.745  0.2958 22.385  -133.8000 -0.60  -0.87  0.33   -0.45  
1 1 1 10 7  2  o 46.659  1.3709 60.259  79.200    -1.01  3.41   0.31   0.09   
1 1 1 10 7  3  o 15.712  0.1060 7.3143  -61.0000  0.03   -0.14  0.03   0.05   
1 1 1 10 7  4  o 32.058  0.1622 23.235  -22.8000  0.30   -0.62  0.69   -2.51  
1 1 1 10 7  5  o 35.099  0.4247 23.881  -50.1000  1.67   -1.17  -0.10  0.51   
1 1 1 10 7  6  o 34.303  1.0146 25.170  95.600    -5.02  8.81   1.03   2.01   
1 1 1 10 7  7  o 63.946  0.2851 58.282  107.300   -1.22  0.77   -0.46  0.48   
1 1 1 10 7  8  o 33.896  0.3032 23.810  109.800   -2.25  2.43   -0.01  1.56   
1 1 1 10 7  9  o 79.865  1.1679 70.797  -3.8000   12.94  2.35   -2.43  -1.23  
1 1 1 10 7  10 o 18.428  0.8014 17.115  164.500   -8.30  10.44  0.51   2.05   
1 1 1 10 7  11 o 46.053  0.2711 43.438  -158.1000 -2.02  1.50   0.04   1.15   
1 1 1 10 7  12 o 24.234  0.5203 19.876  66.000    2.85   9.93   3.26   -2.42  
1 1 1 10 7  13 o 30.027  0.1744 26.538  -102.0000 1.48   -0.56  -0.39  0.97   
1 1 1 10 7  14 o 32.769  0.3368 38.438  109.900   0.23   2.92   0.79   -0.33  
1 1 1 10 7  15 o 24.408  0.1609 16.396  -153.8000 -0.21  -0.41  1.18   1.78   
1 1 1 10 7  16 o 18.405  0.2978 15.303  28.400    1.15   0.03   -0.17  -0.04  
1 1 1 10 7  17 o 7.2498  0.3266 6.0360  16.300    -0.39  -0.01  -0.02  -0.00  
1 1 1 10 7  18 o 14.187  0.4511 12.026  7.7000    4.84   -4.56  0.10   1.91   
1 1 1 10 7  19 o 13.656  0.3944 13.650  -41.5000  0.73   -4.58  1.47   0.19   
1 1 1 10 7  20 o 12.337  0.1788 12.924  16.500    0.93   -0.65  0.35   0.84   
1 1 1 10 7  21 o 12.383  0.6602 9.0366  -118.9000 -2.62  -4.68  0.57   -0.61  
1 1 1 10 7  22 o 8.3201  0.4608 9.7488  0.4000    1.94   0.83   -0.15  -0.25  
1 1 1 10 7  23 o 3.8196  0.4724 3.0269  70.700    0.14   0.34   0.04   -0.01  
1 1 1 10 7  24 o 4.5224  0.4752 4.2449  117.600   -0.39  0.09   -0.03  -0.16  
1 1 1 10 7  25 o 19.227  0.2253 18.421  119.300   0.06   0.12   -0.00  -0.00  
1 1 1 10 7  26 o 4.7379  0.5821 3.2283  148.600   0.26   0.01   -0.00  -0.01  
1 1 1 10 8  0  o 46.763  0.3544 68.997  0.0000    0.08   0.00   0.00   0.00   
1 1 1 10 8  1  o 51.816  0.5375 39.660  -25.8000  1.68   0.68   -0.00  -0.50  
1 1 1 10 8  2  o 56.361  0.8669 47.196  -96.6000  -7.91  -3.11  -2.97  -1.39  
1 1 1 10 8  3  o 21.578  0.3675 13.208  -67.0000  1.18   0.49   -0.18  -0.29  
1 1 1 10 8  4  o 35.836  0.9593 44.423  -166.9000 -2.00  0.55   -0.13  0.05   
1 1 1 10 8  5  o 26.579  0.8232 23.508  -13.5000  12.58  5.33   -4.48  -4.13  
1 1 1 10 8  6  o 80.916  0.6499 83.767  -79.0000  -0.45  -1.64  0.22   -0.05  
1 1 1 10 8  7  o 48.673  0.2232 25.355  103.600   0.22   0.17   0.13   -0.22  
1 1 1 10 8  8  o 78.299  0.3300 65.527  -51.4000  0.58   -0.19  0.09   -2.37  
1 1 1 10 8  9  o 57.110  0.2524 71.411  -59.5000  -1.02  -2.60  1.24   -2.13  
1 1 1 10 8  10 o 12.692  0.4671 6.0773  141.100   -12.60 3.48   -5.21  2.96   
1 1 1 10 8  11 o 40.051  0.1999 37.071  14.600    -0.44  -0.11  0.02   -0.56  
1 1 1 10 8  12 o 17.954  0.6808 22.349  178.100   -6.76  -15.76 4.02   -3.90  
1 1 1 10 8  13 o 26.486  0.1517 20.471  85.000    -0.26  -0.09  -0.04  0.63   
1 1 1 10 8  14 o 68.102  0.3008 61.919  -100.7000 1.51   -1.49  -2.11  0.15   
1 1 1 10 8  15 o 24.573  0.1491 23.823  126.100   -0.00  0.03   -0.00  -0.01  
1 1 1 10 8  16 o 23.237  0.1502 23.160  -20.4000  0.31   0.05   -0.21  0.28   
1 1 1 10 8  17 o 24.954  0.3462 19.280  -4.1000   0.08   -1.20  0.12   0.05   
1 1 1 10 8  18 o 39.040  0.2126 33.651  -61.9000  1.80   0.15   -0.55  0.33   
1 1 1 10 8  19 f 10.265  0.1912 8.6300  -8.4000   0.39   0.05   -0.16  0.06   
1 1 1 10 8  20 o 14.440  0.3012 13.069  89.800    0.72   1.82   0.50   -0.13  
1 1 1 10 8  21 o 19.885  0.1689 17.513  -30.2000  0.91   0.35   0.10   -0.31  
1 1 1 10 8  22 o 22.490  0.1860 24.040  -144.1000 -0.93  0.16   -0.15  -0.19  
1 1 1 10 8  23 o 11.579  0.2056 13.471  -133.6000 0.37   -0.25  0.05   -0.22  
1 1 1 10 8  24 o 6.6415  0.3590 4.9662  -137.5000 -0.34  -0.04  -0.02  0.06   
1 1 1 10 8  25 o 15.917  0.3652 15.641  62.100    -0.17  1.87   0.03   0.31   
1 1 1 10 8  26 o 7.0246  0.4248 7.4230  88.400    -0.63  -0.00  -0.02  0.05   
1 1 1 10 9  0  o 71.802  0.4835 69.614  0.0000    1.18   0.00   0.00   0.00   
1 1 1 10 9  1  f 45.000  0.7402 29.435  58.100    1.99   3.72   0.32   -1.02  
1 1 1 10 9  2  o 19.636  0.4118 25.370  -47.5000  0.46   -0.81  0.05   0.13   
1 1 1 10 9  3  o 35.389  0.6195 37.282  -97.7000  0.03   -1.89  0.27   0.07   
1 1 1 10 9  4  o 33.216  0.4344 27.113  52.900    5.25   -4.09  -2.07  5.04   
1 1 1 10 9  5  o 46.844  0.3773 38.027  -69.0000  -1.78  -0.85  -0.29  -0.65  
1 1 1 10 9  6  o 46.203  0.2150 32.483  -10.8000  0.59   0.28   0.44   -2.06  
1 1 1 10 9  7  o 47.237  0.2284 45.045  -20.6000  -0.15  0.07   0.10   0.18   
1 1 1 10 9  8  o 28.552  0.1720 44.242  19.900    -0.75  1.34   0.61   0.77   
1 1 1 10 9  9  o 33.251  0.6637 5.5378  -129.9000 -10.81 -1.38  -3.96  -0.79  
1 1 1 10 9  10 o 38.357  0.2481 47.963  7.1000    2.37   1.97   -0.51  -1.43  
1 1 1 10 9  11 o 30.180  0.2852 11.153  49.300    1.00   2.65   0.93   -0.57  
1 1 1 10 9  12 o 36.349  0.5773 29.212  145.200   -5.03  5.92   0.06   1.97   
1 1 1 10 9  13 o 25.571  0.1703 20.475  150.500   0.29   0.50   1.52   0.87   
1 1 1 10 9  14 o 26.090  0.3953 20.373  -145.3000 -0.61  -0.11  -0.03  -0.01  
1 1 1 10 9  15 o 38.240  0.1944 39.502  26.800    0.86   0.60   0.22   -0.60  
1 1 1 10 9  16 o 28.092  0.6055 26.938  41.700    7.34   1.87   -1.43  -0.56  
1 1 1 10 9  17 o 32.652  0.4471 34.479  158.500   -1.31  -4.32  1.02   -0.32  
1 1 1 10 9  18 o 26.346  0.4160 31.431  -141.7000 -0.98  -1.74  0.06   -0.24  
1 1 1 10 9  19 o 12.047  0.4001 13.207  71.200    1.18   4.22   0.81   -0.71  
1 1 1 10 9  20 o 8.4229  0.2232 7.2048  39.600    -0.38  0.25   -0.18  0.06   
1 1 1 10 9  21 o 4.2424  0.3673 2.6350  142.700   0.15   0.21   0.12   -0.04  
1 1 1 10 9  22 o 4.8160  0.3703 5.1700  108.100   0.01   0.01   -0.00  -0.00  
1 1 1 10 9  23 o 6.6528  0.4227 5.5991  90.700    0.76   -0.98  0.12   0.14   
1 1 1 10 9  24 o 4.4476  0.4372 3.0722  -36.8000  0.23   -0.17  -0.04  -0.13  
1 1 1 10 9  25 o 7.3894  0.3894 6.4421  -115.3000 0.24   0.31   0.05   0.02   
1 1 1 10 9  26 f 9.0423  0.6391 8.2485  165.800   -0.09  -0.07  -0.00  0.00   
1 1 1 10 10 0  o 63.655  0.7882 63.415  -0.0000   0.54   0.00   0.00   0.00   
1 1 1 10 10 1  o 35.125  0.2726 40.961  90.000    0.00   0.01   0.00   0.00   
1 1 1 10 10 2  o 71.374  0.4234 56.420  -0.0000   0.55   0.00   0.00   0.00   
1 1 1 10 10 3  o 44.588  0.2830 36.650  89.900    0.00   0.23   0.00   0.00   
1 1 1 10 10 4  f 76.604  0.4529 69.294  -180.0000 -0.12  0.00   0.00   0.00   
1 1 1 10 10 5  o 78.631  0.4753 79.847  -90.0000  -0.00  -0.61  0.00   0.00   
1 1 1 10 10 6  f 56.180  0.4450 50.659  -0.0000   -0.26  0.00   0.00   0.00   
1 1 1 10 10 7  o 64.664  0.3874 60.331  -90.0000  -0.00  -0.05  0.00   0.00   
1 1 1 10 10 8  o 64.231  0.3969 39.974  0.0000    0.01   0.00   0.00   0.00   
1 1 1 10 10 9  o 25.205  0.2261 34.192  90.000    -0.00  -0.00  0.00   0.00   
1 1 1 10 10 10 o 10.188  0.1689 2.8001  -0.2000   0.02   0.00   0.00   0.00   
1 1 1 10 10 11 f 14.734  0.1644 29.714  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 10 10 12 o 8.3606  0.2043 14.123  0.1000    -0.05  0.00   0.00   0.00   
1 1 1 10 10 13 o 72.374  0.4599 63.932  90.000    0.00   0.72   0.00   0.00   
1 1 1 10 10 14 o 2.3238  0.5170 0.2270  179.400   -0.01  0.00   0.00   0.00   
1 1 1 10 10 15 o 10.344  0.2270 14.222  90.000    -0.00  -0.02  0.00   0.00   
1 1 1 10 10 16 o 13.149  0.2901 0.7422  178.400   0.04   0.00   0.00   0.00   
1 1 1 10 10 17 o 28.867  0.2609 23.492  -90.0000  -0.00  -0.16  0.00   0.00   
1 1 1 10 10 18 o 9.7160  0.2849 6.0772  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 10 10 19 o 13.896  0.2405 9.7518  90.000    0.00   0.04   0.00   0.00   
1 1 1 10 10 20 o 32.920  0.2622 40.077  0.0000    0.28   0.00   0.00   0.00   
1 1 1 10 10 21 o 6.6182  0.3917 7.1975  90.000    -0.00  -0.05  0.00   0.00   
1 1 1 10 10 22 o 5.0892  0.5069 3.7040  0.0000    0.08   0.00   0.00   0.00   
1 1 1 10 10 23 o 23.399  0.2641 21.088  90.000    -0.00  -0.62  0.00   0.00   
1 1 1 10 10 24 o 3.6469  0.7110 2.5848  0.0000    0.12   0.00   0.00   0.00   
1 1 1 10 10 25 o 13.849  0.3623 15.197  90.000    0.00   0.42   0.00   0.00   
1 1 1 10 10 26 o 0.0000  2.9833 1.2531  -180.0000 -0.00  0.00   0.00   0.00   
1 1 1 11 0  1  o 24.809  0.1840 26.909  -135.0000 -0.17  -0.17  0.00   0.00   
1 1 1 11 0  2  o 18.149  0.1557 15.599  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 11 0  3  o 15.962  0.1428 15.488  135.100   0.10   -0.10  0.00   0.00   
1 1 1 11 0  4  o 34.073  0.2346 8.9382  -89.8000  0.00   0.11   0.00   0.00   
1 1 1 11 0  5  o 9.5917  0.1539 24.892  45.000    -0.00  -0.00  0.00   0.00   
1 1 1 11 0  6  o 16.291  0.1520 17.380  179.900   0.10   0.00   0.00   0.00   
1 1 1 11 0  7  o 17.286  0.1917 5.8669  135.200   -0.01  0.01   0.00   0.00   
1 1 1 11 0  8  o 28.300  0.2052 50.335  90.000    0.00   0.07   0.00   0.00   
1 1 1 11 0  9  o 52.839  0.3403 37.702  45.000    0.14   0.14   0.00   0.00   
1 1 1 11 0  10 o 63.978  0.3861 81.485  180.000   -0.12  0.00   0.00   0.00   
1 1 1 11 0  11 o 84.322  0.5157 100.940 135.000   -0.24  0.24   0.00   0.00   
1 1 1 11 0  12 o 39.638  0.2955 30.958  -90.0000  -0.00  -0.31  0.00   0.00   
1 1 1 11 0  13 o 36.274  0.2546 25.038  -135.0000 -0.02  -0.02  0.00   0.00   
1 1 1 11 0  14 o 14.297  0.1966 2.3468  178.500   -0.13  0.00   0.00   0.00   
1 1 1 11 0  15 o 27.091  0.2885 27.510  -45.1000  0.09   -0.09  0.00   0.00   
1 1 1 11 0  16 o 5.6657  0.3250 10.448  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 11 0  17 o 22.661  0.2185 22.646  -135.0000 -0.11  -0.11  0.00   0.00   
1 1 1 11 0  18 o 9.4393  0.2577 5.3527  179.700   0.16   0.00   0.00   0.00   
1 1 1 11 0  19 o 6.6708  0.3822 4.2175  -45.2000  0.02   -0.02  0.00   0.00   
1 1 1 11 0  20 o 2.6077  0.7149 3.7736  -90.1000  -0.00  -0.01  0.00   0.00   
1 1 1 11 0  21 o 11.185  0.2663 10.210  45.000    0.13   0.13   0.00   0.00   
1 1 1 11 0  22 o 6.4885  0.3780 4.6567  0.0000    0.00   0.00   0.00   0.00   
1 1 1 11 0  23 o 9.5864  0.3665 7.8389  135.000   0.05   -0.05  0.00   0.00   
1 1 1 11 0  24 o 11.252  0.3656 10.363  -90.0000  -0.00  -0.16  0.00   0.00   
1 1 1 11 0  25 f 27.216  0.3034 29.207  -135.0000 -0.78  -0.78  0.00   0.00   
1 1 1 11 0  26 o 0.7071  1.4189 0.5338  180.000   0.01   0.00   0.00   0.00   
1 1 1 11 1  0  o 44.050  0.2932 20.971  -180.0000 -0.74  0.00   0.00   0.00   
1 1 1 11 1  1  o 64.176  0.5133 76.513  -112.2000 -0.21  -0.76  -0.00  -0.10  
1 1 1 11 1  2  f 48.824  0.3017 59.308  -121.8000 -0.11  -0.74  0.13   0.17   
1 1 1 11 1  3  o 21.068  0.1282 2.4144  -173.9000 -0.61  -0.52  -1.75  -0.10  
1 1 1 11 1  4  o 27.224  0.9902 59.074  -112.9000 -1.38  -7.98  1.77   -0.86  
1 1 1 11 1  5  o 60.416  0.8217 62.272  -154.6000 -4.32  -1.45  -0.59  -0.92  
1 1 1 11 1  6  o 75.822  0.3250 77.932  28.800    -0.15  1.23   0.47   -0.19  
1 1 1 11 1  7  o 70.195  1.0004 55.863  122.300   -8.06  1.29   -1.86  0.39   
1 1 1 11 1  8  f 64.903  0.2944 35.917  -140.7000 -0.69  -0.18  -0.10  -0.11  
1 1 1 11 1  9  o 52.829  0.2320 30.568  27.600    0.75   1.13   1.12   -1.16  
1 1 1 11 1  10 o 67.707  0.7393 75.845  32.900    0.45   7.56   1.94   0.01   
1 1 1 11 1  11 o 31.221  0.1608 38.281  -74.2000  1.08   -0.63  -6.20  0.52   
1 1 1 11 1  12 o 45.787  0.2119 41.057  142.600   0.09   -0.05  -0.02  -0.01  
1 1 1 11 1  13 o 22.720  0.1413 36.171  -20.7000  0.06   -0.05  -0.04  0.01   
1 1 1 11 1  14 o 15.801  0.1318 6.4418  138.700   -0.14  0.17   0.03   0.05   
1 1 1 11 1  15 o 22.231  0.2193 21.175  119.300   -1.76  -1.05  -0.23  -1.09  
1 1 1 11 1  16 o 12.028  0.4478 4.8209  -29.6000  -0.62  -0.47  -0.01  -0.03  
1 1 1 11 1  17 f 19.141  0.2992 19.467  -20.9000  1.61   -1.53  -0.17  0.61   
1 1 1 11 1  18 o 5.6087  0.2450 4.6657  123.800   -0.05  0.03   0.09   0.05   
1 1 1 11 1  19 o 34.353  0.4832 32.532  142.100   -6.18  2.18   -1.97  0.57   
1 1 1 11 1  20 o 20.666  0.1643 23.709  -165.0000 0.18   -0.03  0.01   0.03   
1 1 1 11 1  21 o 7.9038  0.2541 6.5592  -179.1000 0.37   -0.36  -0.05  0.09   
1 1 1 11 1  22 o 8.1356  0.3206 7.7891  -60.7000  0.96   -1.64  0.08   0.52   
1 1 1 11 1  23 o 12.774  0.7582 13.063  -35.9000  5.02   -1.20  -0.60  0.12   
1 1 1 11 1  24 o 15.517  0.2041 16.127  126.000   -0.57  -0.23  0.15   0.05   
1 1 1 11 1  25 o 11.362  0.2464 11.915  65.300    0.31   0.85   -0.33  -0.01  
1 1 1 11 1  26 o 5.1148  0.5366 3.0052  -15.9000  -0.13  0.48   0.00   0.03   
1 1 1 11 2  0  o 11.533  0.1244 5.3655  -0.3000   -0.14  0.00   0.00   0.00   
1 1 1 11 2  1  o 10.326  0.7916 17.427  -94.6000  2.35   -2.09  -0.01  0.68   
1 1 1 11 2  2  o 12.554  0.3553 19.222  36.300    0.71   0.55   0.00   -0.28  
1 1 1 11 2  3  o 15.351  0.3937 14.493  -114.4000 -0.83  1.74   0.40   1.00   
1 1 1 11 2  4  o 57.025  0.3326 61.594  -143.7000 -0.07  -1.25  0.27   -0.34  
1 1 1 11 2  5  o 97.733  0.4591 96.453  -137.9000 -2.21  0.20   -0.15  0.76   
1 1 1 11 2  6  o 57.568  0.8665 54.304  106.600   4.13   6.47   0.62   -2.08  
1 1 1 11 2  7  o 62.958  0.4144 66.995  105.100   -1.87  1.51   0.01   0.89   
1 1 1 11 2  8  o 20.721  0.3198 23.268  -79.1000  -0.60  -0.68  0.01   -0.15  
1 1 1 11 2  9  o 113.896 0.4610 102.301 -27.6000  0.53   0.49   0.17   -0.16  
1 1 1 11 2  10 o 57.252  0.5216 45.594  -166.6000 -3.45  1.54   -0.62  0.54   
1 1 1 11 2  11 o 30.504  0.2253 36.771  164.800   0.55   -0.01  -0.06  0.02   
1 1 1 11 2  12 o 19.806  0.2485 16.384  -124.4000 -2.66  -1.06  -0.76  -0.92  
1 1 1 11 2  13 o 19.794  0.4432 25.680  -61.6000  -1.37  -3.82  0.54   -0.51  
1 1 1 11 2  14 o 28.846  0.1776 34.318  -64.9000  0.91   -0.36  -2.85  -1.70  
1 1 1 11 2  15 o 27.986  0.3143 22.795  -104.1000 -0.34  -0.09  -0.02  -0.00  
1 1 1 11 2  16 f 13.575  0.1520 22.061  -51.1000  0.03   -0.25  0.03   0.02   
1 1 1 11 2  17 o 39.453  0.6961 37.519  80.700    6.09   2.13   -0.95  -0.47  
1 1 1 11 2  18 o 12.167  0.1542 12.867  -92.7000  0.55   -0.60  -0.55  1.00   
1 1 1 11 2  19 o 24.440  0.5375 22.294  134.700   -6.64  -0.14  -1.52  0.29   
1 1 1 11 2  20 o 9.7193  0.2014 7.7458  57.100    0.06   0.11   -0.01  0.11   
1 1 1 11 2  21 o 10.581  0.1990 11.337  123.700   -0.04  0.46   0.15   -0.24  
1 1 1 11 2  22 o 10.907  0.2165 12.289  152.000   -0.39  -0.10  -0.02  -0.05  
1 1 1 11 2  23 o 7.2900  0.5616 6.3538  -18.8000  2.49   -3.16  0.49   0.83   
1 1 1 11 2  24 o 4.9717  0.8060 4.7483  13.500    0.13   -0.90  0.03   0.02   
1 1 1 11 2  25 o 11.950  0.2467 10.635  -18.2000  0.87   0.67   0.25   -0.06  
1 1 1 11 2  26 o 5.3074  0.5663 6.0115  -152.5000 0.14   0.62   -0.13  0.09   
1 1 1 11 3  0  o 28.787  0.2138 10.188  0.0000    0.24   0.00   0.00   0.00   
1 1 1 11 3  1  f 52.539  1.3655 53.435  131.900   -6.36  4.58   -1.00  1.30   
1 1 1 11 3  2  o 32.361  1.9944 30.959  -121.3000 -12.03 -13.87 1.04   -3.75  
1 1 1 11 3  3  o 45.570  0.5313 46.124  -103.4000 -0.63  -1.33  -0.00  -0.34  
1 1 1 11 3  4  o 32.225  0.4484 37.248  -36.2000  -0.64  -1.61  0.40   -0.20  
1 1 1 11 3  5  f 36.050  0.5209 51.233  12.400    0.84   1.28   0.17   -0.20  
1 1 1 11 3  6  o 38.257  0.9525 31.937  -90.8000  -3.78  -8.55  1.41   -1.80  
1 1 1 11 3  7  o 79.125  0.3792 79.500  -99.0000  -1.15  -2.00  0.19   -1.10  
1 1 1 11 3  8  o 99.051  0.4121 112.040 101.300   -0.19  -0.11  0.03   -0.04  
1 1 1 11 3  9  o 29.138  0.2673 19.466  -1.8000   2.32   -1.12  -0.76  0.82   
1 1 1 11 3  10 o 143.061 0.9088 119.168 -39.4000  3.87   2.63   0.36   -1.03  
1 1 1 11 3  11 o 13.951  0.1550 14.176  63.800    -1.24  -0.24  -0.55  -0.30  
1 1 1 11 3  12 o 27.989  0.1543 23.415  -13.6000  0.69   -0.40  -0.43  0.31   
1 1 1 11 3  13 o 31.610  0.1995 25.189  23.700    0.66   -0.14  -0.09  0.08   
1 1 1 11 3  14 o 11.793  0.1455 6.6519  -49.4000  1.97   0.80   -1.76  -1.21  
1 1 1 11 3  15 o 43.396  0.4891 40.816  149.000   -0.48  3.91   1.03   -0.07  
1 1 1 11 3  16 o 20.615  0.4732 16.318  -99.0000  1.60   -2.58  0.26   0.39   
1 1 1 11 3  17 o 22.303  0.4178 26.893  118.000   -1.03  2.82   0.47   0.27   
1 1 1 11 3  18 o 10.205  0.1714 9.0902  -3.1000   -0.07  -0.11  -0.01  -0.05  
1 1 1 11 3  19 o 32.386  0.1755 32.005  -18.1000  0.08   -0.23  -0.03  -0.07  
1 1 1 11 3  20 o 16.294  0.1544 16.071  141.800   -0.27  0.21   0.27   -0.15  
1 1 1 11 3  21 o 7.0765  0.2608 9.4247  -54.2000  0.05   -0.16  0.04   -0.14  
1 1 1 11 3  22 o 15.221  0.1880 13.830  150.800   -0.35  -0.17  0.20   -0.02  
1 1 1 11 3  23 o 7.2789  0.2782 3.8778  138.200   -0.06  0.42   -0.23  0.27   
1 1 1 11 3  24 o 2.4681  0.6337 2.2836  -139.7000 0.23   -0.05  -0.05  -0.05  
1 1 1 11 3  25 o 4.9273  0.4879 5.7863  -52.4000  1.30   -1.22  0.25   0.35   
1 1 1 11 3  26 o 13.317  0.3120 15.205  -5.8000   -0.42  -0.27  0.03   0.04   
1 1 1 11 4  0  o 18.262  0.1413 15.186  -0.0000   -0.04  0.00   0.00   0.00   
1 1 1 11 4  1  o 29.437  2.1113 23.975  -129.3000 -15.44 -1.76  -2.30  -0.80  
1 1 1 11 4  2  o 50.780  0.2250 48.444  92.500    -0.10  0.30   -0.05  0.04   
1 1 1 11 4  3  o 19.463  0.1522 5.8424  -10.7000  -0.03  -0.16  0.02   -0.03  
1 1 1 11 4  4  o 60.810  0.7269 67.434  42.300    0.77   2.43   0.42   -0.09  
1 1 1 11 4  5  o 24.500  0.3731 14.374  60.900    2.33   -0.18  -1.15  -0.12  
1 1 1 11 4  6  o 32.061  0.1600 41.992  -20.5000  -0.43  0.06   -1.06  -1.56  
1 1 1 11 4  7  o 25.886  0.1519 11.553  -64.3000  -0.07  0.30   0.22   0.03   
1 1 1 11 4  8  o 44.062  0.7331 35.497  143.300   8.33   -0.42  -1.85  0.09   
1 1 1 11 4  9  o 50.460  0.6468 38.784  -34.3000  4.06   -6.68  0.78   1.85   
1 1 1 11 4  10 o 53.457  0.2747 34.297  -17.8000  0.46   0.32   0.54   -0.55  
1 1 1 11 4  11 o 29.203  0.4626 22.941  3.4000    4.55   2.22   -0.71  -1.13  
1 1 1 11 4  12 o 35.025  0.1841 32.017  105.500   -0.28  -0.02  -0.03  -0.30  
1 1 1 11 4  13 o 31.522  0.3892 30.839  128.300   0.96   4.89   1.66   -0.39  
1 1 1 11 4  14 o 33.060  0.2854 35.679  -81.7000  3.27   0.04   -1.46  -0.47  
1 1 1 11 4  15 o 34.528  0.1770 40.469  -163.3000 0.21   0.06   0.01   -0.09  
1 1 1 11 4  16 o 22.198  0.6787 21.370  -67.3000  2.64   -0.84  -0.14  0.12   
1 1 1 11 4  17 o 22.253  0.2980 16.339  89.200    1.02   0.33   -0.13  -0.05  
1 1 1 11 4  18 o 11.337  0.1624 12.854  -10.7000  0.13   -0.81  0.59   0.60   
1 1 1 11 4  19 o 17.297  0.4404 14.705  50.100    3.57   3.14   -0.39  -1.14  
1 1 1 11 4  20 o 36.308  0.2238 37.113  -140.4000 -0.74  0.36   -0.11  -0.03  
1 1 1 11 4  21 o 8.0699  0.2505 3.0080  -113.2000 -0.02  0.03   0.00   -0.00  
1 1 1 11 4  22 o 19.492  0.1838 16.906  154.900   0.69   0.26   0.16   -0.21  
1 1 1 11 4  23 o 10.980  0.2200 9.9236  62.400    0.88   0.83   1.30   0.08   
1 1 1 11 4  24 f 23.265  0.1926 18.152  -118.9000 -1.41  -1.86  -0.79  0.22   
1 1 1 11 4  25 o 6.6353  1.1014 7.8903  -128.2000 -1.71  -0.44  -0.06  -0.07  
1 1 1 11 4  26 o 11.239  0.3000 10.848  54.800    -1.03  0.64   -0.19  -0.09  
1 1 1 11 5  0  o 44.748  0.3041 36.265  0.1000    0.22   0.00   0.00   0.00   
1 1 1 11 5  1  o 31.104  1.5052 27.018  -36.0000  9.77   -1.95  -1.94  0.46   
1 1 1 11 5  2  o 12.589  0.6344 17.417  20.700    1.98   -0.16  -0.41  0.13   
1 1 1 11 5  3  o 41.269  1.1145 45.461  -169.6000 -7.13  0.38   -1.28  -0.07  
1 1 1 11 5  4  o 45.442  0.5947 44.902  -69.0000  2.56   -1.76  -0.03  0.88   
1 1 1 11 5  5  o 82.568  0.5408 75.844  43.100    -0.43  2.18   0.39   0.40   
1 1 1 11 5  6  f 75.693  0.3211 59.835  40.900    -0.03  -0.01  0.00   -0.00  
1 1 1 11 5  7  o 85.855  0.3579 75.356  11.900    0.34   -0.12  0.13   0.25   
1 1 1 11 5  8  o 74.607  0.7070 56.078  102.500   -0.37  5.15   1.14   0.01   
1 1 1 11 5  9  o 11.650  0.1367 11.510  80.800    -1.11  -0.95  -0.22  -1.01  
1 1 1 11 5  10 o 51.451  0.3708 39.673  143.300   -0.85  -2.23  0.43   -0.27  
1 1 1 11 5  11 o 23.668  0.2804 42.388  -71.4000  0.21   0.73   0.06   -0.05  
1 1 1 11 5  12 o 17.289  0.1235 19.444  -59.5000  -0.31  -0.28  0.24   -0.54  
1 1 1 11 5  13 o 54.267  0.2504 54.894  -166.9000 -0.08  -0.02  0.01   0.01   
1 1 1 11 5  14 o 23.090  0.3451 26.558  2.6000    2.48   1.53   -0.23  -0.71  
1 1 1 11 5  15 o 15.870  0.1926 9.1446  -47.5000  1.37   -0.31  -0.43  0.13   
1 1 1 11 5  16 o 16.936  0.1364 16.733  54.600    -0.19  0.31   -0.02  0.19   
1 1 1 11 5  17 o 24.940  0.7120 24.652  -75.5000  -2.29  -10.20 2.16   -0.73  
1 1 1 11 5  18 o 36.412  0.1873 40.946  -56.7000  -0.01  -0.17  0.00   0.03   
1 1 1 11 5  19 o 12.269  0.3561 14.362  124.000   -1.13  3.02   0.78   0.45   
1 1 1 11 5  20 o 27.541  0.4295 30.522  -48.0000  -0.53  -2.54  0.24   -0.29  
1 1 1 11 5  21 f 10.137  0.2039 7.4861  -60.7000  0.51   -0.95  1.51   -0.44  
1 1 1 11 5  22 o 9.3341  0.3862 10.224  -115.5000 0.03   -2.16  0.40   0.14   
1 1 1 11 5  23 o 13.496  0.2070 12.310  133.100   -0.17  0.59   -0.04  0.12   
1 1 1 11 5  24 o 12.421  0.2265 11.946  96.300    0.47   0.27   0.11   0.13   
1 1 1 11 5  25 o 13.664  0.2368 13.202  -48.9000  0.40   -1.11  -0.17  -0.40  
1 1 1 11 5  26 o 14.194  0.3605 15.157  -55.1000  1.76   0.36   0.35   -0.15  
1 1 1 11 6  0  o 30.786  0.2417 28.831  180.000   0.08   0.00   0.00   0.00   
1 1 1 11 6  1  o 52.134  1.4035 36.400  131.000   -1.79  7.49   1.04   1.04   
1 1 1 11 6  2  o 31.292  0.7962 18.016  -62.7000  8.21   -3.80  -1.99  3.34   
1 1 1 11 6  3  o 43.676  0.2409 31.032  -39.6000  -0.87  -1.30  -0.43  -1.10  
1 1 1 11 6  4  o 82.886  1.2514 79.164  -150.8000 -7.48  -0.94  -1.47  0.18   
1 1 1 11 6  5  o 57.774  0.6449 43.188  -51.4000  0.68   -1.19  0.04   0.11   
1 1 1 11 6  6  o 102.927 0.7926 89.139  169.600   -4.85  4.00   0.56   2.44   
1 1 1 11 6  7  o 81.070  0.3413 78.570  24.000    0.15   0.15   -0.06  0.28   
1 1 1 11 6  8  o 23.534  0.3594 44.962  -40.8000  3.68   1.68   -0.96  -1.02  
1 1 1 11 6  9  o 33.008  0.2168 26.532  170.200   1.38   -2.71  2.29   5.30   
1 1 1 11 6  10 o 45.167  0.9179 48.149  45.200    11.21  6.89   -0.93  -2.14  
1 1 1 11 6  11 o 24.436  0.3956 16.231  -72.3000  -0.30  -3.50  0.81   -0.07  
1 1 1 11 6  12 o 34.746  0.6755 28.935  -151.0000 -4.51  -0.50  -0.47  -0.16  
1 1 1 11 6  13 o 8.4874  0.1528 9.2694  -7.8000   0.30   -0.19  0.05   0.79   
1 1 1 11 6  14 f 16.053  0.5223 24.086  138.400   -6.70  2.42   -1.45  1.05   
1 1 1 11 6  15 o 25.073  0.7486 16.102  -96.1000  -4.88  -11.05 1.41   -1.76  
1 1 1 11 6  16 o 12.487  0.2892 10.662  84.600    3.14   0.57   -1.06  -0.54  
1 1 1 11 6  17 o 31.864  0.1697 35.421  121.100   -0.19  0.49   -0.27  0.36   
1 1 1 11 6  18 o 18.016  0.1849 21.927  128.700   1.55   1.97   -0.13  -1.49  
1 1 1 11 6  19 o 19.371  0.2552 18.412  137.400   0.02   0.23   0.01   -0.00  
1 1 1 11 6  20 o 8.7198  0.2241 9.4572  96.600    -0.21  1.13   0.39   -0.04  
1 1 1 11 6  21 o 18.567  0.1722 16.909  -83.6000  0.51   0.18   0.21   -0.14  
1 1 1 11 6  22 o 17.762  0.2546 18.103  78.000    0.94   0.05   -0.09  -0.09  
1 1 1 11 6  23 o 20.227  0.3310 20.970  -86.6000  0.73   -3.08  0.09   0.96   
1 1 1 11 6  24 o 7.5674  0.6298 8.0465  156.400   0.73   0.62   -0.03  -0.04  
1 1 1 11 6  25 o 5.0357  0.4857 4.4740  73.600    0.35   0.11   -0.04  0.04   
1 1 1 11 6  26 o 5.8597  0.5133 7.4493  -41.3000  0.30   -0.36  -0.06  -0.01  
1 1 1 11 7  0  o 4.5387  0.1076 21.445  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 11 7  1  o 22.619  0.2213 20.993  -79.1000  0.24   -0.30  0.05   0.07   
1 1 1 11 7  2  o 27.854  0.2324 22.738  -67.8000  0.77   -0.76  0.28   0.54   
1 1 1 11 7  3  o 39.952  0.8515 45.987  142.600   -3.03  -0.36  -0.40  -0.01  
1 1 1 11 7  4  o 57.359  0.5116 51.930  64.400    0.43   2.72   0.63   -0.70  
1 1 1 11 7  5  o 35.853  0.1724 39.627  83.000    0.06   -0.18  0.01   0.03   
1 1 1 11 7  6  o 44.810  0.7421 33.163  171.600   -2.03  4.75   0.95   0.78   
1 1 1 11 7  7  o 42.004  1.0033 41.162  101.800   -8.56  5.14   -1.07  1.80   
1 1 1 11 7  8  o 103.456 0.4245 83.530  155.500   -0.76  -0.49  -0.13  -0.10  
1 1 1 11 7  9  o 52.740  0.2380 53.791  -93.3000  0.90   -0.28  -0.99  0.10   
1 1 1 11 7  10 o 29.234  0.1740 5.8114  -12.6000  2.25   0.18   -1.47  -0.02  
1 1 1 11 7  11 o 14.653  0.4866 18.442  131.400   -1.07  5.56   1.26   0.44   
1 1 1 11 7  12 o 54.335  0.3888 51.130  85.000    0.89   1.32   0.16   -0.18  
1 1 1 11 7  13 o 22.437  0.1654 21.269  -3.8000   0.50   -0.20  -0.06  0.11   
1 1 1 11 7  14 o 44.601  0.2104 48.673  114.200   -0.12  -0.39  0.17   0.22   
1 1 1 11 7  15 o 43.710  0.2046 35.008  79.400    1.32   -0.74  0.00   0.62   
1 1 1 11 7  16 o 38.813  0.1919 39.695  138.600   0.18   0.81   0.09   -0.41  
1 1 1 11 7  17 o 41.535  0.3876 40.549  -117.6000 1.59   -1.49  0.16   0.35   
1 1 1 11 7  18 o 5.4563  0.2632 5.3033  66.700    0.43   0.31   -0.02  -0.09  
1 1 1 11 7  19 o 15.189  0.1835 11.051  1.3000    0.46   0.04   0.82   -0.32  
1 1 1 11 7  20 o 8.8621  0.2198 9.8317  75.000    0.16   0.01   -0.01  -0.03  
1 1 1 11 7  21 o 14.398  0.1897 15.317  -53.6000  1.78   -0.18  -0.97  -0.87  
1 1 1 11 7  22 o 14.962  0.1937 15.769  46.900    0.54   0.35   0.44   0.53   
1 1 1 11 7  23 o 11.206  0.4428 8.5000  42.500    -0.55  -0.77  0.05   -0.04  
1 1 1 11 7  24 o 4.5562  0.5260 4.8661  178.000   0.08   -0.26  0.00   0.01   
1 1 1 11 7  25 o 6.0182  0.3838 4.7195  161.400   -0.58  0.17   0.03   0.12   
1 1 1 11 7  26 o 8.6345  0.3733 9.4187  71.600    0.39   0.59   -0.07  -0.04  
1 1 1 11 8  0  o 45.470  0.3188 57.693  -180.0000 -0.25  0.00   0.00   0.00   
1 1 1 11 8  1  o 50.822  1.3015 51.025  91.500    -2.82  8.95   1.57   0.72   
1 1 1 11 8  2  o 15.895  0.2419 9.3292  -144.7000 -0.10  -0.98  0.47   0.03   
1 1 1 11 8  3  o 25.276  0.1519 5.3766  135.900   -0.93  0.04   -0.74  0.68   
1 1 1 11 8  4  o 58.740  0.2551 34.785  4.5000    1.01   -0.23  -0.31  0.58   
1 1 1 11 8  5  o 52.821  0.2521 68.831  118.400   0.82   0.83   0.22   -0.48  
1 1 1 11 8  6  o 101.183 1.2547 109.719 169.700   -6.98  -2.42  -1.19  -0.63  
1 1 1 11 8  7  o 33.969  0.1671 44.833  56.300    0.03   0.03   -0.06  0.03   
1 1 1 11 8  8  o 55.690  0.5867 54.351  -163.9000 -0.30  0.75   0.02   0.03   
1 1 1 11 8  9  o 23.707  0.3486 26.509  137.700   -1.79  1.26   -0.14  0.34   
1 1 1 11 8  10 o 33.010  0.2280 40.628  121.600   1.04   2.94   1.72   -0.98  
1 1 1 11 8  11 o 25.862  0.5803 25.799  65.900    9.42   1.97   -3.29  -1.13  
1 1 1 11 8  12 o 16.520  0.2104 13.566  132.300   1.77   -0.96  -0.53  0.61   
1 1 1 11 8  13 o 33.445  0.9579 33.801  -98.9000  -8.77  -7.07  -0.21  -1.89  
1 1 1 11 8  14 o 38.037  0.4706 44.677  -3.6000   2.06   3.39   0.21   -0.99  
1 1 1 11 8  15 o 19.192  0.3317 13.067  -112.9000 -4.14  -2.73  -0.91  -1.61  
1 1 1 11 8  16 o 27.735  0.3465 25.271  19.400    -0.72  2.11   0.37   0.18   
1 1 1 11 8  17 o 23.211  0.3221 23.672  30.700    1.97   2.40   0.37   -0.78  
1 1 1 11 8  18 o 14.828  0.1554 8.5731  74.900    -0.09  -0.15  -0.02  -0.05  
1 1 1 11 8  19 o 11.963  0.3077 12.941  2.3000    -0.96  1.10   -0.02  0.21   
1 1 1 11 8  20 o 9.0787  0.2100 9.3696  72.000    0.26   0.23   0.42   0.21   
1 1 1 11 8  21 o 2.1468  0.6149 4.6662  -52.3000  0.04   -0.10  0.07   -0.07  
1 1 1 11 8  22 o 23.866  0.1762 22.984  -84.4000  -0.24  -0.37  -0.05  0.05   
1 1 1 11 8  23 o 11.264  0.4668 8.7357  -130.9000 1.12   -1.85  0.01   0.29   
1 1 1 11 8  24 o 5.0834  0.3851 6.5212  -102.9000 -0.04  0.04   -0.00  0.00   
1 1 1 11 8  25 o 8.0226  0.7629 7.7759  60.300    -0.10  0.52   0.01   -0.00  
1 1 1 11 8  26 o 12.917  0.3935 15.414  -97.8000  -0.44  -2.77  0.06   0.75   
1 1 1 11 9  0  o 87.336  0.5733 77.295  -180.0000 -0.63  0.00   0.00   0.00   
1 1 1 11 9  1  o 60.900  0.2860 45.695  -172.0000 -0.46  0.03   0.26   -0.15  
1 1 1 11 9  2  o 26.959  0.6662 29.658  -0.3000   0.19   1.45   0.14   -0.01  
1 1 1 11 9  3  o 34.312  0.9115 30.264  -48.3000  -2.33  -8.73  2.72   -1.04  
1 1 1 11 9  4  o 42.284  1.0438 47.689  -64.5000  8.85   -5.19  -1.26  1.89   
1 1 1 11 9  5  o 59.587  0.9537 66.688  -81.1000  3.97   -8.62  1.44   2.24   
1 1 1 11 9  6  o 31.340  0.2304 61.197  95.300    0.03   -0.70  0.17   0.04   
1 1 1 11 9  7  o 28.669  0.2950 17.824  -151.6000 -1.07  -2.02  0.38   -0.67  
1 1 1 11 9  8  o 81.769  0.9081 62.263  49.900    -7.33  10.74  1.20   5.16   
1 1 1 11 9  9  o 34.358  0.2884 43.539  65.900    -4.73  3.89   -1.78  5.56   
1 1 1 11 9  10 o 38.949  0.2016 38.464  79.300    0.38   0.19   -0.18  -0.09  
1 1 1 11 9  11 o 11.232  0.1272 10.729  -96.5000  0.82   -0.78  -0.14  0.75   
1 1 1 11 9  12 o 14.070  0.4663 14.018  -21.5000  3.73   -5.53  0.57   1.63   
1 1 1 11 9  13 o 29.193  0.4952 41.515  -75.8000  3.08   0.12   -0.47  -0.11  
1 1 1 11 9  14 f 7.4520  0.1922 7.7383  133.000   -0.42  0.64   0.11   0.19   
1 1 1 11 9  15 o 18.704  0.2074 22.206  -38.7000  1.00   -0.23  -0.16  0.12   
1 1 1 11 9  16 o 35.149  0.5777 32.797  -44.5000  6.73   4.40   -0.48  -2.00  
1 1 1 11 9  17 o 8.8057  0.2011 3.2581  6.5000    0.45   0.25   0.02   -0.68  
1 1 1 11 9  18 o 9.4867  0.4076 8.1006  40.400    0.91   0.74   -0.01  -0.10  
1 1 1 11 9  19 o 32.794  0.2143 37.133  6.4000    1.86   -1.37  0.48   0.77   
1 1 1 11 9  20 o 27.609  0.1766 29.104  -131.4000 -0.24  -1.52  0.20   0.71   
1 1 1 11 9  21 o 11.139  0.2048 12.132  97.900    0.29   0.28   0.28   0.36   
1 1 1 11 9  22 o 16.693  0.2605 17.719  66.900    0.79   0.84   0.20   -0.12  
1 1 1 11 9  23 o 17.055  0.3927 15.210  -81.5000  2.17   -2.42  -0.44  0.64   
1 1 1 11 9  24 o 15.983  0.1910 16.357  152.500   -1.22  -0.11  0.10   -0.34  
1 1 1 11 9  25 o 10.275  0.3414 9.8284  -112.8000 -1.14  -1.18  0.36   -0.09  
1 1 1 11 9  26 o 5.9832  0.5374 5.7573  95.700    0.05   0.19   -0.00  -0.01  
1 1 1 11 10 0  o 51.002  0.3486 1.1649  178.200   0.15   0.00   0.00   0.00   
1 1 1 11 10 1  o 51.876  0.6702 47.156  -179.2000 -2.90  -1.54  -0.17  -0.79  
1 1 1 11 10 2  o 69.898  1.1412 55.482  -153.7000 -5.48  0.15   -0.78  0.30   
1 1 1 11 10 3  o 39.760  0.2925 35.912  114.800   -2.00  -0.50  -1.08  -0.27  
1 1 1 11 10 4  o 85.400  0.4155 89.103  1.4000    0.61   -1.32  0.05   0.40   
1 1 1 11 10 5  o 98.383  0.7631 116.859 -86.7000  2.66   -2.13  -0.43  0.61   
1 1 1 11 10 6  o 99.450  1.1519 76.721  106.700   -3.33  5.07   0.23   1.00   
1 1 1 11 10 7  o 47.189  0.2401 34.889  126.600   0.01   -0.11  -0.09  0.21   
1 1 1 11 10 8  o 24.450  0.2675 19.698  130.200   -6.71  -1.31  -5.56  -2.69  
1 1 1 11 10 9  o 16.471  0.2767 15.036  -157.3000 -1.08  0.46   -0.10  0.10   
1 1 1 11 10 10 o 37.273  0.1792 42.170  146.000   -0.33  0.66   2.28   -1.18  
1 1 1 11 10 11 o 30.614  0.2022 30.685  -42.3000  0.70   0.81   -1.89  -1.93  
1 1 1 11 10 12 o 38.407  0.4910 43.239  85.900    3.94   2.61   -0.24  -1.03  
1 1 1 11 10 13 o 27.330  0.5941 33.062  89.400    -0.85  5.77   1.07   0.47   
1 1 1 11 10 14 o 19.298  0.1389 19.188  -126.5000 -0.29  -0.89  0.37   -0.72  
1 1 1 11 10 15 o 18.397  0.1729 12.050  -142.4000 -0.31  0.12   0.40   0.52   
1 1 1 11 10 16 f 66.277  0.3050 64.286  -113.8000 0.64   -2.39  -0.50  1.54   
1 1 1 11 10 17 o 25.704  0.3064 23.675  -66.4000  0.56   -3.23  0.85   0.63   
1 1 1 11 10 18 o 19.306  0.2508 19.040  -32.9000  0.46   0.15   -0.02  -0.03  
1 1 1 11 10 19 o 16.249  0.1835 13.897  10.600    0.21   -0.54  0.43   -0.34  
1 1 1 11 10 20 o 18.189  0.2078 18.129  -10.6000  0.41   -0.67  0.14   0.04   
1 1 1 11 10 21 o 11.033  0.2154 11.119  -130.8000 0.32   -1.62  0.52   1.26   
1 1 1 11 10 22 o 6.6412  0.3504 7.4445  68.100    0.60   0.86   -0.02  -0.19  
1 1 1 11 10 23 o 21.649  0.3929 21.848  -14.5000  0.96   1.83   0.29   -0.02  
1 1 1 11 10 24 o 7.0152  0.3570 7.8199  -57.6000  -0.07  0.06   0.00   0.00   
1 1 1 11 10 25 f 12.633  0.2385 11.709  53.100    0.61   0.20   0.00   0.10   
1 1 1 11 10 26 o 10.543  0.3535 ?       ?         0.69   -0.22  0.05   0.03   
1 1 1 11 11 0  o 61.897  0.7549 1.6230  -179.8000 -0.33  0.00   0.00   0.00   
1 1 1 11 11 1  f 25.231  0.2044 10.074  90.400    0.00   0.11   0.00   0.00   
1 1 1 11 11 2  o 47.286  0.3193 32.725  180.000   -0.27  0.00   0.00   0.00   
1 1 1 11 11 3  o 48.404  0.2998 50.478  90.000    -0.00  -0.07  0.00   0.00   
1 1 1 11 11 4  o 23.221  0.2619 14.447  -179.9000 0.07   0.00   0.00   0.00   
1 1 1 11 11 5  o 84.920  0.5144 69.436  -90.1000  0.00   0.14   0.00   0.00   
1 1 1 11 11 6  o 7.8102  0.1875 41.455  0.0000    0.01   0.00   0.00   0.00   
1 1 1 11 11 7  o 57.141  0.3609 28.854  -90.1000  -0.00  -0.14  0.00   0.00   
1 1 1 11 11 8  o 64.885  0.4043 62.713  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 11 11 9  o 7.1414  0.1709 26.986  -90.1000  -0.00  -0.02  0.00   0.00   
1 1 1 11 11 10 o 39.872  0.2864 40.208  -0.0000   0.27   0.00   0.00   0.00   
1 1 1 11 11 11 o 12.566  0.1688 9.2216  -90.2000  0.00   0.02   0.00   0.00   
1 1 1 11 11 12 o 10.597  0.1763 4.9507  -0.6000   -0.04  0.00   0.00   0.00   
1 1 1 11 11 13 o 15.053  0.1967 21.963  90.100    -0.00  -0.04  0.00   0.00   
1 1 1 11 11 14 o 20.266  0.2052 17.820  -179.9000 -0.00  0.00   0.00   0.00   
1 1 1 11 11 15 o 32.247  0.2599 21.866  90.100    0.00   0.22   0.00   0.00   
1 1 1 11 11 16 f 55.457  0.3832 64.822  -0.0000   0.61   0.00   0.00   0.00   
1 1 1 11 11 17 o 4.3128  0.4868 6.5057  90.300    0.00   0.01   0.00   0.00   
1 1 1 11 11 18 o 34.957  0.2852 30.765  -180.0000 -0.41  0.00   0.00   0.00   
1 1 1 11 11 19 o 15.738  0.2440 18.353  90.000    -0.00  -0.05  0.00   0.00   
1 1 1 11 11 20 o 13.454  0.2624 11.697  0.0000    -0.25  0.00   0.00   0.00   
1 1 1 11 11 21 o 12.256  0.2908 13.607  -90.0000  -0.00  -0.24  0.00   0.00   
1 1 1 11 11 22 o 8.7920  0.3445 7.4785  -0.0000   -0.11  0.00   0.00   0.00   
1 1 1 11 11 23 o 10.169  0.3285 7.8656  90.000    -0.00  -0.10  0.00   0.00   
1 1 1 11 11 24 o 2.5884  0.8498 2.2076  -0.0000   -0.01  0.00   0.00   0.00   
1 1 1 11 11 25 o 4.0497  0.9796 3.1666  90.000    0.00   0.04   0.00   0.00   
1 1 1 11 11 26 o 0.0000  3.3912 ?       ?         -0.16  0.00   0.00   0.00   
1 1 1 12 0  0  o 73.288  0.6197 96.761  180.000   0.16   0.00   0.00   0.00   
1 1 1 12 0  1  o 40.747  0.2694 46.120  135.000   0.04   -0.04  0.00   0.00   
1 1 1 12 0  2  f 25.568  0.2095 32.933  -89.9000  0.00   0.20   0.00   0.00   
1 1 1 12 0  3  o 47.681  0.3022 69.975  45.000    0.31   0.31   0.00   0.00   
1 1 1 12 0  4  o 62.019  0.3846 50.338  180.000   -0.10  0.00   0.00   0.00   
1 1 1 12 0  5  o 46.466  0.2951 56.200  -45.0000  0.12   -0.12  0.00   0.00   
1 1 1 12 0  6  o 16.285  0.2121 5.3206  89.600    0.00   0.03   0.00   0.00   
1 1 1 12 0  7  o 112.358 0.6477 130.170 -135.0000 -0.07  -0.07  0.00   0.00   
1 1 1 12 0  8  o 76.518  0.4515 42.775  180.000   0.07   0.00   0.00   0.00   
1 1 1 12 0  9  o 62.889  0.4060 63.488  -45.0000  -0.01  0.01   0.00   0.00   
1 1 1 12 0  10 o 10.159  0.1884 6.7591  89.700    -0.00  -0.07  0.00   0.00   
1 1 1 12 0  11 o 80.662  0.5137 90.005  45.000    0.08   0.08   0.00   0.00   
1 1 1 12 0  12 o 2.3238  0.4142 7.4366  179.900   -0.01  0.00   0.00   0.00   
1 1 1 12 0  13 o 45.122  0.3114 29.817  -45.0000  -0.13  0.13   0.00   0.00   
1 1 1 12 0  14 o 57.911  0.3698 55.296  90.000    0.00   0.31   0.00   0.00   
1 1 1 12 0  15 o 14.608  0.1992 18.447  -135.2000 -0.05  -0.05  0.00   0.00   
1 1 1 12 0  16 f 22.088  0.2085 29.260  180.000   0.02   0.00   0.00   0.00   
1 1 1 12 0  17 o 10.649  0.2387 17.254  135.000   -0.01  0.01   0.00   0.00   
1 1 1 12 0  18 o 21.485  0.2553 28.715  -90.0000  -0.00  -0.03  0.00   0.00   
1 1 1 12 0  19 o 38.399  0.2882 29.635  -135.0000 -0.38  -0.38  0.00   0.00   
1 1 1 12 0  20 o 19.665  0.2262 21.659  180.000   -0.03  0.00   0.00   0.00   
1 1 1 12 0  21 o 5.6921  0.4391 2.8809  -45.0000  0.02   -0.02  0.00   0.00   
1 1 1 12 0  22 o 3.3615  0.6499 1.2971  -90.0000  -0.00  -0.08  0.00   0.00   
1 1 1 12 0  23 o 10.890  0.3253 9.5916  -135.0000 0.10   0.10   0.00   0.00   
1 1 1 12 0  24 o 17.726  0.2695 17.534  0.0000    0.42   0.00   0.00   0.00   
1 1 1 12 0  25 o 15.212  0.2934 15.820  -45.0000  0.48   -0.48  0.00   0.00   
1 1 1 12 0  26 o 0.0000  3.0496 0.4641  -90.0000  -0.00  -0.02  0.00   0.00   
1 1 1 12 1  0  o 54.786  0.3527 41.468  -0.0000   -0.41  0.00   0.00   0.00   
1 1 1 12 1  1  o 33.060  0.7834 34.717  -69.5000  -1.04  -1.57  0.18   -0.20  
1 1 1 12 1  2  f 30.685  0.1506 25.150  -6.7000   0.26   0.27   0.21   -0.01  
1 1 1 12 1  3  o 61.388  0.8771 39.736  -92.2000  -0.86  -4.47  0.95   -0.04  
1 1 1 12 1  4  o 20.141  0.7867 11.234  -123.9000 -5.24  2.27   -1.14  0.99   
1 1 1 12 1  5  o 33.103  0.8823 21.118  23.200    2.97   7.18   1.41   -1.22  
1 1 1 12 1  6  o 137.800 1.0075 140.655 -173.3000 -5.01  3.08   0.22   1.78   
1 1 1 12 1  7  o 21.382  0.2650 34.787  40.000    0.36   -0.51  0.04   0.10   
1 1 1 12 1  8  o 41.409  0.2092 30.635  -44.3000  0.02   -0.17  0.02   0.01   
1 1 1 12 1  9  o 71.416  0.3251 53.987  -149.0000 -0.97  -1.44  2.12   -1.16  
1 1 1 12 1  10 o 23.678  0.1533 31.837  -174.9000 -0.16  0.51   0.49   0.82   
1 1 1 12 1  11 f 78.303  0.3445 83.583  24.900    1.08   -0.77  1.11   0.45   
1 1 1 12 1  12 o 26.882  0.3374 23.145  -37.6000  3.41   0.03   -0.95  -0.14  
1 1 1 12 1  13 o 34.256  0.3189 34.247  86.500    -3.36  0.25   -1.40  0.71   
1 1 1 12 1  14 o 26.529  0.2020 19.183  78.000    -0.34  0.17   -0.57  -0.35  
1 1 1 12 1  15 o 19.597  0.4814 11.810  105.700   -5.52  7.37   1.09   2.90   
1 1 1 12 1  16 o 17.402  0.1488 24.112  30.900    0.25   0.49   0.04   -0.32  
1 1 1 12 1  17 f 21.356  0.2724 14.825  -131.2000 1.79   -1.18  -0.10  0.65   
1 1 1 12 1  18 o 21.438  0.7245 20.728  144.400   -11.61 -1.41  -1.96  -0.68  
1 1 1 12 1  19 o 20.921  0.1632 22.627  111.500   0.20   0.43   -0.08  -0.20  
1 1 1 12 1  20 o 17.576  0.1758 16.416  -26.4000  -0.01  -0.87  0.24   -0.41  
1 1 1 12 1  21 o 9.7211  0.2195 9.1581  -140.9000 -0.49  -0.02  -0.10  -0.13  
1 1 1 12 1  22 o 9.7225  0.2298 7.0356  118.300   0.39   0.40   0.30   -0.12  
1 1 1 12 1  23 o 13.139  0.2084 12.096  -39.3000  0.08   0.36   -0.05  -0.06  
1 1 1 12 1  24 o 12.245  0.6603 12.216  -10.0000  2.17   -3.10  -0.07  0.53   
1 1 1 12 1  25 o 4.6123  0.5056 2.6898  108.400   -0.00  -0.20  -0.03  -0.01  
1 1 1 12 1  26 o 4.1755  0.7613 4.6863  -27.7000  0.34   -0.18  -0.03  -0.00  
1 1 1 12 2  0  o 52.053  0.3227 48.728  180.000   -0.54  0.00   0.00   0.00   
1 1 1 12 2  1  o 68.293  0.3206 61.896  -63.4000  0.27   -0.95  0.14   -0.22  
1 1 1 12 2  2  o 35.349  1.5677 33.492  75.000    6.89   6.99   0.35   -1.78  
1 1 1 12 2  3  o 48.720  0.3731 40.116  -34.4000  -0.31  -2.53  0.97   -1.06  
1 1 1 12 2  4  o 29.237  0.8517 32.443  133.400   -0.72  4.02   0.60   0.32   
1 1 1 12 2  5  o 19.706  0.3084 22.122  46.300    2.05   -1.22  -0.47  1.14   
1 1 1 12 2  6  o 110.022 0.4502 108.233 -94.7000  0.06   -0.36  -0.03  0.08   
1 1 1 12 2  7  o 50.012  0.2257 37.313  135.700   0.03   0.11   0.09   0.13   
1 1 1 12 2  8  o 60.195  0.5506 59.134  5.5000    2.13   -4.15  0.63   1.15   
1 1 1 12 2  9  o 21.192  0.1210 17.269  -116.5000 -0.18  0.13   0.27   0.88   
1 1 1 12 2  10 o 32.373  0.7618 25.635  74.700    -1.19  13.90  3.29   0.42   
1 1 1 12 2  11 o 24.306  0.5450 33.856  -119.3000 -7.21  -4.87  -0.81  -2.48  
1 1 1 12 2  12 o 45.623  0.6832 48.904  -62.6000  3.63   -2.28  -0.16  0.51   
1 1 1 12 2  13 o 20.726  0.1539 29.300  -137.7000 -0.05  -0.22  0.04   -0.08  
1 1 1 12 2  14 o 7.5386  0.3123 4.8542  -34.8000  -1.44  -2.46  0.48   -0.76  
1 1 1 12 2  15 f 33.556  0.3697 30.674  59.100    0.46   3.00   0.69   -0.07  
1 1 1 12 2  16 o 50.427  0.2329 43.529  67.300    0.75   0.16   -0.16  0.10   
1 1 1 12 2  17 o 26.757  0.1796 28.899  177.600   -0.13  -0.14  -0.11  0.04   
1 1 1 12 2  18 o 10.100  0.6795 4.1655  61.100    1.23   6.11   0.83   -0.29  
1 1 1 12 2  19 o 13.615  0.1676 10.691  -149.3000 -0.12  -0.10  0.11   -0.01  
1 1 1 12 2  20 o 8.4737  0.2293 7.1373  -114.6000 -0.83  0.59   0.13   0.62   
1 1 1 12 2  21 o 10.592  0.2055 10.901  -93.3000  0.05   0.40   0.03   -0.04  
1 1 1 12 2  22 o 19.858  0.3375 19.512  0.3000    0.09   1.74   0.23   0.12   
1 1 1 12 2  23 o 11.684  0.2939 11.545  -105.7000 -0.48  0.54   -0.05  0.06   
1 1 1 12 2  24 o 6.1554  0.3371 5.8314  -161.4000 -0.76  -0.22  -0.03  -0.16  
1 1 1 12 2  25 o 6.8419  0.5922 8.0002  20.800    1.17   -0.10  -0.10  -0.05  
1 1 1 12 2  26 o 10.754  0.3411 11.026  -179.7000 -0.26  -0.68  -0.00  0.12   
1 1 1 12 3  0  o 36.614  0.2563 37.594  180.000   0.19   0.00   0.00   0.00   
1 1 1 12 3  1  o 7.7403  0.3441 9.0048  -25.3000  -0.34  0.80   0.22   0.17   
1 1 1 12 3  2  o 43.179  0.8837 48.999  -159.3000 -1.62  -3.84  0.96   -0.41  
1 1 1 12 3  3  o 60.821  1.0427 65.820  101.900   -1.93  8.50   1.82   1.63   
1 1 1 12 3  4  o 12.605  0.1734 17.712  -108.5000 0.86   0.10   -0.61  -0.35  
1 1 1 12 3  5  o 49.605  0.9245 54.686  -171.9000 -7.28  -6.40  -0.66  -2.73  
1 1 1 12 3  6  o 38.200  0.7554 19.806  -0.2000   8.00   4.98   -1.39  -3.77  
1 1 1 12 3  7  o 62.582  0.8551 48.042  -96.6000  -0.32  -8.38  2.56   0.08   
1 1 1 12 3  8  o 43.454  0.5508 37.837  67.900    5.79   5.75   -0.24  -3.13  
1 1 1 12 3  9  o 90.472  0.6909 79.643  73.200    6.52   2.06   -2.26  -0.88  
1 1 1 12 3  10 o 36.896  0.3983 35.525  27.300    0.94   -2.72  0.39   0.37   
1 1 1 12 3  11 o 50.745  0.2280 52.340  -179.3000 0.39   -0.07  -0.07  -0.51  
1 1 1 12 3  12 o 41.100  0.2044 48.523  18.500    0.25   -0.12  0.29   -0.44  
1 1 1 12 3  13 o 11.164  0.1465 13.342  7.9000    0.19   -0.10  -0.04  0.03   
1 1 1 12 3  14 o 33.029  0.3770 10.351  67.900    -5.53  1.72   -3.12  1.11   
1 1 1 12 3  15 o 39.919  0.2161 42.162  86.000    2.31   -0.37  -0.89  0.85   
1 1 1 12 3  16 o 35.302  0.5742 34.453  130.100   -2.36  1.28   -0.10  0.26   
1 1 1 12 3  17 o 44.174  0.2069 42.076  13.900    0.73   0.26   0.85   -0.04  
1 1 1 12 3  18 o 29.859  0.1928 27.505  118.800   -1.18  0.72   -0.37  0.22   
1 1 1 12 3  19 o 17.201  0.2527 15.845  -135.3000 -1.58  -0.17  -0.39  0.05   
1 1 1 12 3  20 o 5.8640  0.2896 2.1520  -29.0000  0.09   0.15   0.17   0.06   
1 1 1 12 3  21 o 3.0119  0.5046 2.8593  -154.1000 -0.07  -0.03  0.05   0.03   
1 1 1 12 3  22 o 15.124  0.3631 14.475  -102.6000 1.74   -3.41  0.24   1.14   
1 1 1 12 3  23 o 6.7290  0.3492 6.6171  -62.4000  0.01   -0.53  0.04   -0.03  
1 1 1 12 3  24 o 10.743  0.2562 8.0571  -112.8000 -0.15  0.16   -0.02  -0.00  
1 1 1 12 3  25 o 12.448  0.2462 10.467  102.600   0.91   0.42   -0.15  0.15   
1 1 1 12 3  26 o 7.3124  0.4881 7.4591  -113.1000 -1.21  -0.74  -0.29  0.13   
1 1 1 12 4  0  o 9.7211  0.1068 11.407  -180.0000 -0.21  0.00   0.00   0.00   
1 1 1 12 4  1  o 47.773  0.2127 42.456  71.700    0.03   0.74   -0.53  0.34   
1 1 1 12 4  2  o 58.414  0.2553 42.863  68.600    0.86   0.89   -0.78  2.49   
1 1 1 12 4  3  o 13.417  0.4722 25.623  -178.4000 -2.71  -0.12  -0.91  0.02   
1 1 1 12 4  4  o 69.418  0.2944 70.601  7.9000    1.14   -0.57  0.99   0.51   
1 1 1 12 4  5  o 31.575  0.6117 18.351  -69.7000  -3.09  -0.91  -0.48  -0.37  
1 1 1 12 4  6  o 83.726  0.4238 103.358 72.100    -0.52  0.82   0.14   0.10   
1 1 1 12 4  7  o 32.202  1.0836 35.907  99.400    -3.15  10.53  1.79   1.09   
1 1 1 12 4  8  o 47.135  0.7334 51.162  -115.3000 -5.21  -7.27  0.58   -2.10  
1 1 1 12 4  9  o 55.830  0.9777 43.474  -80.7000  7.44   -10.66 0.76   2.56   
1 1 1 12 4  10 o 69.939  0.5384 61.917  -138.3000 3.46   -2.92  -0.51  1.17   
1 1 1 12 4  11 o 45.881  0.2306 44.602  -16.6000  -0.44  -0.78  0.03   -0.22  
1 1 1 12 4  12 o 8.9958  0.1387 8.4046  160.800   -0.14  0.66   1.03   0.20   
1 1 1 12 4  13 o 50.070  0.2327 53.427  46.400    0.30   1.20   0.66   0.36   
1 1 1 12 4  14 o 36.832  0.1884 26.272  170.500   -1.22  -0.01  -0.57  -0.40  
1 1 1 12 4  15 o 21.832  0.5994 18.506  -115.3000 7.25   -7.19  0.16   2.56   
1 1 1 12 4  16 o 17.867  0.2350 20.257  -49.2000  -0.04  -2.25  0.87   0.14   
1 1 1 12 4  17 o 51.166  0.5891 51.463  -65.1000  -2.80  -4.85  0.18   -1.24  
1 1 1 12 4  18 o 7.9390  0.2175 9.0363  -78.6000  -1.54  -1.02  -0.58  -0.87  
1 1 1 12 4  19 o 15.455  0.1525 12.099  153.400   -0.02  -0.10  -0.01  0.05   
1 1 1 12 4  20 o 19.957  0.3193 21.557  -66.1000  -1.07  -2.89  0.26   -1.05  
1 1 1 12 4  21 o 20.815  0.3468 21.776  100.500   0.89   2.05   0.08   -0.42  
1 1 1 12 4  22 o 15.797  0.1875 16.402  -175.7000 0.37   -1.23  0.69   -0.53  
1 1 1 12 4  23 o 11.659  0.2122 10.612  155.800   -0.54  -0.51  0.18   -0.08  
1 1 1 12 4  24 o 14.167  0.2557 10.187  153.100   -0.92  1.16   0.37   0.03   
1 1 1 12 4  25 o 7.6037  0.3870 7.1802  47.700    1.26   0.36   -0.22  0.07   
1 1 1 12 4  26 o 8.6157  0.4706 8.9566  -156.3000 -0.62  -0.48  0.05   -0.04  
1 1 1 12 5  0  o 14.346  0.1552 1.9388  -1.4000   -0.03  0.00   0.00   0.00   
1 1 1 12 5  1  o 17.051  0.3465 20.899  106.100   -2.98  2.24   -0.28  3.25   
1 1 1 12 5  2  o 34.441  0.1800 40.479  -59.8000  -0.16  0.16   -0.18  -0.05  
1 1 1 12 5  3  o 46.747  0.7765 31.314  -81.9000  1.60   -3.12  0.23   0.61   
1 1 1 12 5  4  o 45.985  0.3402 55.054  39.300    -0.19  0.82   0.18   -0.03  
1 1 1 12 5  5  o 21.268  0.1655 23.283  135.900   -0.57  -0.27  -0.14  -2.29  
1 1 1 12 5  6  o 42.970  0.2136 47.427  149.300   -0.34  0.95   0.49   0.16   
1 1 1 12 5  7  o 70.041  0.3043 60.335  -57.5000  -0.25  0.62   0.08   0.32   
1 1 1 12 5  8  o 26.051  0.1541 22.239  -149.9000 -1.23  0.23   -0.73  0.18   
1 1 1 12 5  9  o 41.434  0.4464 37.498  7.3000    -0.97  8.50   4.10   1.31   
1 1 1 12 5  10 o 45.735  0.2670 25.559  -34.4000  -2.27  -4.06  1.17   -3.14  
1 1 1 12 5  11 o 48.848  0.6579 55.200  -161.2000 -3.60  -4.15  0.27   -0.93  
1 1 1 12 5  12 o 16.224  0.3311 14.648  140.600   0.17   -0.49  0.02   0.01   
1 1 1 12 5  13 o 20.636  0.1893 15.214  -14.5000  0.40   -0.47  0.06   0.12   
1 1 1 12 5  14 o 40.401  0.4754 28.754  77.100    3.34   1.29   -0.64  -0.35  
1 1 1 12 5  15 o 10.203  0.3165 6.7219  -85.2000  2.07   0.88   -0.32  -0.29  
1 1 1 12 5  16 o 40.004  0.2237 32.845  -107.8000 -2.40  -0.94  -1.69  -0.19  
1 1 1 12 5  17 o 20.629  0.4222 12.378  -79.9000  0.80   -4.96  1.22   0.66   
1 1 1 12 5  18 o 3.7095  0.3765 2.6016  -161.1000 0.02   0.50   0.09   -0.02  
1 1 1 12 5  19 o 15.133  0.2052 14.728  -2.6000   2.61   0.39   -1.10  -0.97  
1 1 1 12 5  20 o 23.622  0.2422 24.962  -102.5000 -1.67  -0.87  -0.62  -0.02  
1 1 1 12 5  21 o 5.7635  0.3012 2.5672  -91.6000  -1.11  -0.04  -0.30  0.09   
1 1 1 12 5  22 o 14.401  0.3162 13.382  41.400    0.44   0.98   0.12   -0.04  
1 1 1 12 5  23 o 7.3716  0.2795 5.4173  140.300   0.17   0.50   0.16   0.09   
1 1 1 12 5  24 o 11.113  0.2385 10.460  11.900    0.02   0.92   0.05   0.26   
1 1 1 12 5  25 o 3.7006  0.6376 3.6411  -90.0000  -0.12  0.12   0.02   0.00   
1 1 1 12 5  26 o 6.0178  0.5244 5.9318  128.800   -0.49  0.13   0.10   -0.01  
1 1 1 12 6  0  f 21.520  0.1889 50.527  -180.0000 0.21   0.00   0.00   0.00   
1 1 1 12 6  1  o 24.461  0.5109 37.279  18.800    0.14   2.09   0.45   -0.15  
1 1 1 12 6  2  f 40.147  0.2285 56.054  169.200   -1.32  -0.75  0.23   -1.18  
1 1 1 12 6  3  o 29.941  1.0935 32.034  -96.6000  -4.91  -9.38  1.81   -2.07  
1 1 1 12 6  4  o 93.774  0.9255 107.503 87.800    -0.50  3.74   0.65   -0.23  
1 1 1 12 6  5  o 47.491  0.3524 22.986  -112.0000 1.37   -1.68  -0.06  0.93   
1 1 1 12 6  6  o 69.127  0.4861 66.392  -7.2000   1.01   0.46   -0.07  -0.12  
1 1 1 12 6  7  o 92.863  0.3847 96.524  -120.5000 0.09   -0.52  -1.18  -0.17  
1 1 1 12 6  8  o 48.053  0.3623 66.164  146.400   -0.70  1.36   0.18   0.20   
1 1 1 12 6  9  o 31.725  0.1958 7.4061  74.900    -1.02  -0.06  -2.62  -1.65  
1 1 1 12 6  10 o 39.762  0.1940 55.135  -134.2000 -0.43  1.35   0.53   0.66   
1 1 1 12 6  11 o 11.192  0.3722 17.296  -158.9000 0.46   -3.78  0.96   0.20   
1 1 1 12 6  12 o 18.486  0.1270 19.506  -103.0000 -0.04  -0.12  -0.12  -0.25  
1 1 1 12 6  13 o 20.718  0.1994 19.941  124.800   1.22   1.30   0.31   -0.91  
1 1 1 12 6  14 o 28.508  0.1644 34.112  57.300    0.00   0.04   0.00   0.01   
1 1 1 12 6  15 o 30.121  0.1586 24.664  151.800   0.42   0.95   -0.03  -1.45  
1 1 1 12 6  16 o 22.065  0.4318 27.476  59.200    0.51   -2.15  0.23   0.08   
1 1 1 12 6  17 o 15.738  0.1575 9.1851  30.300    -0.06  -0.23  -0.53  0.46   
1 1 1 12 6  18 o 16.451  0.1488 15.432  -122.3000 0.82   -0.69  -1.55  0.64   
1 1 1 12 6  19 o 55.559  0.2594 ?       ?         -0.07  -0.13  -0.00  0.00   
1 1 1 12 6  20 o 7.0024  0.2510 7.5961  13.500    0.13   0.73   0.21   -0.29  
1 1 1 12 6  21 o 23.638  0.1858 21.008  49.600    -0.47  0.93   0.32   -0.36  
1 1 1 12 6  22 o 8.3869  0.4833 7.1339  116.500   0.92   2.30   0.21   -0.33  
1 1 1 12 6  23 o 3.6176  0.4804 3.7451  -173.4000 -0.06  0.25   0.02   -0.00  
1 1 1 12 6  24 o 24.194  0.1925 23.330  -94.8000  0.49   -0.37  -0.04  -0.03  
1 1 1 12 6  25 o 6.4497  0.5283 5.7999  -140.4000 -0.88  0.03   -0.06  -0.06  
1 1 1 12 6  26 o 6.0610  0.5296 6.0553  43.600    -0.08  0.18   -0.01  -0.01  
1 1 1 12 7  0  o 22.102  0.1929 22.349  0.2000    -0.05  0.00   0.00   0.00   
1 1 1 12 7  1  o 35.356  0.8765 17.161  -63.5000  -1.71  -5.22  1.05   -0.52  
1 1 1 12 7  2  o 48.852  0.6087 54.223  147.500   1.24   -1.75  0.25   0.30   
1 1 1 12 7  3  o 41.389  0.8626 38.633  -59.4000  -1.46  -5.08  1.07   -0.40  
1 1 1 12 7  4  o 58.008  0.8869 43.737  -138.3000 -2.69  -3.64  0.11   -0.71  
1 1 1 12 7  5  o 57.497  0.8089 69.231  38.400    1.89   7.00   1.99   -0.78  
1 1 1 12 7  6  o 88.557  0.6015 108.899 107.200   1.99   5.88   2.10   -2.79  
1 1 1 12 7  7  o 51.495  0.2512 31.505  82.900    0.22   0.55   0.20   -0.09  
1 1 1 12 7  8  o 33.797  0.2173 30.667  96.400    2.65   2.02   -1.39  -3.19  
1 1 1 12 7  9  f 19.979  0.1334 11.441  95.400    0.02   0.14   0.06   -0.03  
1 1 1 12 7  10 o 64.301  0.3915 52.329  11.100    5.13   -2.49  -1.29  3.10   
1 1 1 12 7  11 o 32.822  0.1838 44.711  38.400    -0.83  -0.07  -0.20  -0.10  
1 1 1 12 7  12 o 22.880  0.1410 34.198  64.800    1.72   1.03   -0.39  -1.83  
1 1 1 12 7  13 o 39.686  0.2556 40.418  154.300   -2.64  -1.30  -0.32  -1.89  
1 1 1 12 7  14 o 17.517  0.5399 13.918  -108.1000 -8.00  -3.63  -2.71  -2.51  
1 1 1 12 7  15 o 41.490  0.2541 40.465  10.0000   1.11   -0.94  0.09   0.35   
1 1 1 12 7  16 o 25.372  0.1983 17.185  -151.1000 -1.17  1.44   0.46   0.74   
1 1 1 12 7  17 o 21.871  0.1731 17.793  -35.0000  0.19   -0.29  -0.00  0.03   
1 1 1 12 7  18 o 16.797  0.7578 8.9378  111.400   -1.07  7.04   0.92   0.18   
1 1 1 12 7  19 o 28.579  0.3088 28.746  166.600   -3.17  0.84   -0.48  0.92   
1 1 1 12 7  20 o 3.1091  0.8153 2.0325  4.3000    0.07   0.17   0.00   -0.00  
1 1 1 12 7  21 o 18.612  0.1994 17.604  5.8000    0.80   -0.13  0.51   -0.49  
1 1 1 12 7  22 o 12.796  0.2031 11.145  -24.5000  0.27   0.27   -0.06  -0.02  
1 1 1 12 7  23 o 9.4136  0.2652 8.7125  93.700    -0.22  -0.03  -0.01  0.01   
1 1 1 12 7  24 o 6.9391  0.3274 6.7588  79.600    -0.01  -0.15  -0.00  -0.01  
1 1 1 12 7  25 o 15.455  0.2605 15.694  -53.9000  -0.75  -0.61  0.15   0.02   
1 1 1 12 7  26 o 2.5972  0.8285 4.0053  142.700   -0.30  0.28   -0.05  -0.16  
1 1 1 12 8  0  o 31.326  0.2784 13.304  180.000   0.13   0.00   0.00   0.00   
1 1 1 12 8  1  o 66.380  0.8222 53.520  153.200   -0.11  2.75   0.38   -0.13  
1 1 1 12 8  2  o 23.391  0.1417 9.8359  -148.9000 -0.03  -0.50  0.28   0.16   
1 1 1 12 8  3  o 20.268  0.7660 40.254  -6.3000   5.65   0.18   -1.50  0.06   
1 1 1 12 8  4  o 32.457  0.6017 21.989  -142.5000 -1.70  -3.69  0.72   -0.70  
1 1 1 12 8  5  o 101.975 1.0659 98.907  69.000    4.80   4.34   0.30   -1.42  
1 1 1 12 8  6  o 82.717  0.4043 89.343  136.700   -1.33  0.54   -0.35  0.15   
1 1 1 12 8  7  o 51.488  0.2274 71.476  84.900    -0.16  -0.01  -0.10  0.12   
1 1 1 12 8  8  o 35.525  0.2818 33.379  -158.4000 -0.55  0.41   -0.01  0.08   
1 1 1 12 8  9  o 50.173  0.3015 55.592  51.500    1.21   0.56   -0.22  -0.18  
1 1 1 12 8  10 o 15.102  0.4195 9.1925  -144.4000 -5.73  -8.74  1.87   -4.70  
1 1 1 12 8  11 o 24.197  0.2374 32.204  -158.1000 -1.27  0.72   -0.13  0.32   
1 1 1 12 8  12 o 33.286  0.4370 25.418  -112.2000 0.87   -1.79  0.15   0.15   
1 1 1 12 8  13 o 42.552  0.3987 43.330  -124.0000 -0.88  -0.75  0.02   -0.12  
1 1 1 12 8  14 o 17.028  0.5925 18.765  122.300   -0.97  2.31   0.14   0.16   
1 1 1 12 8  15 o 22.706  0.2583 24.878  -131.7000 -0.77  0.64   0.00   0.14   
1 1 1 12 8  16 o 42.128  0.2275 37.168  8.0000    -0.32  -0.23  0.02   -0.05  
1 1 1 12 8  17 o 33.224  0.2571 27.607  -144.2000 -0.13  0.30   0.00   0.02   
1 1 1 12 8  18 o 14.494  0.2395 12.888  149.700   -1.33  -1.11  0.08   -0.58  
1 1 1 12 8  19 o 17.239  0.1672 15.350  -77.5000  -0.23  0.07   0.01   0.06   
1 1 1 12 8  20 f 18.332  0.1734 22.526  164.500   -0.04  -0.05  -0.00  0.01   
1 1 1 12 8  21 o 2.6208  0.5437 1.6236  96.900    -0.16  -0.03  -0.02  -0.05  
1 1 1 12 8  22 o 18.063  0.1837 17.934  -130.2000 -1.17  0.25   0.66   0.37   
1 1 1 12 8  23 o 7.8815  0.2875 4.9287  -78.9000  0.14   0.47   -0.15  0.35   
1 1 1 12 8  24 f 5.5807  0.4197 4.2547  -13.6000  -0.31  0.05   0.04   0.06   
1 1 1 12 8  25 f 10.898  0.4089 12.764  -84.1000  0.63   -0.45  -0.06  0.01   
1 1 1 12 8  26 o 8.0146  0.7156 ?       ?         -0.72  -1.45  -0.02  -0.14  
1 1 1 12 9  0  o 58.267  0.3963 41.836  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 12 9  1  o 24.175  0.5792 19.032  43.100    0.41   5.90   2.94   0.08   
1 1 1 12 9  2  o 56.529  0.5960 40.615  175.200   -0.10  0.82   0.05   0.04   
1 1 1 12 9  3  o 35.630  0.2280 27.105  0.9000    0.76   0.73   -0.15  -0.44  
1 1 1 12 9  4  o 39.246  0.2267 6.9486  43.500    -0.11  0.96   0.35   0.21   
1 1 1 12 9  5  o 72.983  0.5528 51.863  -116.9000 -1.69  -2.22  0.33   -0.62  
1 1 1 12 9  6  o 43.004  0.1950 52.518  119.700   0.33   0.71   0.22   -0.63  
1 1 1 12 9  7  o 78.742  0.3292 70.449  -3.2000   -0.43  -1.49  0.63   -1.57  
1 1 1 12 9  8  f 21.849  0.1365 11.805  -30.9000  -0.05  0.15   0.02   0.01   
1 1 1 12 9  9  o 41.825  0.8260 35.018  -147.2000 -5.56  -13.43 2.52   -2.24  
1 1 1 12 9  10 o 57.023  0.3610 50.514  -124.4000 0.17   -0.77  0.07   0.00   
1 1 1 12 9  11 o 33.927  0.5424 33.632  53.500    2.24   6.95   1.60   -0.90  
1 1 1 12 9  12 o 44.321  0.5277 45.978  124.200   2.14   2.43   0.15   -0.44  
1 1 1 12 9  13 o 31.524  0.1725 36.453  -92.7000  0.31   -0.37  -1.29  -0.63  
1 1 1 12 9  14 o 45.804  0.3914 53.560  -45.4000  1.71   0.58   -0.15  -0.28  
1 1 1 12 9  15 o 38.347  0.5199 41.545  -85.9000  0.55   -4.29  0.78   0.45   
1 1 1 12 9  16 o 63.150  0.2831 60.635  158.100   -0.71  -0.51  0.24   -0.12  
1 1 1 12 9  17 o 33.293  0.3912 36.452  116.200   -0.64  2.00   0.17   0.24   
1 1 1 12 9  18 o 9.9300  0.2586 14.810  -106.2000 0.71   -1.17  0.09   0.32   
1 1 1 12 9  19 f 13.451  0.4322 16.251  38.900    4.68   -2.20  -0.65  1.18   
1 1 1 12 9  20 o 6.9784  0.7012 8.2449  -151.6000 -1.90  -2.18  -0.00  -0.29  
1 1 1 12 9  21 o 11.475  0.3016 10.814  11.000    1.75   0.82   -0.40  -0.21  
1 1 1 12 9  22 o 18.448  0.1780 17.981  -118.7000 0.37   0.35   0.08   0.13   
1 1 1 12 9  23 o 11.988  0.2206 13.277  -104.7000 -0.33  -0.13  0.12   0.03   
1 1 1 12 9  24 o 13.523  0.1962 14.819  162.000   -0.40  -0.36  -0.07  0.12   
1 1 1 12 9  25 o 7.2809  0.3580 5.1325  -10.0000  0.08   -0.64  0.05   -0.06  
1 1 1 12 9  26 o 5.4613  0.5639 ?       ?         -0.45  0.32   0.03   -0.07  
1 1 1 12 10 0  o 93.969  0.6085 94.382  0.0000    0.28   0.00   0.00   0.00   
1 1 1 12 10 1  o 72.540  0.4393 62.874  -65.0000  0.51   0.50   0.07   -0.06  
1 1 1 12 10 2  o 40.191  0.1798 35.315  -68.4000  0.54   -0.07  -0.24  -0.05  
1 1 1 12 10 3  o 20.300  0.2714 8.4039  127.000   -0.95  1.21   0.08   0.63   
1 1 1 12 10 4  o 30.241  0.1648 34.744  -79.2000  -0.13  -0.05  -0.13  0.05   
1 1 1 12 10 5  o 53.069  0.2458 73.223  -30.8000  1.77   0.73   -1.00  -2.55  
1 1 1 12 10 6  f 57.654  0.4900 62.529  -11.3000  3.30   -0.06  -1.11  -0.15  
1 1 1 12 10 7  o 118.440 0.5445 118.765 134.000   -0.74  0.21   -0.07  0.00   
1 1 1 12 10 8  o 90.068  0.6796 64.566  156.500   0.60   3.03   0.40   -0.30  
1 1 1 12 10 9  o 76.190  0.5167 67.058  134.700   0.55   4.45   1.37   0.06   
1 1 1 12 10 10 f 48.052  0.9649 32.763  -165.6000 -7.95  -5.04  -0.47  -1.38  
1 1 1 12 10 11 o 51.119  0.4857 40.998  14.800    3.81   -0.51  -0.73  0.42   
1 1 1 12 10 12 o 29.825  0.1941 25.649  122.300   -0.63  0.51   -0.17  0.24   
1 1 1 12 10 13 o 31.641  0.3573 30.309  139.900   0.79   4.86   1.99   -1.26  
1 1 1 12 10 14 o 43.798  0.2127 41.702  -107.5000 -0.25  0.23   -0.08  0.03   
1 1 1 12 10 15 o 29.214  0.1939 28.473  -90.2000  -1.84  -0.38  -2.46  1.15   
1 1 1 12 10 16 f 46.110  0.2356 52.381  -63.6000  0.22   -0.03  0.03   -0.04  
1 1 1 12 10 17 o 12.975  0.1838 8.9981  147.300   -1.07  -0.90  0.04   -0.53  
1 1 1 12 10 18 o 27.454  0.1622 29.718  -70.0000  -1.16  -0.62  -0.85  0.02   
1 1 1 12 10 19 o 10.394  0.5231 10.676  61.300    -0.76  2.11   0.14   0.09   
1 1 1 12 10 20 o 28.472  0.1823 32.044  -112.8000 -0.33  -0.13  0.03   -0.03  
1 1 1 12 10 21 o 19.335  0.2774 15.779  126.300   -1.58  1.96   -0.30  0.70   
1 1 1 12 10 22 o 14.455  0.1926 12.886  -84.2000  0.63   -0.39  0.13   0.13   
1 1 1 12 10 23 o 14.839  0.2278 12.793  77.400    0.37   1.15   -0.73  -0.23  
1 1 1 12 10 24 o 9.6444  0.2481 9.9807  -19.6000  0.15   0.20   0.00   0.06   
1 1 1 12 10 25 o 15.453  0.4729 15.756  -59.3000  2.81   -3.61  -1.07  0.72   
1 1 1 12 10 26 o 4.8591  0.7753 ?       ?         0.01   -0.23  -0.01  0.01   
1 1 1 12 11 0  o 38.872  0.3050 26.883  -179.9000 0.07   0.00   0.00   0.00   
1 1 1 12 11 1  o 27.301  0.4334 34.667  98.200    -0.07  2.08   0.49   -0.03  
1 1 1 12 11 2  o 46.006  0.4644 49.326  -53.6000  2.43   -0.92  -0.62  0.36   
1 1 1 12 11 3  f 41.052  0.1912 32.939  102.800   0.08   0.61   0.10   -2.03  
1 1 1 12 11 4  o 47.267  0.6932 51.803  -169.3000 -3.53  1.69   -0.39  0.59   
1 1 1 12 11 5  o 65.746  0.7572 62.587  149.700   0.62   4.89   1.11   -0.13  
1 1 1 12 11 6  o 13.567  0.3419 16.041  5.2000    7.08   1.24   -4.49  -1.76  
1 1 1 12 11 7  o 10.560  0.7110 12.973  -117.2000 12.03  1.73   -2.61  -0.79  
1 1 1 12 11 8  o 25.305  0.1594 40.695  -174.8000 -0.05  0.05   -0.36  -0.08  
1 1 1 12 11 9  o 43.542  0.4631 45.625  -72.0000  0.84   -4.11  0.80   0.46   
1 1 1 12 11 10 o 32.097  0.1840 39.510  26.300    0.13   1.21   0.42   -0.23  
1 1 1 12 11 11 o 45.495  0.2186 54.073  -147.9000 0.24   1.27   0.85   0.27   
1 1 1 12 11 12 o 19.950  0.7038 26.837  -95.0000  -2.08  -3.56  0.22   -0.33  
1 1 1 12 11 13 o 36.232  0.2079 37.861  152.200   -0.19  1.34   1.72   -2.15  
1 1 1 12 11 14 o 4.4405  0.2494 5.2381  -39.2000  0.51   0.11   -0.27  -0.08  
1 1 1 12 11 15 o 31.333  0.5463 31.722  -106.8000 1.73   -2.27  0.02   0.34   
1 1 1 12 11 16 o 47.879  0.3195 51.605  -27.2000  1.80   1.21   0.16   -0.55  
1 1 1 12 11 17 o 18.653  0.2716 16.378  97.100    2.67   4.20   1.78   -2.18  
1 1 1 12 11 18 o 15.276  0.1622 12.753  -107.8000 -0.34  0.23   -0.28  0.02   
1 1 1 12 11 19 f 4.1392  0.3499 2.7989  28.800    -0.10  0.16   -0.01  0.06   
1 1 1 12 11 20 o 6.9149  0.2707 5.1697  -87.0000  -0.26  0.13   0.28   0.15   
1 1 1 12 11 21 o 17.722  0.1813 17.659  89.000    1.08   1.15   -1.85  -0.14  
1 1 1 12 11 22 o 11.356  0.2323 11.038  104.800   0.40   -0.19  -0.07  -0.17  
1 1 1 12 11 23 o 6.7789  0.2947 6.7338  -178.8000 -0.75  0.49   0.17   0.30   
1 1 1 12 11 24 o 4.4282  0.5721 3.9148  -38.2000  0.41   0.10   -0.02  0.00   
1 1 1 12 11 25 o 4.9287  0.5187 4.2990  119.900   -0.01  0.27   0.01   -0.01  
1 1 1 12 11 26 o 4.0873  0.8791 ?       ?         -0.13  -0.43  -0.04  -0.01  
1 1 1 12 12 0  o 93.610  1.1017 95.106  -180.0000 -0.69  0.00   0.00   0.00   
1 1 1 12 12 1  o 50.036  0.3729 56.787  90.000    0.00   0.08   0.00   0.00   
1 1 1 12 12 2  o 70.970  0.4995 86.982  180.000   0.23   0.00   0.00   0.00   
1 1 1 12 12 3  o 22.412  0.1771 65.713  89.900    0.00   0.07   0.00   0.00   
1 1 1 12 12 4  o 54.380  0.3590 48.872  -0.0000   0.28   0.00   0.00   0.00   
1 1 1 12 12 5  o 72.990  0.4487 50.654  -90.0000  -0.00  -0.03  0.00   0.00   
1 1 1 12 12 6  o 100.552 0.6128 100.737 180.000   -0.10  0.00   0.00   0.00   
1 1 1 12 12 7  o 11.546  0.1623 23.587  89.900    -0.00  -0.04  0.00   0.00   
1 1 1 12 12 8  o 33.450  0.2522 54.115  -180.0000 0.11   0.00   0.00   0.00   
1 1 1 12 12 9  f 7.6746  0.1844 1.0735  89.800    0.00   0.02   0.00   0.00   
1 1 1 12 12 10 o 35.061  0.2801 21.521  179.800   -0.35  0.00   0.00   0.00   
1 1 1 12 12 11 o 50.534  0.3332 55.696  90.000    0.00   0.11   0.00   0.00   
1 1 1 12 12 12 o 35.238  0.3262 26.138  180.000   -0.80  0.00   0.00   0.00   
1 1 1 12 12 13 o 6.4885  0.2804 3.8316  -90.1000  -0.00  -0.01  0.00   0.00   
1 1 1 12 12 14 f 10.232  0.2480 18.497  0.2000    0.03   0.00   0.00   0.00   
1 1 1 12 12 15 o 44.917  0.3293 50.059  90.000    0.00   0.24   0.00   0.00   
1 1 1 12 12 16 o 31.353  0.3111 28.465  180.000   0.41   0.00   0.00   0.00   
1 1 1 12 12 17 o 4.1110  0.4669 2.3894  90.300    0.00   0.01   0.00   0.00   
1 1 1 12 12 18 o 3.3764  0.5640 2.4868  0.4000    0.04   0.00   0.00   0.00   
1 1 1 12 12 19 o 24.176  0.2315 20.690  -90.0000  -0.00  -0.22  0.00   0.00   
1 1 1 12 12 20 o 26.463  0.2656 27.661  180.000   0.17   0.00   0.00   0.00   
1 1 1 12 12 21 o 5.5678  0.4628 3.5717  -90.0000  -0.00  -0.13  0.00   0.00   
1 1 1 12 12 22 o 17.003  0.2749 15.974  -0.0000   0.34   0.00   0.00   0.00   
1 1 1 12 12 23 o 5.5227  0.5417 4.6464  90.000    0.00   0.07   0.00   0.00   
1 1 1 12 12 24 o 6.1237  0.4899 6.5531  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 12 12 25 o 3.7148  0.9493 2.3266  -90.0000  -0.00  -0.01  0.00   0.00   
1 1 1 12 12 26 o 11.068  0.7276 ?       ?         0.17   0.00   0.00   0.00   
1 1 1 13 0  1  o 29.585  0.2164 27.957  45.100    -0.01  -0.01  0.00   0.00   
1 1 1 13 0  2  o 19.050  0.1691 8.9883  179.800   -0.08  0.00   0.00   0.00   
1 1 1 13 0  3  o 39.728  0.2700 26.102  -44.9000  0.20   -0.20  0.00   0.00   
1 1 1 13 0  4  o 49.069  0.3219 57.199  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 13 0  5  f 8.1548  0.1564 39.538  -135.1000 -0.00  -0.00  0.00   0.00   
1 1 1 13 0  6  o 50.922  0.3394 92.985  180.000   0.28   0.00   0.00   0.00   
1 1 1 13 0  7  o 45.642  0.2917 49.878  -45.0000  -0.09  0.09   0.00   0.00   
1 1 1 13 0  8  o 6.0498  0.1766 5.9812  90.500    -0.00  -0.01  0.00   0.00   
1 1 1 13 0  9  o 20.686  0.1678 13.078  -135.2000 0.01   0.01   0.00   0.00   
1 1 1 13 0  10 o 11.979  0.1809 25.541  0.0000    -0.04  0.00   0.00   0.00   
1 1 1 13 0  11 o 42.210  0.2847 49.061  135.000   0.17   -0.17  0.00   0.00   
1 1 1 13 0  12 o 8.3187  0.1995 14.499  -90.2000  -0.00  -0.03  0.00   0.00   
1 1 1 13 0  13 o 24.156  0.2459 17.508  -135.1000 0.05   0.05   0.00   0.00   
1 1 1 13 0  14 o 29.017  0.2426 34.770  -180.0000 -0.05  0.00   0.00   0.00   
1 1 1 13 0  15 o 12.704  0.2432 11.947  135.000   -0.09  0.09   0.00   0.00   
1 1 1 13 0  16 o 37.879  0.2609 43.363  -90.0000  0.00   0.35   0.00   0.00   
1 1 1 13 0  17 o 5.1962  0.4256 4.7904  45.200    0.02   0.02   0.00   0.00   
1 1 1 13 0  18 o 23.544  0.2688 24.255  -0.0000   0.19   0.00   0.00   0.00   
1 1 1 13 0  19 o 18.601  0.2336 22.043  -45.0000  0.21   -0.21  0.00   0.00   
1 1 1 13 0  20 o 15.627  0.2643 10.597  -90.0000  -0.00  -0.22  0.00   0.00   
1 1 1 13 0  21 o 15.199  0.2905 12.122  -135.0000 -0.47  -0.47  0.00   0.00   
1 1 1 13 0  22 o 9.5289  0.3197 8.9200  180.000   -0.18  0.00   0.00   0.00   
1 1 1 13 0  23 o 12.128  0.2937 10.786  135.000   0.09   -0.09  0.00   0.00   
1 1 1 13 0  24 o 10.630  0.3548 10.323  90.000    -0.00  -0.53  0.00   0.00   
1 1 1 13 0  25 o 4.0988  0.7257 4.0300  -135.0000 0.05   0.05   0.00   0.00   
1 1 1 13 0  26 o 14.920  0.4425 17.555  0.0000    0.46   0.00   0.00   0.00   
1 1 1 13 1  0  o 55.733  0.3530 40.827  0.0000    0.73   0.00   0.00   0.00   
1 1 1 13 1  1  o 17.959  0.5038 17.382  124.700   -0.09  0.47   0.02   0.01   
1 1 1 13 1  2  o 14.536  0.1709 5.2025  -141.2000 0.77   -0.26  -0.59  0.20   
1 1 1 13 1  3  o 34.150  0.4096 35.187  -119.7000 -1.82  -0.97  -0.60  -0.44  
1 1 1 13 1  4  o 28.410  0.6853 30.902  42.600    8.30   2.21   -4.38  -1.61  
1 1 1 13 1  5  o 43.556  0.7543 46.290  -5.3000   4.42   3.60   -0.42  -1.31  
1 1 1 13 1  6  o 66.272  0.8071 77.782  77.400    5.23   3.98   -0.84  -1.71  
1 1 1 13 1  7  o 30.262  0.3123 27.538  -165.9000 -0.32  -3.78  2.98   -0.18  
1 1 1 13 1  8  o 61.844  0.3965 64.181  -91.8000  4.08   -3.12  -1.25  2.70   
1 1 1 13 1  9  o 93.621  0.3835 101.055 74.200    -0.22  -0.52  0.36   0.34   
1 1 1 13 1  10 o 55.700  0.2950 57.424  -164.6000 -1.15  -2.28  0.36   -0.91  
1 1 1 13 1  11 o 39.157  0.3268 43.257  -122.5000 0.81   -2.14  0.52   0.29   
1 1 1 13 1  12 o 45.479  0.6831 55.772  112.700   -4.10  3.41   -0.03  0.77   
1 1 1 13 1  13 o 9.2512  0.6047 7.6940  -109.2000 -0.75  7.93   1.98   0.45   
1 1 1 13 1  14 o 37.419  0.6226 31.839  -51.1000  4.35   0.15   -0.58  -0.13  
1 1 1 13 1  15 o 44.253  0.2200 40.935  -23.7000  1.44   -1.45  1.07   1.27   
1 1 1 13 1  16 o 15.642  0.1530 11.808  62.400    0.64   0.22   -0.72  -0.09  
1 1 1 13 1  17 o 22.078  0.3573 24.213  -29.4000  0.63   -3.13  0.59   0.41   
1 1 1 13 1  18 o 19.299  0.5183 17.839  76.900    5.48   4.93   -0.38  -1.62  
1 1 1 13 1  19 o 12.856  0.1771 6.8452  10.700    -0.55  -0.70  1.32   -0.35  
1 1 1 13 1  20 o 39.589  0.2970 39.994  -5.8000   1.54   -1.84  0.59   0.05   
1 1 1 13 1  21 o 10.225  0.2121 12.290  -121.5000 0.13   -0.22  -0.05  0.05   
1 1 1 13 1  22 o 20.089  0.1819 20.591  -21.7000  -0.18  -0.51  -0.22  -0.06  
1 1 1 13 1  23 o 3.7429  0.4797 3.6084  164.000   0.34   0.13   -0.00  -0.06  
1 1 1 13 1  24 o 5.9976  0.3665 3.9315  11.200    0.64   0.60   0.10   -0.12  
1 1 1 13 1  25 o 8.6941  0.3313 10.443  -167.6000 -0.54  0.09   0.14   -0.10  
1 1 1 13 1  26 o 11.483  0.3569 12.848  -7.8000   0.15   0.23   0.01   0.00   
1 1 1 13 2  0  o 52.066  0.3245 29.721  -0.1000   0.32   0.00   0.00   0.00   
1 1 1 13 2  1  o 23.732  0.6640 13.464  -28.9000  6.08   2.28   -1.78  -2.07  
1 1 1 13 2  2  o 28.576  1.9042 18.133  -51.2000  25.39  4.84   -4.94  -1.62  
1 1 1 13 2  3  o 9.7804  0.2277 17.460  32.600    -1.28  0.26   -0.87  0.21   
1 1 1 13 2  4  o 22.940  0.6760 20.699  -94.4000  0.56   -2.22  0.26   0.19   
1 1 1 13 2  5  o 38.608  0.4947 39.366  -24.1000  -0.41  -2.52  0.54   -0.27  
1 1 1 13 2  6  o 136.389 0.7073 119.319 -34.1000  2.82   0.03   -0.68  0.41   
1 1 1 13 2  7  o 75.636  1.1543 73.836  -152.1000 -5.52  -3.46  -0.31  -0.88  
1 1 1 13 2  8  o 94.217  0.3867 101.501 -135.6000 0.39   -1.08  -0.22  1.40   
1 1 1 13 2  9  o 71.061  0.5944 63.735  126.300   -8.31  -2.87  -2.77  -3.03  
1 1 1 13 2  10 o 17.182  1.0210 15.622  -103.6000 -30.55 -1.99  -7.67  -0.89  
1 1 1 13 2  11 o 13.399  0.1394 16.805  119.000   1.36   0.59   -1.20  -1.95  
1 1 1 13 2  12 o 33.166  0.2210 32.780  37.200    0.30   0.61   1.01   2.56   
1 1 1 13 2  13 o 24.936  0.2334 24.029  -143.4000 -1.23  -0.11  -0.34  0.03   
1 1 1 13 2  14 o 24.528  0.4803 29.309  130.300   -4.44  -0.38  -0.83  -0.24  
1 1 1 13 2  15 f 24.318  0.1515 20.145  120.300   0.00   0.19   -0.53  -0.03  
1 1 1 13 2  16 o 22.481  0.3954 21.351  -133.1000 -1.64  -4.71  1.31   -0.76  
1 1 1 13 2  17 o 27.013  0.2836 24.937  86.600    0.20   1.51   0.23   -0.17  
1 1 1 13 2  18 o 34.243  0.4071 26.817  -41.9000  4.84   -0.92  -1.40  0.06   
1 1 1 13 2  19 o 26.807  0.1792 23.282  -146.5000 -0.64  -0.65  0.69   0.85   
1 1 1 13 2  20 o 10.242  0.1950 6.6497  83.300    0.51   0.28   0.00   -0.12  
1 1 1 13 2  21 o 17.205  0.1675 16.391  -82.4000  0.11   0.08   0.02   0.01   
1 1 1 13 2  22 o 14.562  0.2182 14.937  -25.8000  0.06   1.28   0.25   -0.25  
1 1 1 13 2  23 o 3.2490  0.5775 3.4790  -152.9000 0.30   -0.12  -0.03  0.01   
1 1 1 13 2  24 o 16.754  0.1944 15.846  34.200    0.88   0.59   0.27   -0.02  
1 1 1 13 2  25 o 8.4303  0.4721 8.4043  123.600   0.77   0.08   -0.03  -0.06  
1 1 1 13 2  26 o 17.758  0.4469 18.257  170.100   -2.94  1.58   -0.52  -0.22  
1 1 1 13 3  0  o 37.951  0.2513 64.107  -0.0000   -0.14  0.00   0.00   0.00   
1 1 1 13 3  1  o 27.223  1.3300 17.437  -91.7000  1.27   -13.44 2.91   0.31   
1 1 1 13 3  2  o 21.993  0.2160 12.581  -94.3000  1.07   -0.44  -0.30  0.73   
1 1 1 13 3  3  o 23.294  0.6130 20.160  16.500    -3.25  4.60   0.46   2.40   
1 1 1 13 3  4  o 99.722  0.5233 102.169 161.500   -0.73  0.55   -0.10  0.02   
1 1 1 13 3  5  o 78.617  0.5987 57.850  -61.3000  1.46   -1.56  -0.11  0.39   
1 1 1 13 3  6  o 90.177  1.5480 100.914 118.800   -5.69  13.15  2.21   1.88   
1 1 1 13 3  7  f 61.621  0.2634 79.557  88.500    0.12   0.03   -0.06  0.06   
1 1 1 13 3  8  o 82.397  0.5940 60.287  -147.5000 -3.77  0.96   -0.79  0.67   
1 1 1 13 3  9  o 45.110  0.2007 66.838  -141.0000 -0.04  -2.06  1.75   0.36   
1 1 1 13 3  10 o 24.639  0.7383 16.944  18.100    -0.51  16.89  5.31   0.51   
1 1 1 13 3  11 o 39.252  0.4384 39.445  93.500    1.09   2.71   0.32   -0.42  
1 1 1 13 3  12 o 30.136  0.4665 33.110  95.800    -1.84  6.25   1.51   1.26   
1 1 1 13 3  13 o 16.378  0.3129 15.218  69.900    3.94   -0.17  -1.85  0.41   
1 1 1 13 3  14 o 30.312  0.2972 39.346  150.900   -2.25  3.53   0.43   2.12   
1 1 1 13 3  15 o 29.702  0.1638 30.213  -69.5000  1.38   -0.47  -2.25  -0.04  
1 1 1 13 3  16 o 19.419  0.2202 15.780  -42.4000  -0.07  -1.43  0.45   0.07   
1 1 1 13 3  17 o 26.390  0.3348 20.810  -145.4000 -0.38  -1.04  0.06   -0.09  
1 1 1 13 3  18 o 11.200  0.1750 12.335  148.500   -0.38  0.32   0.66   0.49   
1 1 1 13 3  19 o 18.792  0.2011 23.498  -5.8000   0.59   2.16   0.99   -0.05  
1 1 1 13 3  20 o 15.249  0.1724 16.288  130.500   -0.07  0.11   0.01   -0.03  
1 1 1 13 3  21 o 15.576  0.1713 19.457  74.800    0.13   0.60   -0.58  -0.18  
1 1 1 13 3  22 o 11.406  0.2206 11.193  -21.0000  -1.04  -0.81  0.16   -0.40  
1 1 1 13 3  23 o 1.2158  0.8601 3.9451  -66.0000  -0.08  0.13   0.08   -0.03  
1 1 1 13 3  24 o 5.9600  0.3698 5.2172  -10.2000  -0.41  -0.30  0.04   -0.06  
1 1 1 13 3  25 o 7.7801  0.7062 6.4173  178.100   -1.49  -0.18  -0.11  0.04   
1 1 1 13 3  26 o 7.0467  0.4916 6.3415  85.600    0.64   0.56   0.14   -0.01  
1 1 1 13 4  0  o 40.146  0.2549 41.006  0.0000    0.09   0.00   0.00   0.00   
1 1 1 13 4  1  o 43.847  0.7846 20.236  59.000    6.29   -3.99  -0.54  2.80   
1 1 1 13 4  2  o 62.211  1.7848 59.063  -161.3000 -11.46 -2.78  -1.21  -0.91  
1 1 1 13 4  3  o 18.401  0.3829 23.839  -117.1000 -1.05  -1.47  0.09   -0.61  
1 1 1 13 4  4  o 57.465  0.2470 83.768  104.400   -1.80  0.79   -1.67  0.53   
1 1 1 13 4  5  f 40.488  0.5359 49.771  120.400   -1.14  4.02   1.14   0.96   
1 1 1 13 4  6  f 27.837  0.6644 24.183  -87.3000  -0.28  -4.66  0.93   -0.15  
1 1 1 13 4  7  f 53.269  0.2350 54.861  -89.2000  1.56   0.22   -1.04  -0.72  
1 1 1 13 4  8  f 46.905  0.4725 28.327  -151.7000 -2.44  0.87   -0.31  0.30   
1 1 1 13 4  9  o 68.889  0.4373 76.945  173.100   -2.21  3.63   1.11   1.34   
1 1 1 13 4  10 o 57.985  0.2565 56.948  145.500   -0.52  -0.70  0.12   -0.16  
1 1 1 13 4  11 o 54.563  0.2911 55.669  39.500    1.13   1.54   -0.09  -0.66  
1 1 1 13 4  12 o 29.655  0.2703 46.075  -169.2000 -1.35  2.61   0.46   1.05   
1 1 1 13 4  13 o 12.219  0.6170 12.167  136.100   -4.33  6.59   0.81   1.65   
1 1 1 13 4  14 o 34.241  0.2321 37.300  -151.2000 -0.87  0.54   -0.00  0.26   
1 1 1 13 4  15 o 37.268  0.2094 29.040  15.200    0.12   -1.07  0.26   -0.05  
1 1 1 13 4  16 o 22.245  0.2459 21.200  -47.7000  1.26   -1.29  -0.11  0.50   
1 1 1 13 4  17 o 9.3297  0.5564 8.4692  107.700   0.06   3.79   0.51   0.02   
1 1 1 13 4  18 o 17.950  0.1635 17.048  118.100   0.54   0.99   0.42   -0.21  
1 1 1 13 4  19 o 14.617  0.2605 13.389  -111.2000 -2.46  -1.84  0.04   -1.26  
1 1 1 13 4  20 o 6.0177  0.4452 6.6322  85.300    -0.88  -0.77  -0.05  -0.13  
1 1 1 13 4  21 o 20.462  0.4078 20.009  -173.8000 0.22   1.34   0.08   -0.08  
1 1 1 13 4  22 o 11.802  0.1996 12.128  -134.4000 -0.63  -0.39  0.08   -0.15  
1 1 1 13 4  23 o 11.646  0.2065 11.762  101.400   0.31   1.40   -0.64  -1.09  
1 1 1 13 4  24 o 4.9564  0.4107 5.4682  -122.5000 0.19   0.23   -0.05  -0.03  
1 1 1 13 4  25 o 8.4108  0.4312 8.4169  168.100   -0.70  0.75   0.11   0.06   
1 1 1 13 4  26 o 4.8701  0.7180 5.4426  -176.4000 -0.02  0.08   -0.00  0.00   
1 1 1 13 5  0  o 62.040  0.3813 69.454  -180.0000 -0.16  0.00   0.00   0.00   
1 1 1 13 5  1  o 39.189  0.2423 44.954  163.100   0.03   0.03   0.00   -0.00  
1 1 1 13 5  2  o 62.184  1.5876 59.034  -9.4000   10.51  -4.08  -1.51  0.92   
1 1 1 13 5  3  o 81.277  0.3572 68.287  69.000    -1.25  2.08   -0.81  1.06   
1 1 1 13 5  4  o 8.0002  0.2253 23.260  -24.8000  0.15   0.79   0.22   -0.10  
1 1 1 13 5  5  o 41.453  0.5634 42.729  -28.9000  6.47   4.10   -1.28  -4.09  
1 1 1 13 5  6  o 55.428  0.2942 51.118  -131.0000 0.27   -1.78  0.89   0.04   
1 1 1 13 5  7  o 17.124  0.4033 17.036  -33.2000  0.04   -2.43  0.66   -0.01  
1 1 1 13 5  8  o 97.849  0.3998 95.488  -23.2000  0.65   0.72   0.71   -0.38  
1 1 1 13 5  9  o 26.584  0.3959 3.1904  -55.4000  -5.62  0.99   -1.97  0.61   
1 1 1 13 5  10 o 38.893  0.5869 19.712  172.700   -8.61  4.87   -1.85  2.61   
1 1 1 13 5  11 o 20.555  0.2261 32.645  -125.6000 -3.54  0.68   -2.13  1.19   
1 1 1 13 5  12 o 23.247  0.4062 25.568  -86.4000  -2.38  -0.94  -0.23  -0.26  
1 1 1 13 5  13 o 9.3210  0.2780 14.716  -6.3000   0.73   1.91   0.44   -0.47  
1 1 1 13 5  14 o 33.640  0.5957 29.406  -107.8000 5.44   -8.80  1.17   4.18   
1 1 1 13 5  15 o 18.248  1.0267 8.9113  64.400    2.19   15.38  1.87   -0.62  
1 1 1 13 5  16 o 10.970  0.3164 11.952  -175.2000 -3.05  1.11   -0.83  0.58   
1 1 1 13 5  17 o 24.589  0.1513 27.296  63.700    -0.62  0.13   -0.17  -0.03  
1 1 1 13 5  18 o 21.869  0.1547 20.677  -35.0000  0.16   -0.43  0.24   -0.32  
1 1 1 13 5  19 f 9.3590  0.2108 5.1694  125.100   -0.41  -0.76  -0.04  -0.73  
1 1 1 13 5  20 o 18.244  0.3501 18.249  -100.0000 0.25   -1.72  0.20   0.22   
1 1 1 13 5  21 o 20.751  0.1752 21.712  164.200   -0.52  0.58   0.25   -0.51  
1 1 1 13 5  22 o 4.9333  0.3948 4.1553  -120.0000 0.14   -0.34  0.02   0.01   
1 1 1 13 5  23 o 11.898  0.2991 10.147  107.200   -0.14  -0.15  0.00   -0.00  
1 1 1 13 5  24 o 11.313  0.2795 9.9270  -139.7000 -0.85  0.15   -0.09  -0.06  
1 1 1 13 5  25 o 6.3411  0.3757 6.0062  41.800    0.25   -0.08  0.05   -0.00  
1 1 1 13 5  26 o 3.5752  0.6672 2.6262  -179.0000 -0.23  -0.06  0.03   0.03   
1 1 1 13 6  0  o 23.763  0.1858 2.9947  -179.7000 -0.11  0.00   0.00   0.00   
1 1 1 13 6  1  o 18.425  0.7290 20.027  -89.0000  4.51   0.11   -1.04  0.05   
1 1 1 13 6  2  o 41.781  0.8013 39.374  -153.0000 -5.57  -2.35  -1.46  -0.94  
1 1 1 13 6  3  o 49.230  0.5839 37.386  -86.4000  -1.68  -2.69  0.69   -0.63  
1 1 1 13 6  4  o 37.077  0.7641 19.214  -5.2000   5.18   -1.85  -0.83  0.81   
1 1 1 13 6  5  o 35.139  0.3307 39.309  113.500   -0.21  1.24   0.31   0.05   
1 1 1 13 6  6  o 30.134  0.2487 45.979  -6.1000   -1.03  1.20   0.23   0.77   
1 1 1 13 6  7  o 52.990  0.2368 43.456  -76.9000  -0.35  -0.50  -0.02  -0.38  
1 1 1 13 6  8  o 36.564  0.2074 40.257  -131.4000 0.23   -0.15  -0.05  0.06   
1 1 1 13 6  9  o 32.764  0.7749 35.226  -74.0000  -5.61  -13.87 2.64   -2.72  
1 1 1 13 6  10 o 24.620  0.3668 37.572  -141.0000 -3.63  -4.14  0.36   -1.88  
1 1 1 13 6  11 o 9.5353  0.4725 16.814  -136.1000 -8.88  -1.46  -2.94  -0.90  
1 1 1 13 6  12 o 23.104  0.3489 19.131  -3.5000   3.64   -1.33  -0.75  0.80   
1 1 1 13 6  13 o 29.929  0.6175 29.547  -104.2000 4.20   -7.58  1.12   2.57   
1 1 1 13 6  14 o 23.760  0.1477 22.802  93.700    -0.11  0.63   0.25   0.79   
1 1 1 13 6  15 o 19.670  0.1522 12.353  -163.5000 0.08   0.20   0.26   0.08   
1 1 1 13 6  16 o 47.607  0.3297 45.437  -130.8000 -3.36  0.90   -0.71  1.17   
1 1 1 13 6  17 o 23.409  0.2897 21.967  -66.4000  -2.05  -1.18  -0.15  -0.57  
1 1 1 13 6  18 o 10.778  0.1800 10.964  14.500    0.24   0.16   -0.13  -0.06  
1 1 1 13 6  19 o 9.8540  0.2011 11.172  -137.0000 -1.11  -0.82  0.15   -0.94  
1 1 1 13 6  20 o 16.696  0.2923 16.652  -4.1000   1.27   1.30   0.24   -0.37  
1 1 1 13 6  21 o 32.120  0.6633 32.530  82.000    -3.63  6.65   0.07   1.51   
1 1 1 13 6  22 o 8.0815  0.2469 6.5255  62.300    -0.27  0.55   -0.02  0.15   
1 1 1 13 6  23 f 15.121  0.1878 13.609  86.100    -1.16  0.13   0.19   -0.68  
1 1 1 13 6  24 o 11.709  0.2146 9.1291  32.400    -0.76  0.41   0.02   -0.49  
1 1 1 13 6  25 f 7.9081  0.3322 4.2769  -134.6000 0.11   0.40   -0.03  -0.04  
1 1 1 13 6  26 o 7.8184  0.5741 ?       ?         -0.39  -0.86  -0.02  -0.06  
1 1 1 13 7  0  o 29.616  0.2694 35.941  180.000   0.45   0.00   0.00   0.00   
1 1 1 13 7  1  o 65.192  0.9341 71.743  -122.0000 -6.80  -4.58  -0.11  -2.67  
1 1 1 13 7  2  o 44.677  0.2811 36.156  -53.5000  1.88   0.61   -0.38  -1.34  
1 1 1 13 7  3  o 41.627  0.2508 36.850  57.300    1.88   -0.18  -1.30  -0.17  
1 1 1 13 7  4  o 77.842  1.3950 76.802  -95.7000  9.52   -15.02 1.50   4.90   
1 1 1 13 7  5  o 107.452 0.8899 113.400 167.800   -1.14  5.62   1.18   1.25   
1 1 1 13 7  6  o 16.956  0.2037 26.935  -91.7000  0.44   -0.23  -0.07  0.08   
1 1 1 13 7  7  o 33.644  0.1635 38.511  40.500    1.84   0.01   -2.23  -0.45  
1 1 1 13 7  8  o 12.498  0.2964 11.370  -86.5000  2.74   -1.39  -0.57  0.82   
1 1 1 13 7  9  o 29.451  0.2821 31.731  -20.2000  4.43   -0.10  -2.09  -0.10  
1 1 1 13 7  10 o 31.318  0.1631 33.569  -177.9000 -0.87  -0.64  1.42   -2.62  
1 1 1 13 7  11 o 55.534  0.2784 57.471  90.000    -3.09  1.90   -3.34  1.55   
1 1 1 13 7  12 f 16.281  0.4585 15.617  -36.1000  2.73   -4.76  0.67   1.01   
1 1 1 13 7  13 o 45.299  0.3179 42.273  50.600    1.55   0.32   -0.38  0.03   
1 1 1 13 7  14 o 36.719  0.3698 28.108  152.300   -3.17  -0.61  -1.11  -0.04  
1 1 1 13 7  15 o 16.130  0.6448 14.903  81.300    -1.09  3.36   0.31   0.19   
1 1 1 13 7  16 o 46.331  0.2264 47.198  -132.0000 -0.36  -0.35  0.30   0.10   
1 1 1 13 7  17 o 12.013  0.2205 14.432  134.200   -0.98  1.89   0.63   0.60   
1 1 1 13 7  18 o 47.769  0.2212 48.107  77.400    -0.17  1.32   -0.06  0.43   
1 1 1 13 7  19 o 13.721  0.1937 12.183  144.900   -0.29  -0.28  0.01   -0.04  
1 1 1 13 7  20 o 6.0839  0.5412 5.6636  53.800    0.79   -0.62  -0.03  0.06   
1 1 1 13 7  21 o 26.749  0.1814 24.679  -97.2000  -0.55  -0.30  0.13   0.24   
1 1 1 13 7  22 o 12.439  0.3349 10.781  -12.8000  1.00   1.15   0.22   -0.22  
1 1 1 13 7  23 o 20.666  0.2463 21.000  21.300    1.61   1.99   0.95   0.01   
1 1 1 13 7  24 o 9.9896  0.3608 9.8588  24.100    2.09   0.28   -0.41  0.19   
1 1 1 13 7  25 o 8.0571  0.3422 8.1951  163.500   0.04   0.34   0.00   0.03   
1 1 1 13 7  26 o 10.999  0.3715 ?       ?         0.26   -0.16  0.01   -0.01  
1 1 1 13 8  0  o 15.466  0.1473 10.844  -179.8000 0.01   0.00   0.00   0.00   
1 1 1 13 8  1  f 34.883  1.2055 17.043  54.700    8.74   9.08   -0.26  -3.17  
1 1 1 13 8  2  o 15.087  0.6554 29.574  -20.5000  5.41   -0.38  -1.83  0.09   
1 1 1 13 8  3  o 48.613  0.2199 37.997  -177.2000 -0.36  0.20   1.41   -0.45  
1 1 1 13 8  4  o 18.600  0.1579 8.7998  -156.7000 -0.06  -0.20  0.02   -0.03  
1 1 1 13 8  5  o 70.724  0.3343 77.987  -0.7000   0.85   -0.80  -0.13  0.31   
1 1 1 13 8  6  o 29.146  0.4393 27.098  -90.9000  0.90   -2.99  0.75   0.57   
1 1 1 13 8  7  o 34.497  0.9934 20.540  -137.5000 -10.23 -13.40 0.84   -3.43  
1 1 1 13 8  8  o 12.313  0.1413 6.2409  -21.8000  -0.20  0.05   -0.37  0.41   
1 1 1 13 8  9  o 63.282  0.7972 59.627  36.000    0.89   6.83   1.15   -0.15  
1 1 1 13 8  10 o 18.045  0.4809 20.609  -96.1000  3.75   -4.37  0.26   1.27   
1 1 1 13 8  11 o 28.442  0.2171 24.862  164.700   -0.82  1.56   0.46   0.43   
1 1 1 13 8  12 o 40.494  0.2117 35.461  60.700    0.78   0.40   -0.03  -0.26  
1 1 1 13 8  13 o 43.059  0.3325 45.608  33.000    2.57   -1.08  -0.35  0.81   
1 1 1 13 8  14 o 20.256  0.4108 21.433  -82.4000  1.05   -0.72  -0.06  0.10   
1 1 1 13 8  15 o 52.412  0.8270 44.842  110.000   4.18   8.29   0.70   -1.90  
1 1 1 13 8  16 f 78.904  0.3430 74.716  72.100    2.90   1.30   -1.39  0.82   
1 1 1 13 8  17 o 21.411  0.2911 25.628  -85.2000  1.88   -2.19  -0.11  0.94   
1 1 1 13 8  18 o 13.813  0.1752 8.1024  125.600   0.10   -0.26  0.06   0.01   
1 1 1 13 8  19 o 22.172  0.3901 21.701  -32.2000  0.78   -5.59  2.14   -0.23  
1 1 1 13 8  20 o 6.6730  0.2788 5.2690  140.500   -0.05  -0.04  0.02   0.01   
1 1 1 13 8  21 o 8.5994  0.2309 6.7927  -165.0000 -0.03  0.01   0.01   -0.00  
1 1 1 13 8  22 o 17.537  0.1900 17.990  164.200   -0.49  -0.53  -0.12  0.33   
1 1 1 13 8  23 o 15.527  0.1984 17.331  139.900   -0.11  0.62   -0.09  -0.21  
1 1 1 13 8  24 o 5.7260  0.3794 4.7316  -0.2000   -0.06  -0.53  -0.03  -0.19  
1 1 1 13 8  25 o 6.9757  0.3942 6.9054  119.400   0.04   0.57   -0.00  -0.08  
1 1 1 13 8  26 o 8.8942  0.4395 ?       ?         0.21   -0.81  0.02   -0.06  
1 1 1 13 9  0  o 26.348  0.2537 19.483  -180.0000 0.26   0.00   0.00   0.00   
1 1 1 13 9  1  o 41.326  0.6198 45.786  -171.9000 -2.75  -0.52  -0.42  -0.23  
1 1 1 13 9  2  o 13.494  0.1565 4.0783  168.100   -0.56  0.66   0.01   0.60   
1 1 1 13 9  3  o 38.113  0.8788 39.908  -29.8000  6.75   -2.33  -1.21  0.80   
1 1 1 13 9  4  o 15.118  0.2808 27.114  84.300    -2.60  0.56   -1.70  0.60   
1 1 1 13 9  5  o 35.731  0.1741 17.340  130.200   0.50   1.00   0.34   -0.82  
1 1 1 13 9  6  o 71.498  0.3065 45.502  162.000   -0.19  -0.29  -0.03  -0.11  
1 1 1 13 9  7  o 28.926  0.2067 32.605  -151.2000 1.51   -2.04  0.34   1.71   
1 1 1 13 9  8  o 81.096  0.3377 69.548  -71.7000  -0.57  -2.30  1.06   -0.09  
1 1 1 13 9  9  o 64.555  0.7032 64.096  131.400   -5.45  3.89   -0.66  1.25   
1 1 1 13 9  10 o 64.154  0.8957 55.154  90.300    0.82   3.65   0.25   -0.18  
1 1 1 13 9  11 o 24.377  0.7486 20.792  -31.2000  12.09  -5.32  -1.99  2.45   
1 1 1 13 9  12 o 10.506  0.4439 6.2071  153.500   9.16   2.27   -3.26  -1.89  
1 1 1 13 9  13 o 34.101  0.5224 27.783  -47.6000  3.74   -3.16  -0.36  1.00   
1 1 1 13 9  14 o 33.187  0.5824 35.609  -52.1000  4.58   -0.40  -0.82  -0.01  
1 1 1 13 9  15 o 31.192  0.1829 28.207  111.100   -0.53  -0.05  -0.10  0.05   
1 1 1 13 9  16 o 21.055  0.4435 18.809  138.200   -2.00  -2.33  0.16   -0.48  
1 1 1 13 9  17 o 30.947  0.1973 31.816  20.300    0.28   -0.63  -0.05  0.26   
1 1 1 13 9  18 o 23.773  0.1591 26.605  71.500    0.56   0.38   -0.61  0.73   
1 1 1 13 9  19 o 22.315  0.1741 25.476  -130.8000 -0.45  -1.03  0.33   -0.04  
1 1 1 13 9  20 o 4.2015  0.3919 4.1285  51.600    0.04   0.34   0.06   0.01   
1 1 1 13 9  21 o 7.2285  0.2739 3.0832  23.000    0.45   -0.12  0.01   0.35   
1 1 1 13 9  22 o 9.4058  0.2420 10.707  146.400   0.78   -0.34  -0.29  -0.04  
1 1 1 13 9  23 o 9.3150  0.2487 10.636  -120.7000 -0.85  0.12   -0.04  0.31   
1 1 1 13 9  24 o 6.7309  0.3476 5.5683  -120.6000 0.89   -0.29  -0.20  -0.06  
1 1 1 13 9  25 f 8.1799  0.3819 8.1359  -38.1000  -0.19  0.51   -0.03  -0.11  
1 1 1 13 9  26 o 5.4677  0.7082 ?       ?         0.27   -0.35  0.01   -0.02  
1 1 1 13 10 0  o 22.298  0.1868 20.484  0.1000    0.01   0.00   0.00   0.00   
1 1 1 13 10 1  o 60.152  0.4400 48.273  -85.3000  3.60   -4.73  -0.41  5.39   
1 1 1 13 10 2  o 67.113  1.4444 56.759  -169.1000 -15.46 -4.87  -2.62  -2.29  
1 1 1 13 10 3  o 37.885  0.1855 24.200  14.400    0.62   0.59   -0.45  -0.71  
1 1 1 13 10 4  o 146.377 0.5786 133.416 -106.3000 -0.59  -0.85  -0.76  0.51   
1 1 1 13 10 5  o 84.470  0.3463 95.080  39.300    0.08   0.26   -0.11  0.35   
1 1 1 13 10 6  o 112.759 0.6182 114.532 54.600    -0.19  4.38   1.49   0.80   
1 1 1 13 10 7  o 43.901  0.6482 36.762  174.500   -4.43  -6.51  1.04   -2.18  
1 1 1 13 10 8  o 88.956  0.3847 75.079  86.200    0.04   0.20   -0.12  0.08   
1 1 1 13 10 9  f 58.039  0.2671 44.790  39.800    1.36   -0.37  -0.49  0.88   
1 1 1 13 10 10 o 39.175  0.1942 31.129  -176.9000 0.01   -2.08  1.67   0.77   
1 1 1 13 10 11 o 30.941  0.1933 44.746  65.500    0.66   0.91   0.47   -0.50  
1 1 1 13 10 12 o 17.652  0.3060 12.284  -6.5000   1.60   -1.90  0.23   0.71   
1 1 1 13 10 13 o 21.804  0.2497 26.602  69.900    1.17   1.89   0.46   -0.61  
1 1 1 13 10 14 o 40.429  0.2034 40.374  -104.2000 -0.90  -0.30  -0.43  0.03   
1 1 1 13 10 15 o 20.896  0.1858 25.135  -122.3000 -1.23  -0.63  -0.16  -0.59  
1 1 1 13 10 16 o 35.658  0.4598 33.474  -77.6000  0.54   -2.40  0.33   0.05   
1 1 1 13 10 17 o 35.583  0.3203 42.527  -120.4000 1.93   -4.40  0.61   1.92   
1 1 1 13 10 18 o 20.061  0.5174 16.425  -20.3000  6.17   -2.34  -0.95  1.26   
1 1 1 13 10 19 o 10.231  0.3488 8.1819  131.300   0.13   -0.03  -0.00  0.00   
1 1 1 13 10 20 o 11.102  0.2404 12.162  -149.2000 -1.28  -2.07  0.93   -0.69  
1 1 1 13 10 21 o 11.030  0.2189 9.3968  -82.2000  -0.18  -1.14  0.41   0.14   
1 1 1 13 10 22 o 6.2551  0.3214 7.3212  96.100    -0.82  0.32   -0.04  0.22   
1 1 1 13 10 23 o 14.433  0.1974 12.132  -88.3000  0.32   -1.13  0.29   -0.30  
1 1 1 13 10 24 o 7.2169  0.5375 7.4902  158.300   -0.97  -0.45  -0.08  -0.02  
1 1 1 13 10 25 o 7.8631  0.3708 8.8243  -92.2000  0.71   -0.88  -0.31  0.06   
1 1 1 13 10 26 o 10.129  1.0071 ?       ?         -0.29  1.77   0.00   0.08   
1 1 1 13 11 0  o 63.250  0.4295 21.912  180.000   0.04   0.00   0.00   0.00   
1 1 1 13 11 1  o 57.890  0.3061 43.184  156.100   -0.05  -0.40  0.05   -0.26  
1 1 1 13 11 2  o 42.006  0.2722 43.166  -61.6000  1.05   -0.42  -0.35  0.17   
1 1 1 13 11 3  o 72.921  0.8295 68.904  147.900   -3.88  -0.25  -0.65  0.06   
1 1 1 13 11 4  o 120.533 0.9015 132.375 -94.5000  -0.91  -1.27  -0.00  -0.13  
1 1 1 13 11 5  o 64.408  0.2731 65.018  94.800    0.68   1.22   0.13   -0.87  
1 1 1 13 11 6  o 77.099  0.3707 75.431  113.900   0.26   2.46   0.82   -0.44  
1 1 1 13 11 7  o 30.720  0.2828 35.019  -92.5000  3.99   0.06   -2.20  0.14   
1 1 1 13 11 8  f 28.067  0.1483 15.559  -162.9000 -0.05  -0.13  0.01   -0.01  
1 1 1 13 11 9  o 25.257  0.8832 16.677  97.500    8.30   18.31  2.60   -3.12  
1 1 1 13 11 10 o 26.622  0.4229 27.169  35.300    3.40   -8.07  3.26   2.76   
1 1 1 13 11 11 o 13.599  0.1221 8.0297  -95.8000  -0.28  0.04   -0.23  0.24   
1 1 1 13 11 12 o 31.012  0.2536 39.034  120.700   0.26   2.22   0.79   -0.51  
1 1 1 13 11 13 f 4.8960  0.2188 13.718  -111.8000 1.32   0.26   -1.35  -0.74  
1 1 1 13 11 14 o 37.212  0.1842 37.896  -50.4000  -0.49  -1.84  0.75   -1.85  
1 1 1 13 11 15 o 33.535  0.1817 34.915  -23.5000  0.27   0.16   0.07   -0.09  
1 1 1 13 11 16 o 39.237  0.4561 35.205  137.500   -1.14  0.97   -0.06  0.11   
1 1 1 13 11 17 o 15.612  0.3142 12.066  -101.3000 1.47   -2.76  0.53   0.56   
1 1 1 13 11 18 o 20.680  0.3752 23.510  -129.5000 0.68   -4.91  1.42   0.91   
1 1 1 13 11 19 o 23.716  0.2360 23.765  173.900   -1.63  0.33   -0.43  -0.15  
1 1 1 13 11 20 o 24.990  0.5408 24.796  12.000    3.51   -0.49  -0.34  0.29   
1 1 1 13 11 21 f 6.0912  0.3142 1.1021  108.800   -0.08  0.54   0.07   -0.00  
1 1 1 13 11 22 o 9.9913  0.3018 11.362  161.100   -1.84  -2.36  0.94   -0.84  
1 1 1 13 11 23 o 8.8925  0.3016 7.2801  -13.8000  -0.78  -1.32  0.29   -0.14  
1 1 1 13 11 24 f 4.8107  0.4294 1.2772  -67.2000  -0.16  0.46   -0.03  0.09   
1 1 1 13 11 25 o 15.422  0.2662 16.334  101.100   -0.77  0.52   -0.02  -0.15  
1 1 1 13 11 26 o 5.2949  0.6732 ?       ?         0.56   -0.36  0.03   0.03   
1 1 1 13 12 0  o 62.126  0.6404 44.565  180.000   0.07   0.00   0.00   0.00   
1 1 1 13 12 1  o 11.139  0.4570 47.295  -134.3000 -3.91  -4.35  0.21   -3.17  
1 1 1 13 12 2  o 30.910  0.2914 27.378  145.400   0.74   2.59   1.28   -1.17  
1 1 1 13 12 3  o 46.827  0.9803 51.526  -78.1000  -1.64  -6.16  0.76   -0.50  
1 1 1 13 12 4  o 112.914 0.4534 118.197 121.500   -0.69  0.61   -1.09  -0.59  
1 1 1 13 12 5  o 21.778  0.1402 15.058  41.300    2.31   -0.54  -4.06  2.77   
1 1 1 13 12 6  o 26.036  1.0922 11.959  43.900    -21.97 21.00  -0.60  9.38   
1 1 1 13 12 7  o 56.854  0.2493 67.802  136.200   -1.23  0.98   -0.51  0.80   
1 1 1 13 12 8  o 75.677  0.8827 71.860  -12.7000  11.15  3.60   -2.22  -2.26  
1 1 1 13 12 9  o 12.618  0.1595 15.114  -66.2000  1.01   -0.87  -0.18  0.65   
1 1 1 13 12 10 o 52.574  0.3583 55.631  -15.0000  -0.15  -2.80  0.81   0.23   
1 1 1 13 12 11 o 49.729  0.2659 52.997  14.800    -0.76  -0.09  -0.06  -0.50  
1 1 1 13 12 12 o 18.174  0.4048 25.053  -156.8000 -3.43  0.96   -0.77  0.36   
1 1 1 13 12 13 o 14.336  0.1305 15.310  48.500    0.00   0.05   0.00   -0.02  
1 1 1 13 12 14 o 33.147  0.1817 34.365  -92.3000  -0.29  -0.08  -0.13  0.07   
1 1 1 13 12 15 o 45.619  0.7297 47.933  97.900    1.49   2.79   0.17   -0.16  
1 1 1 13 12 16 o 23.125  0.1472 18.593  -143.9000 -0.00  -0.04  -0.01  -0.00  
1 1 1 13 12 17 o 22.684  0.4682 20.614  154.700   -3.69  2.31   -0.38  0.54   
1 1 1 13 12 18 o 16.096  0.1607 14.576  179.300   -0.92  -0.76  -0.34  -0.39  
1 1 1 13 12 19 o 22.040  0.4181 22.588  -106.6000 -1.81  -0.64  -0.18  -0.06  
1 1 1 13 12 20 o 7.4785  0.2708 3.0592  -161.6000 -0.47  0.09   -0.06  0.09   
1 1 1 13 12 21 o 11.491  0.3077 11.969  -81.8000  -0.58  -1.12  0.03   -0.19  
1 1 1 13 12 22 o 9.8934  0.4533 9.0894  -52.0000  3.06   1.41   -0.62  -0.33  
1 1 1 13 12 23 o 14.746  0.1900 15.422  150.600   -0.64  1.04   0.30   -0.18  
1 1 1 13 12 24 o 4.2397  0.4351 3.3980  -28.7000  -0.21  0.22   -0.08  -0.02  
1 1 1 13 12 25 o 13.045  0.3108 14.428  -44.4000  0.67   -0.30  -0.04  -0.05  
1 1 1 13 12 26 o 8.4326  0.5514 ?       ?         -0.31  1.10   -0.15  -0.04  
1 1 1 13 13 0  f 46.230  0.7314 46.063  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 13 13 1  o 141.578 1.0050 119.923 -90.0000  -0.00  -0.17  0.00   0.00   
1 1 1 13 13 2  o 74.029  0.4424 68.025  -180.0000 -0.23  0.00   0.00   0.00   
1 1 1 13 13 3  f 73.097  0.4595 31.153  -90.0000  0.00   0.33   0.00   0.00   
1 1 1 13 13 4  o 41.483  0.3122 39.250  -179.9000 -0.10  0.00   0.00   0.00   
1 1 1 13 13 5  o 18.929  0.2142 15.402  -90.1000  -0.00  -0.05  0.00   0.00   
1 1 1 13 13 6  o 110.964 0.6464 101.559 -0.0000   0.80   0.00   0.00   0.00   
1 1 1 13 13 7  o 13.214  0.2561 25.158  90.000    -0.00  -0.02  0.00   0.00   
1 1 1 13 13 8  o 12.012  0.2447 3.1115  -178.7000 0.04   0.00   0.00   0.00   
1 1 1 13 13 9  o 67.905  0.4440 72.977  -90.0000  0.00   0.03   0.00   0.00   
1 1 1 13 13 10 o 46.447  0.3101 39.071  -179.9000 0.12   0.00   0.00   0.00   
1 1 1 13 13 11 o 80.610  0.5660 75.948  -90.0000  -0.00  -0.12  0.00   0.00   
1 1 1 13 13 12 o 32.238  0.2463 36.978  -0.1000   0.16   0.00   0.00   0.00   
1 1 1 13 13 13 o 5.9917  0.3015 12.029  90.100    0.00   0.02   0.00   0.00   
1 1 1 13 13 14 o 6.5038  0.3149 0.5039  -174.8000 -0.05  0.00   0.00   0.00   
1 1 1 13 13 15 o 21.152  0.2477 14.684  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 13 13 16 o 3.4929  0.5076 5.9977  -0.5000   -0.00  0.00   0.00   0.00   
1 1 1 13 13 17 o 27.218  0.2854 27.805  -90.0000  -0.00  -0.15  0.00   0.00   
1 1 1 13 13 18 o 11.274  0.2516 11.239  -0.1000   0.06   0.00   0.00   0.00   
1 1 1 13 13 19 o 5.5045  0.4441 5.1550  -90.0000  0.00   0.09   0.00   0.00   
1 1 1 13 13 20 o 7.3485  0.3565 9.3892  180.000   -0.13  0.00   0.00   0.00   
1 1 1 13 13 21 o 10.807  0.2839 10.900  -90.0000  0.00   0.09   0.00   0.00   
1 1 1 13 13 22 o 16.100  0.2718 16.021  180.000   -0.10  0.00   0.00   0.00   
1 1 1 13 13 23 o 15.146  0.2914 15.215  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 13 13 24 o 9.1542  0.4374 8.0711  -180.0000 0.01   0.00   0.00   0.00   
1 1 1 13 13 25 o 13.907  0.3881 12.561  90.000    0.00   0.50   0.00   0.00   
1 1 1 13 13 26 o 2.8636  1.2388 ?       ?         0.02   0.00   0.00   0.00   
1 1 1 14 0  0  o 32.723  0.3627 2.6261  -0.1000   -0.23  0.00   0.00   0.00   
1 1 1 14 0  1  o 27.577  0.1998 49.150  135.000   -0.01  0.01   0.00   0.00   
1 1 1 14 0  2  o 12.385  0.1318 1.1492  92.000    -0.00  -0.05  0.00   0.00   
1 1 1 14 0  3  o 17.390  0.1708 0.9463  44.900    0.08   0.08   0.00   0.00   
1 1 1 14 0  4  o 4.7434  0.1630 34.412  -180.0000 0.00   0.00   0.00   0.00   
1 1 1 14 0  5  o 45.519  0.2849 61.695  135.000   -0.01  0.01   0.00   0.00   
1 1 1 14 0  6  o 108.805 0.6296 86.537  90.000    0.00   0.01   0.00   0.00   
1 1 1 14 0  7  o 137.109 0.7652 120.532 -135.0000 -0.34  -0.34  0.00   0.00   
1 1 1 14 0  8  o 42.424  0.3182 49.776  -0.0000   0.18   0.00   0.00   0.00   
1 1 1 14 0  9  o 13.612  0.1848 15.739  135.100   0.03   -0.03  0.00   0.00   
1 1 1 14 0  10 o 35.901  0.2970 51.041  90.000    0.00   0.06   0.00   0.00   
1 1 1 14 0  11 o 41.271  0.2816 21.784  -134.9000 -0.08  -0.08  0.00   0.00   
1 1 1 14 0  12 o 31.482  0.2490 35.103  -180.0000 0.21   0.00   0.00   0.00   
1 1 1 14 0  13 o 14.509  0.1804 9.5438  -45.1000  -0.11  0.11   0.00   0.00   
1 1 1 14 0  14 o 7.1833  0.2811 9.7578  90.100    0.00   0.05   0.00   0.00   
1 1 1 14 0  15 o 44.980  0.3047 42.180  45.000    0.01   0.01   0.00   0.00   
1 1 1 14 0  16 o 37.945  0.2617 36.997  -180.0000 -0.19  0.00   0.00   0.00   
1 1 1 14 0  17 o 20.057  0.1999 21.383  135.000   0.06   -0.06  0.00   0.00   
1 1 1 14 0  18 o 27.074  0.2416 21.552  -90.0000  -0.00  -0.65  0.00   0.00   
1 1 1 14 0  19 o 8.7178  0.3100 5.7383  45.000    -0.01  -0.01  0.00   0.00   
1 1 1 14 0  20 o 3.5496  0.5648 5.8266  -180.0000 -0.04  0.00   0.00   0.00   
1 1 1 14 0  21 o 10.640  0.3059 9.8123  135.000   0.01   -0.01  0.00   0.00   
1 1 1 14 0  22 o 6.4031  0.4376 5.9004  90.000    0.00   0.14   0.00   0.00   
1 1 1 14 0  23 o 7.1063  0.4305 6.1338  45.000    -0.05  -0.05  0.00   0.00   
1 1 1 14 0  24 o 22.707  0.2720 20.428  180.000   -0.73  0.00   0.00   0.00   
1 1 1 14 0  25 o 9.0333  0.5175 8.9047  135.000   -0.28  0.28   0.00   0.00   
1 1 1 14 0  26 o 17.433  0.3569 17.719  90.000    0.00   0.49   0.00   0.00   
1 1 1 14 1  0  o 27.646  0.1975 31.297  -180.0000 -0.14  0.00   0.00   0.00   
1 1 1 14 1  1  o 38.215  1.4467 51.112  -133.8000 -17.53 4.35   -4.46  1.74   
1 1 1 14 1  2  o 30.289  0.3431 50.551  -131.2000 -3.13  1.37   -2.66  1.28   
1 1 1 14 1  3  o 54.416  0.3065 44.962  122.400   1.27   0.71   0.16   -0.64  
1 1 1 14 1  4  o 40.053  0.2075 22.040  85.000    0.42   0.29   -2.08  1.31   
1 1 1 14 1  5  o 59.736  0.2673 77.797  51.800    -1.01  -0.52  -1.29  -0.15  
1 1 1 14 1  6  o 76.284  0.5072 75.152  -39.7000  0.97   -0.56  -0.10  0.10   
1 1 1 14 1  7  o 95.355  0.3905 97.058  -175.5000 -1.32  0.78   0.04   0.71   
1 1 1 14 1  8  o 20.645  0.2097 6.4505  152.300   -1.62  0.84   -0.55  0.67   
1 1 1 14 1  9  o 21.320  0.2679 21.667  -70.6000  -2.60  -0.95  -0.82  -0.61  
1 1 1 14 1  10 o 37.896  0.5528 25.509  -155.1000 -7.64  -1.16  -1.93  -0.45  
1 1 1 14 1  11 o 49.342  0.2925 46.051  52.900    2.02   -0.11  -0.54  0.28   
1 1 1 14 1  12 o 39.708  1.1465 40.626  132.500   -4.37  13.26  1.52   0.94   
1 1 1 14 1  13 o 31.641  0.2965 30.685  -29.5000  1.61   0.10   -0.39  0.07   
1 1 1 14 1  14 o 27.828  0.1802 36.849  -121.4000 -0.81  0.24   -0.56  -0.06  
1 1 1 14 1  15 o 29.061  0.4800 28.974  -27.8000  3.30   -0.91  -0.42  0.19   
1 1 1 14 1  16 o 12.911  0.4470 14.717  153.100   -3.68  -3.90  -0.02  -1.36  
1 1 1 14 1  17 o 9.4922  0.1748 8.9944  -149.7000 -0.48  -0.37  -0.06  -0.11  
1 1 1 14 1  18 o 18.677  0.3107 12.421  87.400    2.67   0.62   -0.80  -0.12  
1 1 1 14 1  19 o 16.600  0.2051 16.367  174.300   -1.24  0.25   -0.32  -0.01  
1 1 1 14 1  20 o 8.1147  0.3182 8.5519  13.900    -0.43  -0.22  -0.01  -0.04  
1 1 1 14 1  21 o 18.135  0.1687 17.909  65.000    -0.47  0.08   0.04   0.14   
1 1 1 14 1  22 o 20.439  0.3384 20.771  34.600    1.43   0.76   0.10   -0.26  
1 1 1 14 1  23 o 8.7348  0.4506 8.3994  79.600    0.15   -0.70  0.04   -0.00  
1 1 1 14 1  24 o 9.2662  0.3505 7.1824  43.300    2.69   1.28   -1.01  -0.18  
1 1 1 14 1  25 o 8.1191  0.3591 9.3522  -159.5000 -0.01  0.54   -0.15  -0.08  
1 1 1 14 1  26 o 7.6070  0.5924 6.9946  71.700    -0.11  1.13   0.07   -0.06  
1 1 1 14 2  0  o 81.845  0.4828 102.448 -180.0000 -0.66  0.00   0.00   0.00   
1 1 1 14 2  1  o 41.056  0.2025 48.717  168.600   0.43   -0.99  1.51   -0.93  
1 1 1 14 2  2  o 38.902  0.6404 37.926  -98.1000  0.09   -2.34  0.39   -0.07  
1 1 1 14 2  3  o 29.298  0.3343 16.553  -178.0000 -1.11  -1.11  -0.21  -0.59  
1 1 1 14 2  4  o 15.225  0.2346 26.193  13.200    1.35   0.07   -0.65  0.00   
1 1 1 14 2  5  o 60.442  0.7206 66.944  116.500   2.86   5.45   0.80   -1.79  
1 1 1 14 2  6  o 88.487  0.4528 92.095  -82.2000  -0.73  -1.11  0.19   -0.20  
1 1 1 14 2  7  o 30.402  0.1629 42.804  26.200    0.40   -1.90  4.03   0.82   
1 1 1 14 2  8  o 51.639  0.5315 55.120  -123.2000 -3.47  -5.00  0.54   -1.98  
1 1 1 14 2  9  o 84.275  0.6158 93.869  98.600    -0.05  1.99   0.23   0.07   
1 1 1 14 2  10 o 21.815  0.1917 27.556  162.200   -0.82  2.14   0.87   0.66   
1 1 1 14 2  11 o 53.462  0.2489 47.546  -130.5000 0.15   -0.68  0.08   0.24   
1 1 1 14 2  12 o 47.970  0.2333 43.352  -110.8000 0.18   0.30   -0.01  0.40   
1 1 1 14 2  13 o 29.363  0.4813 21.968  110.500   0.36   3.03   0.56   -0.03  
1 1 1 14 2  14 o 14.005  0.1370 14.251  -105.5000 -0.18  -0.07  -0.04  -0.02  
1 1 1 14 2  15 o 19.315  0.3195 8.0861  103.600   3.46   1.77   -0.94  -1.00  
1 1 1 14 2  16 o 49.503  0.4224 50.123  5.1000    2.94   0.26   -0.60  0.15   
1 1 1 14 2  17 o 36.571  0.6951 38.142  154.200   -0.26  9.42   2.18   -0.40  
1 1 1 14 2  18 o 12.086  0.3586 13.356  123.200   -2.14  0.58   -0.39  0.14   
1 1 1 14 2  19 o 28.939  0.1733 29.417  119.900   -0.19  0.10   0.03   0.02   
1 1 1 14 2  20 o 11.812  0.1734 14.835  101.900   -0.19  0.24   0.16   -0.05  
1 1 1 14 2  21 o 9.3766  0.2257 9.5169  -43.7000  0.05   -0.07  -0.01  0.00   
1 1 1 14 2  22 o 6.0288  0.3642 7.1963  168.800   0.19   -0.50  0.06   0.01   
1 1 1 14 2  23 o 9.0257  0.2706 10.716  -14.4000  0.12   -0.80  0.12   -0.06  
1 1 1 14 2  24 o 12.832  0.2064 12.148  -4.8000   -0.68  -0.59  0.33   0.10   
1 1 1 14 2  25 o 4.8979  1.5405 5.3524  79.200    -0.14  1.80   0.11   0.05   
1 1 1 14 2  26 o 10.112  0.4032 11.567  14.800    0.34   0.06   0.03   -0.00  
1 1 1 14 3  0  o 30.681  0.2152 43.618  180.000   0.25   0.00   0.00   0.00   
1 1 1 14 3  1  o 71.104  0.7769 84.869  87.900    1.08   4.86   0.90   -1.17  
1 1 1 14 3  2  o 26.747  0.5821 26.263  36.600    2.36   1.17   -0.44  -0.39  
1 1 1 14 3  3  o 39.122  0.5715 23.380  65.200    1.45   0.79   -0.07  -0.24  
1 1 1 14 3  4  o 45.061  0.2445 37.771  -67.7000  -0.12  -0.74  0.17   -0.14  
1 1 1 14 3  5  o 50.123  0.8381 50.810  2.3000    5.38   -2.96  -0.58  1.23   
1 1 1 14 3  6  o 48.393  0.6049 50.753  -130.3000 -3.75  -3.69  -0.20  -1.69  
1 1 1 14 3  7  o 59.535  0.2564 50.456  -84.3000  -0.25  -0.47  0.91   -0.07  
1 1 1 14 3  8  o 52.950  0.3271 51.634  -122.6000 2.26   -4.01  1.18   2.88   
1 1 1 14 3  9  o 56.446  0.2911 52.963  -67.1000  2.04   0.57   -0.58  -0.56  
1 1 1 14 3  10 o 43.746  0.2871 40.687  7.2000    -0.32  2.84   1.21   0.04   
1 1 1 14 3  11 o 14.391  0.2328 9.0404  30.000    0.58   1.08   0.11   -0.21  
1 1 1 14 3  12 o 24.072  0.3893 19.546  99.200    -1.31  2.33   0.18   0.39   
1 1 1 14 3  13 o 15.195  0.4893 19.995  -76.6000  -1.73  -4.94  0.97   -0.91  
1 1 1 14 3  14 o 16.753  0.1276 16.320  70.300    -0.40  0.30   -0.66  0.39   
1 1 1 14 3  15 o 34.555  0.1901 31.855  -38.3000  0.26   -0.73  0.82   -0.25  
1 1 1 14 3  16 o 20.886  0.3712 20.805  -163.5000 -1.28  1.63   0.03   0.30   
1 1 1 14 3  17 o 29.647  0.1916 27.760  -24.8000  0.52   0.19   -0.08  -0.01  
1 1 1 14 3  18 o 7.7181  0.4013 10.045  -111.2000 -1.88  -0.98  -0.25  -0.28  
1 1 1 14 3  19 o 6.5965  0.2545 3.2221  154.400   -0.26  -0.14  -0.00  -0.10  
1 1 1 14 3  20 o 15.661  0.4664 13.313  148.600   -3.45  -1.04  -0.43  -0.57  
1 1 1 14 3  21 o 9.5432  0.2196 3.8602  -126.5000 -0.43  0.31   0.04   0.11   
1 1 1 14 3  22 o 7.0450  0.3019 7.1983  41.700    -0.24  0.26   0.02   0.02   
1 1 1 14 3  23 o 7.9651  0.2805 5.7295  -86.8000  0.60   -0.11  0.08   0.29   
1 1 1 14 3  24 o 10.168  0.2707 10.376  -120.3000 0.58   -0.00  0.03   -0.15  
1 1 1 14 3  25 o 15.764  0.3706 17.102  -43.7000  0.93   -0.01  -0.01  0.07   
1 1 1 14 3  26 o 12.767  0.4980 ?       ?         0.87   -1.75  0.26   -0.12  
1 1 1 14 4  0  f 50.716  0.3165 46.264  0.0000    0.75   0.00   0.00   0.00   
1 1 1 14 4  1  o 32.948  0.5087 25.916  50.900    0.61   0.36   -0.01  -0.05  
1 1 1 14 4  2  o 37.620  1.2349 31.682  -84.5000  3.10   -5.16  0.41   0.57   
1 1 1 14 4  3  o 44.384  0.7251 33.277  -132.1000 -2.90  -1.74  -0.46  -0.48  
1 1 1 14 4  4  o 44.946  0.3545 39.080  38.100    1.02   0.27   -0.20  -0.06  
1 1 1 14 4  5  o 116.133 0.4679 110.165 -179.3000 -0.67  0.71   -0.19  0.13   
1 1 1 14 4  6  o 60.831  0.7869 38.275  -135.6000 -1.86  -6.27  1.56   -0.78  
1 1 1 14 4  7  o 32.324  0.7063 43.267  -163.9000 -10.61 2.36   -2.52  1.08   
1 1 1 14 4  8  o 102.406 0.4313 94.109  -110.8000 0.12   -1.85  0.50   2.52   
1 1 1 14 4  9  o 46.355  0.2259 48.307  40.800    -0.24  0.19   0.18   0.29   
1 1 1 14 4  10 f 23.283  0.3505 28.208  -97.2000  -1.85  -3.66  0.69   -1.15  
1 1 1 14 4  11 o 53.578  0.3711 50.047  -100.1000 1.94   -5.19  1.49   2.78   
1 1 1 14 4  12 f 42.145  0.2301 43.591  75.700    2.14   0.02   -0.89  0.35   
1 1 1 14 4  13 o 22.144  0.1669 17.490  -35.6000  0.01   -0.04  0.00   -0.00  
1 1 1 14 4  14 o 23.521  0.4397 18.864  21.400    0.45   0.02   -0.01  -0.00  
1 1 1 14 4  15 o 15.299  0.1518 14.092  -177.3000 0.17   0.22   1.64   0.92   
1 1 1 14 4  16 o 7.4442  0.2922 3.2770  171.200   -1.01  0.25   -0.14  0.06   
1 1 1 14 4  17 o 11.736  0.3049 9.7114  -129.6000 0.49   0.73   0.04   -0.07  
1 1 1 14 4  18 o 16.759  0.1616 17.072  164.200   -0.32  0.18   -0.07  0.03   
1 1 1 14 4  19 o 20.751  0.1645 23.182  -146.8000 -0.20  0.06   -0.02  -0.07  
1 1 1 14 4  20 o 5.1319  0.2963 6.3606  30.200    -0.45  -0.66  -0.00  -0.27  
1 1 1 14 4  21 o 10.569  0.2265 9.0840  -86.1000  -0.01  0.20   0.01   -0.01  
1 1 1 14 4  22 o 8.7462  0.2840 11.344  76.900    0.13   0.76   0.12   0.04   
1 1 1 14 4  23 f 16.617  0.4557 14.000  -147.2000 -2.41  1.14   -0.02  0.42   
1 1 1 14 4  24 o 11.469  0.3590 9.1863  75.700    0.59   3.06   0.88   0.38   
1 1 1 14 4  25 o 16.959  0.2926 16.960  123.800   0.20   1.66   -0.10  -0.25  
1 1 1 14 4  26 o 12.030  0.3220 ?       ?         0.09   -0.26  0.00   -0.01  
1 1 1 14 5  0  o 41.411  0.2616 37.598  -180.0000 -0.21  0.00   0.00   0.00   
1 1 1 14 5  1  o 14.197  0.1942 17.163  23.800    0.16   0.37   0.10   -0.06  
1 1 1 14 5  2  o 57.602  0.2470 57.544  13.100    0.52   0.23   0.41   -0.11  
1 1 1 14 5  3  o 47.399  0.8563 66.342  57.300    3.07   3.31   0.13   -0.66  
1 1 1 14 5  4  o 37.545  0.7626 44.596  174.300   -4.71  -0.70  -0.87  -0.18  
1 1 1 14 5  5  o 87.775  0.3681 103.770 -134.1000 -0.04  -0.12  -0.03  0.00   
1 1 1 14 5  6  o 132.258 0.5253 129.357 -104.7000 0.27   -0.46  -0.02  0.06   
1 1 1 14 5  7  o 46.712  0.5625 36.479  -135.0000 -4.23  -0.84  -0.73  -0.37  
1 1 1 14 5  8  o 82.211  0.3398 69.453  -52.9000  2.48   -0.31  -1.37  -0.26  
1 1 1 14 5  9  o 53.754  0.8610 37.060  -141.4000 -2.91  -4.50  0.24   -0.44  
1 1 1 14 5  10 o 16.597  0.2673 16.583  -62.3000  1.23   0.12   -0.22  -0.07  
1 1 1 14 5  11 o 21.905  0.4595 11.190  35.300    1.38   3.21   0.35   -0.43  
1 1 1 14 5  12 o 27.662  0.6343 22.737  -86.0000  3.39   -8.10  1.61   1.35   
1 1 1 14 5  13 o 58.284  0.2651 46.307  -51.8000  0.12   0.21   -0.07  0.03   
1 1 1 14 5  14 o 21.388  0.1630 20.326  81.600    -0.06  0.33   0.05   -0.00  
1 1 1 14 5  15 o 29.528  0.4891 23.836  -98.9000  -1.68  -4.01  0.51   -0.78  
1 1 1 14 5  16 o 17.080  0.2138 23.668  98.700    0.43   1.27   0.61   -3.28  
1 1 1 14 5  17 o 10.534  0.6551 11.035  -168.0000 -5.65  -0.71  -0.74  -0.14  
1 1 1 14 5  18 o 35.083  0.2121 33.921  -68.3000  0.12   0.58   -0.05  -0.16  
1 1 1 14 5  19 o 19.025  0.1555 20.267  -71.6000  -0.62  -0.21  -0.03  -0.20  
1 1 1 14 5  20 o 8.7899  0.2244 4.0306  -179.8000 0.59   -1.49  0.73   0.20   
1 1 1 14 5  21 f 10.816  0.1989 10.888  -74.0000  -0.10  -0.20  -0.09  0.16   
1 1 1 14 5  22 o 9.9596  0.2262 5.5019  133.000   0.27   -0.46  0.24   -0.21  
1 1 1 14 5  23 o 10.286  0.2402 10.219  -120.6000 -0.54  -2.05  0.97   0.37   
1 1 1 14 5  24 o 11.650  0.2369 13.135  151.700   -0.48  -0.94  0.14   0.59   
1 1 1 14 5  25 o 12.258  0.2656 10.728  65.100    -0.06  -0.11  -0.00  0.00   
1 1 1 14 5  26 o 8.2748  0.4546 ?       ?         0.70   0.39   0.07   -0.01  
1 1 1 14 6  0  o 46.573  0.2913 36.377  -0.0000   0.10   0.00   0.00   0.00   
1 1 1 14 6  1  o 44.013  0.6432 48.954  90.200    0.21   3.24   0.71   -0.33  
1 1 1 14 6  2  o 39.360  0.3547 54.101  150.700   -1.15  -0.06  -0.25  -0.16  
1 1 1 14 6  3  o 31.850  0.9346 28.678  -168.6000 -10.28 11.29  0.85   5.52   
1 1 1 14 6  4  o 28.162  0.6593 20.916  -164.0000 -2.90  -4.70  0.55   -1.34  
1 1 1 14 6  5  o 33.652  1.1306 34.799  -135.0000 -0.31  -13.46 2.70   -0.03  
1 1 1 14 6  6  o 65.410  0.2887 70.397  68.700    -0.22  0.06   0.35   0.20   
1 1 1 14 6  7  o 26.068  0.7642 19.809  -41.9000  18.21  -5.85  -5.46  4.10   
1 1 1 14 6  8  o 11.140  0.1575 10.213  167.600   0.28   0.36   -0.29  -2.87  
1 1 1 14 6  9  o 26.550  0.1468 36.061  -36.2000  0.19   0.04   1.63   -0.81  
1 1 1 14 6  10 o 40.835  0.2078 47.535  39.400    0.01   0.80   0.69   1.11   
1 1 1 14 6  11 o 33.741  0.4139 37.986  -80.0000  1.95   0.16   -0.23  -0.00  
1 1 1 14 6  12 o 57.611  0.5454 52.132  2.2000    -0.27  -1.18  0.07   -0.01  
1 1 1 14 6  13 o 39.428  0.3334 55.523  -108.2000 -1.29  1.22   0.08   0.32   
1 1 1 14 6  14 o 24.075  0.4743 21.434  -67.6000  0.52   -2.43  0.28   0.18   
1 1 1 14 6  15 o 27.784  0.1829 30.190  -112.4000 -1.52  0.36   -0.49  0.71   
1 1 1 14 6  16 o 27.750  0.2912 23.567  -149.6000 -1.79  1.04   -0.12  0.46   
1 1 1 14 6  17 o 12.925  0.1683 12.299  93.100    0.92   -0.55  -0.09  0.70   
1 1 1 14 6  18 o 9.7569  0.3379 8.3160  160.000   -2.43  0.62   -0.63  0.22   
1 1 1 14 6  19 o 15.977  0.3514 15.365  -145.1000 -1.34  -4.07  0.81   -1.00  
1 1 1 14 6  20 o 10.533  0.1998 9.9938  18.100    0.24   0.59   0.46   0.87   
1 1 1 14 6  21 o 7.9769  0.2591 5.0813  -97.2000  -0.09  -0.05  0.03   -0.02  
1 1 1 14 6  22 o 9.1500  0.2468 11.968  115.600   -0.08  -0.05  0.01   -0.00  
1 1 1 14 6  23 o 6.1272  0.5794 5.0018  71.500    -2.30  -1.24  -0.10  -0.45  
1 1 1 14 6  24 o 7.5973  0.3204 7.7351  69.300    -0.06  1.45   0.22   0.26   
1 1 1 14 6  25 o 9.6411  0.6747 7.8030  145.000   -3.18  1.45   0.01   0.60   
1 1 1 14 6  26 o 5.0036  0.5700 ?       ?         -0.25  -0.02  0.00   -0.01  
1 1 1 14 7  0  o 23.977  0.1739 11.865  -0.1000   0.16   0.00   0.00   0.00   
1 1 1 14 7  1  o 77.558  2.0823 54.211  -45.7000  0.02   -16.79 2.54   -0.54  
1 1 1 14 7  2  o 108.834 0.4379 97.993  -15.6000  0.11   -0.59  -0.38  0.08   
1 1 1 14 7  3  o 75.892  0.3131 81.482  -175.1000 -0.15  -0.31  0.08   0.32   
1 1 1 14 7  4  o 12.191  0.4791 17.775  99.800    -6.35  1.39   -3.15  1.61   
1 1 1 14 7  5  o 53.650  0.5863 30.497  -85.5000  3.38   -2.94  -0.43  1.50   
1 1 1 14 7  6  o 54.483  0.7743 62.325  113.800   -1.03  4.06   0.57   0.38   
1 1 1 14 7  7  o 43.358  0.1962 56.748  46.900    -0.60  1.23   0.68   1.99   
1 1 1 14 7  8  o 21.885  0.4883 30.922  -74.2000  -6.33  -3.51  -1.05  -1.81  
1 1 1 14 7  9  o 28.935  0.3206 32.028  123.800   -4.74  -1.44  -1.61  -1.28  
1 1 1 14 7  10 o 38.066  0.5506 32.315  46.800    7.03   1.43   -2.05  -0.57  
1 1 1 14 7  11 o 28.795  0.2816 36.428  -51.9000  4.03   -0.76  -1.83  1.14   
1 1 1 14 7  12 o 36.317  0.1954 28.737  20.800    0.77   1.61   0.96   -0.47  
1 1 1 14 7  13 o 13.764  0.2805 13.643  122.400   -3.47  -0.48  -1.37  -0.54  
1 1 1 14 7  14 o 35.365  0.1956 37.444  -177.1000 -0.56  0.10   -0.08  0.19   
1 1 1 14 7  15 o 25.201  0.1600 31.853  23.500    -0.68  -0.31  -0.58  -0.03  
1 1 1 14 7  16 o 24.838  0.1610 27.206  19.500    0.33   0.81   0.08   -0.35  
1 1 1 14 7  17 o 36.532  0.4605 39.184  -175.2000 -5.73  -1.69  -1.75  -0.44  
1 1 1 14 7  18 o 5.3489  0.6865 4.3371  170.600   -5.03  -0.41  -1.01  -0.10  
1 1 1 14 7  19 o 22.498  0.1921 22.178  -166.4000 -0.96  -1.63  1.00   -0.27  
1 1 1 14 7  20 o 9.0944  0.7526 9.2791  13.700    6.72   2.82   -0.97  -0.75  
1 1 1 14 7  21 o 10.817  0.2947 10.069  72.600    0.10   0.97   0.12   0.02   
1 1 1 14 7  22 o 5.6601  0.3617 4.1867  -23.5000  -1.10  0.12   -0.23  -0.06  
1 1 1 14 7  23 o 7.3862  0.2923 6.9887  92.500    -0.14  -0.02  -0.00  0.02   
1 1 1 14 7  24 o 11.303  0.2290 10.618  -79.3000  -0.02  -0.74  0.03   -0.12  
1 1 1 14 7  25 o 5.0890  0.9203 5.5805  77.300    0.11   -1.71  0.15   -0.06  
1 1 1 14 7  26 o 19.945  0.5252 ?       ?         -0.12  2.52   -0.02  -0.19  
1 1 1 14 8  0  o 7.3824  0.1199 18.792  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 14 8  1  o 66.148  0.3305 55.710  139.200   1.72   3.12   0.29   -3.16  
1 1 1 14 8  2  o 55.738  0.9790 64.875  -98.6000  -9.37  -2.62  -2.26  -1.02  
1 1 1 14 8  3  o 87.114  0.9497 82.416  26.700    1.89   3.52   0.20   -0.61  
1 1 1 14 8  4  o 116.431 0.4664 97.977  -111.0000 -0.35  -0.64  0.18   0.34   
1 1 1 14 8  5  o 117.140 0.4709 108.180 -68.0000  2.90   -1.12  -2.28  0.08   
1 1 1 14 8  6  o 22.680  0.1676 18.292  -142.2000 -0.22  0.12   -0.04  0.13   
1 1 1 14 8  7  o 30.901  0.1958 30.135  -24.2000  -0.26  -0.13  0.46   -1.39  
1 1 1 14 8  8  o 47.528  0.2564 27.955  39.000    -1.58  3.02   1.42   4.17   
1 1 1 14 8  9  o 16.355  0.1304 11.611  -144.5000 -0.34  1.20   0.81   0.38   
1 1 1 14 8  10 o 36.108  0.7732 40.265  -6.5000   11.40  -3.40  -2.16  1.68   
1 1 1 14 8  11 f 28.702  0.2031 25.404  -31.8000  2.81   2.33   0.27   -3.39  
1 1 1 14 8  12 o 20.585  0.1453 20.162  119.300   -0.62  0.66   0.18   0.40   
1 1 1 14 8  13 o 41.345  0.8318 42.087  10.400    7.03   -3.31  -0.56  0.90   
1 1 1 14 8  14 o 26.275  0.2801 27.942  43.000    0.41   1.08   0.19   -0.09  
1 1 1 14 8  15 o 37.331  0.2023 30.969  36.500    0.08   0.15   0.03   0.04   
1 1 1 14 8  16 o 6.2556  0.2324 10.972  -116.6000 -0.73  -0.97  0.08   -0.80  
1 1 1 14 8  17 o 20.804  0.4625 14.826  -176.2000 -5.44  4.05   -0.76  1.58   
1 1 1 14 8  18 o 13.754  0.2127 10.001  -162.6000 -0.83  -1.08  0.24   -0.34  
1 1 1 14 8  19 o 14.571  0.1616 12.823  -125.1000 0.19   -0.16  -0.12  -0.12  
1 1 1 14 8  20 o 14.128  0.1986 10.782  105.300   -0.24  1.42   0.49   -0.16  
1 1 1 14 8  21 o 9.4435  0.2815 11.003  75.000    1.73   1.23   0.01   -0.65  
1 1 1 14 8  22 o 17.231  0.1883 17.653  19.900    0.43   0.52   -0.20  0.02   
1 1 1 14 8  23 o 11.289  0.2111 11.363  -134.0000 0.10   0.10   0.01   -0.00  
1 1 1 14 8  24 o 10.976  0.2720 11.333  124.100   0.11   0.24   0.01   0.00   
1 1 1 14 8  25 o 6.0952  0.4158 6.6725  51.300    0.10   0.60   0.01   -0.07  
1 1 1 14 8  26 o 6.5518  0.6174 ?       ?         0.25   0.11   0.01   -0.00  
1 1 1 14 9  0  o 98.090  0.6658 98.395  0.0000    -0.46  0.00   0.00   0.00   
1 1 1 14 9  1  o 13.921  0.5820 9.0839  176.100   -0.67  -4.22  0.95   -0.35  
1 1 1 14 9  2  o 23.099  0.1300 35.028  -108.3000 0.91   0.06   -2.15  0.71   
1 1 1 14 9  3  o 31.086  0.2778 32.953  -135.5000 -1.62  0.08   -0.79  -0.09  
1 1 1 14 9  4  o 26.540  0.6557 19.799  93.900    -2.94  5.79   0.98   1.46   
1 1 1 14 9  5  o 23.318  0.1571 20.144  5.6000    -0.19  -0.06  -0.95  0.35   
1 1 1 14 9  6  o 104.957 0.5160 92.636  -33.5000  0.93   -0.78  0.04   0.16   
1 1 1 14 9  7  o 76.142  0.3376 59.348  -55.8000  1.91   1.06   0.58   -4.15  
1 1 1 14 9  8  o 60.459  0.2632 72.925  109.300   -1.10  -0.14  -0.28  -0.17  
1 1 1 14 9  9  o 60.562  0.3679 64.590  -32.9000  1.88   1.65   -0.30  -0.68  
1 1 1 14 9  10 o 34.226  0.7910 30.967  151.200   -10.45 2.22   -1.82  0.98   
1 1 1 14 9  11 o 12.956  0.3800 11.892  144.100   2.61   6.17   2.10   -2.47  
1 1 1 14 9  12 o 29.485  0.1768 40.320  -1.1000   0.10   0.31   0.17   0.08   
1 1 1 14 9  13 o 20.265  0.1855 22.137  -39.4000  0.71   0.50   0.32   -1.14  
1 1 1 14 9  14 o 35.788  0.4029 29.146  40.200    2.29   0.71   -0.31  -0.13  
1 1 1 14 9  15 o 10.831  0.6228 8.4377  -139.2000 2.84   -1.41  -0.16  0.24   
1 1 1 14 9  16 o 10.120  0.3371 15.727  -101.1000 -4.30  -1.02  -1.87  -0.68  
1 1 1 14 9  17 o 25.012  0.6125 27.729  64.400    -1.00  9.51   1.93   0.14   
1 1 1 14 9  18 o 18.353  0.1833 20.387  98.300    0.53   0.23   -0.29  0.06   
1 1 1 14 9  19 o 15.750  0.1651 12.203  5.6000    -0.26  -0.50  0.11   -0.03  
1 1 1 14 9  20 o 11.418  0.1849 11.308  79.000    0.04   -0.16  -0.01  0.04   
1 1 1 14 9  21 o 12.871  0.3852 14.509  -90.8000  -1.35  -3.79  0.62   -1.00  
1 1 1 14 9  22 o 9.0346  0.4745 5.7566  42.100    1.71   0.93   -0.05  -0.25  
1 1 1 14 9  23 o 6.8904  0.3334 7.3146  90.000    -0.26  0.28   -0.05  0.04   
1 1 1 14 9  24 f 6.1498  0.3874 5.9718  69.300    -0.79  0.33   -0.19  -0.06  
1 1 1 14 9  25 o 6.3969  0.4520 7.8207  74.500    -0.12  0.43   0.01   -0.08  
1 1 1 14 9  26 o 4.6706  0.8224 ?       ?         -0.04  0.04   -0.00  -0.00  
1 1 1 14 10 0  o 15.179  0.1790 1.0568  -177.5000 -0.05  0.00   0.00   0.00   
1 1 1 14 10 1  o 36.900  0.2965 33.089  -44.2000  0.56   -0.87  0.17   0.22   
1 1 1 14 10 2  o 64.707  0.3161 55.673  96.600    2.22   0.76   -1.42  -0.27  
1 1 1 14 10 3  o 77.334  0.5309 81.438  -113.1000 1.99   -3.09  0.24   1.32   
1 1 1 14 10 4  o 20.622  0.3320 33.217  -105.5000 -1.17  -0.78  -0.10  -0.30  
1 1 1 14 10 5  o 21.062  0.5370 2.4287  92.800    -1.24  -2.93  0.44   -0.42  
1 1 1 14 10 6  o 42.105  0.2020 41.063  -14.9000  0.37   0.67   0.61   -0.46  
1 1 1 14 10 7  o 53.320  0.4389 49.588  14.100    3.52   -6.09  2.34   2.98   
1 1 1 14 10 8  o 39.096  0.2097 26.878  -70.9000  1.03   0.18   -0.40  -0.30  
1 1 1 14 10 9  o 55.846  0.2706 57.114  -45.6000  -0.56  -0.65  -1.59  -0.86  
1 1 1 14 10 10 o 50.245  0.4808 51.546  -79.4000  1.65   -4.26  0.64   0.98   
1 1 1 14 10 11 o 33.133  0.3668 34.969  170.800   -0.35  -0.58  0.01   -0.03  
1 1 1 14 10 12 o 15.578  0.5904 10.676  60.100    3.60   9.72   2.74   -2.06  
1 1 1 14 10 13 o 20.753  0.2302 20.740  173.600   -1.36  1.87   0.11   1.00   
1 1 1 14 10 14 o 23.235  0.3428 20.147  -4.7000   1.37   -2.63  0.49   0.52   
1 1 1 14 10 15 o 35.476  0.5566 30.174  -76.0000  3.90   -2.01  -0.56  0.51   
1 1 1 14 10 16 o 20.033  0.1504 15.889  125.600   0.53   0.68   -1.27  -1.17  
1 1 1 14 10 17 f 24.007  0.1562 22.942  138.400   0.60   2.37   1.09   -2.00  
1 1 1 14 10 18 o 16.398  0.2991 14.181  157.000   -0.12  1.14   0.15   -0.01  
1 1 1 14 10 19 o 23.892  0.3687 22.685  9.3000    1.98   1.92   -0.25  -0.46  
1 1 1 14 10 20 o 7.5251  0.2653 6.8580  -27.2000  -0.02  -0.14  0.02   0.02   
1 1 1 14 10 21 o 9.6084  0.2217 9.8271  -46.6000  -0.33  -0.90  0.09   -0.24  
1 1 1 14 10 22 o 8.5341  0.2442 8.0870  -89.8000  0.23   -0.26  -0.09  0.03   
1 1 1 14 10 23 o 9.2203  0.2575 6.3935  -73.4000  0.44   -0.28  0.04   -0.37  
1 1 1 14 10 24 o 4.9703  0.7262 5.8245  -96.2000  -0.74  0.46   -0.00  0.05   
1 1 1 14 10 25 o 3.7393  0.6947 3.6869  87.900    0.26   -0.04  0.01   0.02   
1 1 1 14 10 26 o 10.073  0.7935 ?       ?         -0.20  0.42   -0.00  0.00   
1 1 1 14 11 0  o 36.719  0.3213 29.728  180.000   -0.10  0.00   0.00   0.00   
1 1 1 14 11 1  o 62.938  0.3418 68.945  -6.4000   -0.35  -0.16  0.39   -0.16  
1 1 1 14 11 2  o 63.053  0.6374 66.267  -47.1000  -1.76  -3.76  0.51   -0.99  
1 1 1 14 11 3  o 45.943  0.2082 34.363  135.600   -0.07  -0.03  0.03   -0.05  
1 1 1 14 11 4  o 22.690  0.7876 45.243  110.700   -13.61 6.04   -4.38  4.56   
1 1 1 14 11 5  f 76.894  0.3193 63.229  -102.7000 -1.79  0.66   -0.69  0.28   
1 1 1 14 11 6  o 80.487  0.4522 73.731  -131.3000 0.77   -3.39  0.99   0.85   
1 1 1 14 11 7  o 46.335  0.2189 34.747  -121.9000 0.00   -0.32  0.04   0.01   
1 1 1 14 11 8  o 74.299  0.4177 74.648  -134.1000 2.01   -3.75  0.43   1.76   
1 1 1 14 11 9  o 52.514  1.2095 55.094  35.100    15.17  7.41   -1.55  -2.46  
1 1 1 14 11 10 f 23.158  0.2780 26.475  123.200   -2.23  0.01   -0.57  -0.07  
1 1 1 14 11 11 o 33.280  0.1684 31.282  -109.8000 -0.16  -0.01  -0.04  0.06   
1 1 1 14 11 12 o 47.694  1.0852 44.945  -43.9000  3.90   -5.05  0.05   0.58   
1 1 1 14 11 13 o 13.864  0.1737 13.945  -49.3000  0.11   -0.05  -0.01  0.00   
1 1 1 14 11 14 o 46.680  0.3278 42.314  136.900   -0.29  1.41   0.15   0.16   
1 1 1 14 11 15 o 29.769  0.5126 28.605  165.500   -5.12  2.65   -0.53  1.10   
1 1 1 14 11 16 o 18.207  0.4542 16.982  -35.5000  2.47   -4.99  1.04   1.04   
1 1 1 14 11 17 o 30.701  0.1778 32.937  138.300   0.08   1.03   0.13   -0.96  
1 1 1 14 11 18 o 30.455  0.3395 28.276  81.400    -2.80  0.48   -0.71  -0.14  
1 1 1 14 11 19 o 32.859  0.1934 32.492  145.600   -0.31  0.12   0.04   -0.06  
1 1 1 14 11 20 o 26.644  0.2464 22.610  -118.9000 -2.32  -0.06  -0.48  0.62   
1 1 1 14 11 21 o 19.327  0.3258 22.037  123.400   -1.57  1.34   -0.25  0.27   
1 1 1 14 11 22 o 14.138  0.1857 11.671  -145.4000 -0.01  0.03   -0.00  -0.00  
1 1 1 14 11 23 o 18.016  0.3247 18.591  79.100    -0.32  1.06   -0.02  0.11   
1 1 1 14 11 24 o 10.162  0.2554 10.642  14.400    -0.01  0.85   -0.34  0.17   
1 1 1 14 11 25 o 11.365  0.3289 12.739  -91.5000  0.08   -0.16  0.00   -0.00  
1 1 1 14 11 26 o 12.211  0.4539 ?       ?         1.04   -0.24  0.08   -0.06  
1 1 1 14 12 0  o 9.5864  0.1287 25.095  180.000   0.00   0.00   0.00   0.00   
1 1 1 14 12 1  o 28.089  0.2621 13.102  59.500    -1.28  -1.46  0.00   -1.09  
1 1 1 14 12 2  o 38.858  0.1796 26.067  -3.1000   -0.05  0.19   -0.06  0.42   
1 1 1 14 12 3  f 91.155  1.0929 68.402  19.600    2.12   5.77   0.88   -0.53  
1 1 1 14 12 4  o 110.758 0.4457 99.884  -69.4000  0.32   -0.46  -0.43  -0.54  
1 1 1 14 12 5  o 129.648 0.9511 145.756 60.500    5.37   3.16   -1.37  -1.11  
1 1 1 14 12 6  o 79.110  0.3295 66.031  -50.7000  0.45   -0.09  -0.23  -0.32  
1 1 1 14 12 7  o 35.499  0.1998 25.818  43.300    -0.07  0.42   0.45   1.36   
1 1 1 14 12 8  o 22.018  0.4542 17.883  -117.0000 -2.24  -6.11  1.31   -1.01  
1 1 1 14 12 9  o 49.621  0.3539 58.179  -17.8000  1.12   -4.23  2.14   0.43   
1 1 1 14 12 10 o 19.926  0.1642 26.422  -71.0000  -0.90  -1.31  1.00   -1.29  
1 1 1 14 12 11 o 30.783  0.1949 22.604  30.700    -2.86  2.43   1.04   4.64   
1 1 1 14 12 12 o 34.635  0.1775 41.121  -106.4000 0.27   -0.01  0.01   -0.23  
1 1 1 14 12 13 o 30.996  0.2531 25.237  146.900   -1.25  1.47   0.44   0.66   
1 1 1 14 12 14 o 11.342  0.1651 13.489  121.800   0.11   0.07   -0.01  -0.01  
1 1 1 14 12 15 o 41.367  0.5349 44.922  165.900   -4.54  1.69   -0.89  0.42   
1 1 1 14 12 16 o 8.6711  0.3088 7.2873  -82.9000  0.84   -1.09  0.07   0.19   
1 1 1 14 12 17 o 21.816  0.2451 24.109  168.400   -1.24  0.82   0.03   0.37   
1 1 1 14 12 18 o 19.365  0.1734 15.180  -8.9000   0.68   -0.37  0.10   0.29   
1 1 1 14 12 19 o 17.883  0.2182 17.038  127.300   -0.36  1.43   0.12   0.46   
1 1 1 14 12 20 o 10.246  0.2753 12.218  127.200   0.11   0.70   0.06   -0.05  
1 1 1 14 12 21 o 10.042  0.2143 8.5569  96.800    0.13   -0.26  -0.15  -0.21  
1 1 1 14 12 22 f 9.6458  0.2302 8.6689  114.600   0.63   -0.15  0.14   0.30   
1 1 1 14 12 23 o 11.160  0.2151 10.721  -93.5000  -0.19  -0.89  -0.32  -0.27  
1 1 1 14 12 24 o 8.3959  0.4380 6.9575  116.900   -0.42  0.28   0.01   0.02   
1 1 1 14 12 25 o 6.4857  0.4336 6.0324  51.400    0.46   0.80   -0.30  0.04   
1 1 1 14 12 26 o 8.8351  0.8318 ?       ?         -0.39  -0.00  0.00   -0.01  
1 1 1 14 13 0  f 18.756  0.3609 9.9850  -0.1000   -0.03  0.00   0.00   0.00   
1 1 1 14 13 1  o 29.240  0.6261 35.205  -18.6000  1.98   -0.95  -0.13  0.18   
1 1 1 14 13 2  o 57.350  0.5703 64.352  160.900   -2.62  1.19   -0.43  0.37   
1 1 1 14 13 3  f 59.345  0.7001 65.744  -115.5000 0.13   -6.04  1.76   -0.14  
1 1 1 14 13 4  o 89.624  0.3651 83.853  -52.9000  0.57   -0.40  -0.63  0.04   
1 1 1 14 13 5  o 68.258  0.8332 52.153  166.300   -4.44  3.29   -0.33  0.77   
1 1 1 14 13 6  o 48.453  0.5392 47.758  -51.0000  2.89   -0.91  -0.34  0.19   
1 1 1 14 13 7  o 80.655  0.3367 69.009  167.900   -0.66  0.73   1.45   -1.14  
1 1 1 14 13 8  o 24.604  0.7691 33.815  -118.3000 -8.00  -21.47 5.36   -4.92  
1 1 1 14 13 9  f 48.816  0.3679 46.014  141.700   -4.25  1.00   -1.38  1.28   
1 1 1 14 13 10 o 20.621  0.1495 22.142  126.200   0.68   -0.13  -0.50  -0.00  
1 1 1 14 13 11 o 35.789  0.2207 51.183  -153.2000 0.82   -0.97  -0.12  0.39   
1 1 1 14 13 12 o 30.068  0.5290 24.482  118.900   1.90   9.78   3.47   -2.06  
1 1 1 14 13 13 o 45.145  0.5198 51.207  -59.4000  1.40   -2.82  0.50   0.32   
1 1 1 14 13 14 o 18.480  0.1421 10.841  -76.0000  -0.23  0.33   -0.57  0.45   
1 1 1 14 13 15 o 15.442  0.3428 15.870  -35.8000  2.39   0.14   -0.44  -0.11  
1 1 1 14 13 16 o 26.682  0.2935 26.683  169.800   -3.98  1.74   -1.78  0.93   
1 1 1 14 13 17 o 31.438  0.1787 31.467  -35.2000  0.58   0.24   0.12   -0.19  
1 1 1 14 13 18 o 7.9259  0.2223 6.2855  -67.3000  0.63   0.19   -0.10  -0.03  
1 1 1 14 13 19 o 8.2811  0.2645 6.8127  50.000    -0.43  0.65   -0.19  0.39   
1 1 1 14 13 20 o 21.129  0.3649 17.078  -26.4000  2.63   -3.73  1.27   0.93   
1 1 1 14 13 21 o 9.9223  0.2615 10.710  -169.4000 -0.78  -2.23  0.87   -0.20  
1 1 1 14 13 22 o 9.2336  0.2449 8.7740  -92.7000  0.34   -0.69  -0.06  0.17   
1 1 1 14 13 23 o 14.067  0.2057 15.655  -21.5000  0.25   -0.02  0.02   0.02   
1 1 1 14 13 24 o 11.053  0.3417 10.646  32.400    0.63   -0.03  -0.02  -0.04  
1 1 1 14 13 25 o 10.681  0.3138 11.702  159.100   0.22   0.46   -0.06  -0.00  
1 1 1 14 13 26 o 5.6213  1.3794 ?       ?         -0.13  -0.09  -0.00  0.00   
1 1 1 14 14 0  o 65.929  0.8800 15.997  0.1000    0.17   0.00   0.00   0.00   
1 1 1 14 14 1  f 13.878  0.2373 18.119  90.000    -0.00  -0.04  0.00   0.00   
1 1 1 14 14 2  o 67.984  0.4079 94.701  0.0000    0.07   0.00   0.00   0.00   
1 1 1 14 14 3  o 110.383 0.6382 126.945 -90.0000  -0.00  -0.27  0.00   0.00   
1 1 1 14 14 4  o 30.284  0.2375 3.8450  179.500   0.00   0.00   0.00   0.00   
1 1 1 14 14 5  o 9.8539  0.1647 24.885  90.000    0.00   0.04   0.00   0.00   
1 1 1 14 14 6  f 50.348  0.3099 65.684  180.000   0.02   0.00   0.00   0.00   
1 1 1 14 14 7  o 8.8261  0.2102 8.9487  90.000    0.00   0.04   0.00   0.00   
1 1 1 14 14 8  o 58.078  0.4103 57.587  0.0000    -0.05  0.00   0.00   0.00   
1 1 1 14 14 9  o 42.678  0.3428 32.857  -90.1000  0.00   0.02   0.00   0.00   
1 1 1 14 14 10 o 49.315  0.3363 40.840  0.1000    0.14   0.00   0.00   0.00   
1 1 1 14 14 11 o 5.1769  0.2748 7.4006  90.100    0.00   0.00   0.00   0.00   
1 1 1 14 14 12 o 20.616  0.1994 14.866  179.800   -0.12  0.00   0.00   0.00   
1 1 1 14 14 13 o 8.1976  0.2428 2.6908  -91.1000  -0.00  -0.04  0.00   0.00   
1 1 1 14 14 14 o 13.054  0.2665 17.618  179.800   -0.09  0.00   0.00   0.00   
1 1 1 14 14 15 o 24.700  0.2564 30.773  90.000    -0.00  -0.23  0.00   0.00   
1 1 1 14 14 16 o 17.029  0.2060 15.162  0.1000    -0.11  0.00   0.00   0.00   
1 1 1 14 14 17 o 23.971  0.2232 23.368  90.100    0.00   0.46   0.00   0.00   
1 1 1 14 14 18 o 3.5496  0.4907 1.2831  0.6000    0.01   0.00   0.00   0.00   
1 1 1 14 14 19 o 17.370  0.2413 16.034  -90.0000  -0.00  -0.21  0.00   0.00   
1 1 1 14 14 20 o 19.292  0.2784 23.050  0.0000    0.60   0.00   0.00   0.00   
1 1 1 14 14 21 o 10.387  0.3356 7.6835  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 14 14 22 f 8.5557  0.3587 9.4842  0.0000    0.29   0.00   0.00   0.00   
1 1 1 14 14 23 o 7.6485  0.4383 6.3011  -90.0000  -0.00  -0.01  0.00   0.00   
1 1 1 14 14 24 o 26.507  0.3371 25.619  0.0000    0.32   0.00   0.00   0.00   
1 1 1 14 14 25 o 11.389  0.4434 11.040  -90.0000  -0.00  -0.15  0.00   0.00   
1 1 1 14 14 26 o 20.825  0.6966 ?       ?         -1.66  0.00   0.00   0.00   
1 1 1 15 0  1  o 62.884  0.4116 48.042  45.000    0.05   0.05   0.00   0.00   
1 1 1 15 0  2  o 7.2319  0.1224 5.8123  0.2000    0.04   0.00   0.00   0.00   
1 1 1 15 0  3  o 85.178  0.5175 87.396  135.000   0.27   -0.27  0.00   0.00   
1 1 1 15 0  4  o 39.632  0.3241 23.548  -89.9000  -0.00  -0.42  0.00   0.00   
1 1 1 15 0  5  o 66.961  0.4001 57.259  -135.0000 0.08   0.08   0.00   0.00   
1 1 1 15 0  6  o 145.967 0.8344 122.683 180.000   -0.58  0.00   0.00   0.00   
1 1 1 15 0  7  o 62.966  0.3804 55.464  -45.0000  -0.11  0.11   0.00   0.00   
1 1 1 15 0  8  o 37.255  0.2427 39.559  90.000    0.00   0.04   0.00   0.00   
1 1 1 15 0  9  o 38.854  0.3216 54.718  -134.9000 -0.18  -0.18  0.00   0.00   
1 1 1 15 0  10 o 25.112  0.1975 30.773  0.0000    0.17   0.00   0.00   0.00   
1 1 1 15 0  11 o 11.406  0.2109 16.451  135.000   0.04   -0.04  0.00   0.00   
1 1 1 15 0  12 o 32.630  0.2373 17.617  90.000    0.00   0.20   0.00   0.00   
1 1 1 15 0  13 f 40.853  0.2953 30.048  -134.9000 -0.06  -0.06  0.00   0.00   
1 1 1 15 0  14 o 21.086  0.1973 5.5484  179.900   -0.04  0.00   0.00   0.00   
1 1 1 15 0  15 o 6.3640  0.3425 11.355  134.800   -0.01  0.01   0.00   0.00   
1 1 1 15 0  16 o 13.835  0.2100 13.819  -90.0000  -0.00  -0.01  0.00   0.00   
1 1 1 15 0  17 o 9.8793  0.2372 3.5210  -134.9000 0.08   0.08   0.00   0.00   
1 1 1 15 0  18 o 4.2071  0.4964 1.4469  0.1000    -0.00  0.00   0.00   0.00   
1 1 1 15 0  19 o 10.232  0.2944 4.9755  -44.8000  -0.03  0.03   0.00   0.00   
1 1 1 15 0  20 o 18.828  0.2412 18.389  90.000    0.00   0.21   0.00   0.00   
1 1 1 15 0  21 o 11.189  0.2747 9.9480  45.000    -0.02  -0.02  0.00   0.00   
1 1 1 15 0  22 o 8.6487  0.3604 9.4339  180.000   0.09   0.00   0.00   0.00   
1 1 1 15 0  23 o 12.153  0.2971 12.255  -45.0000  -0.18  0.18   0.00   0.00   
1 1 1 15 0  24 o 3.1623  0.8377 3.5745  90.000    -0.00  -0.06  0.00   0.00   
1 1 1 15 0  25 o 23.240  0.4308 22.566  45.000    -0.21  -0.21  0.00   0.00   
1 1 1 15 0  26 f 7.9561  0.5567 ?       ?         0.27   0.00   0.00   0.00   
1 1 1 15 1  0  o 37.389  0.2787 45.416  179.900   0.35   0.00   0.00   0.00   
1 1 1 15 1  1  o 39.284  0.9752 51.437  -94.1000  0.64   -7.44  1.78   -0.00  
1 1 1 15 1  2  o 44.625  0.2041 38.015  65.900    0.20   0.47   -0.23  -0.29  
1 1 1 15 1  3  f 47.846  1.5991 59.318  -93.5000  8.69   -14.24 1.35   2.28   
1 1 1 15 1  4  o 64.866  0.6842 63.513  21.900    2.72   -0.30  -0.40  0.19   
1 1 1 15 1  5  o 71.441  0.4903 92.760  -67.3000  2.51   -1.59  -0.62  0.78   
1 1 1 15 1  6  o 89.821  0.3812 88.485  -76.7000  0.07   -1.61  0.58   -0.23  
1 1 1 15 1  7  o 52.778  0.2306 66.261  85.900    -0.18  0.61   0.23   0.06   
1 1 1 15 1  8  o 59.825  0.4824 48.671  138.400   -2.54  1.99   -0.07  0.68   
1 1 1 15 1  9  o 49.044  0.3399 29.566  29.200    -2.00  1.21   -0.17  0.55   
1 1 1 15 1  10 o 48.581  0.4788 49.415  -69.5000  1.00   -4.56  1.03   0.76   
1 1 1 15 1  11 o 21.136  0.1492 12.972  107.300   -0.86  0.03   -1.00  -0.37  
1 1 1 15 1  12 o 41.296  1.0226 39.791  58.600    9.18   13.42  0.82   -2.84  
1 1 1 15 1  13 o 36.196  0.2022 37.338  48.900    0.36   -0.05  0.05   0.29   
1 1 1 15 1  14 o 13.764  0.4240 11.573  -165.9000 -1.71  -3.32  0.61   -0.70  
1 1 1 15 1  15 o 15.857  0.1379 15.945  177.700   -0.48  0.08   -0.30  0.79   
1 1 1 15 1  16 o 14.155  0.6397 16.618  -174.9000 -6.39  -4.64  -0.52  -1.34  
1 1 1 15 1  17 o 14.496  0.1648 11.674  -120.7000 0.10   1.21   0.85   0.22   
1 1 1 15 1  18 o 10.372  0.1834 10.197  91.000    0.33   0.07   0.04   -0.51  
1 1 1 15 1  19 o 21.913  0.1544 23.534  -64.2000  0.47   -0.75  0.69   -0.13  
1 1 1 15 1  20 o 21.400  0.3959 18.159  -53.0000  -0.12  -3.84  0.90   -0.62  
1 1 1 15 1  21 o 5.0891  0.3604 4.6507  -125.2000 -0.38  0.15   0.42   0.48   
1 1 1 15 1  22 o 8.8133  0.2464 9.0194  11.100    0.55   -0.07  -0.05  0.10   
1 1 1 15 1  23 o 13.693  0.2028 13.401  63.700    -0.33  -0.03  -0.01  -0.02  
1 1 1 15 1  24 o 10.520  0.2371 11.219  -164.7000 -0.16  0.71   -0.37  0.08   
1 1 1 15 1  25 o 6.9430  0.4506 7.2717  -36.4000  -0.46  -1.29  -0.10  -0.28  
1 1 1 15 1  26 o 7.8977  0.5868 ?       ?         0.01   0.67   0.01   -0.03  
1 1 1 15 2  0  o 59.479  0.3659 36.416  0.0000    -0.18  0.00   0.00   0.00   
1 1 1 15 2  1  o 28.508  0.2045 25.609  46.900    -0.02  -0.01  -0.00  -0.00  
1 1 1 15 2  2  o 12.958  0.3782 3.3242  -46.7000  1.22   0.00   -0.28  0.04   
1 1 1 15 2  3  o 35.298  0.4376 57.350  -105.4000 2.13   -2.73  0.14   1.41   
1 1 1 15 2  4  o 51.324  0.7646 17.273  141.600   -0.69  0.95   0.02   0.05   
1 1 1 15 2  5  o 35.550  0.5768 7.5082  -117.2000 -2.69  -0.60  -0.47  -0.18  
1 1 1 15 2  6  o 112.378 0.5063 110.551 -119.1000 -2.33  -0.01  -0.72  0.40   
1 1 1 15 2  7  o 79.555  0.3294 79.208  132.400   -0.42  0.37   -0.55  0.22   
1 1 1 15 2  8  f 50.102  0.4619 54.195  -5.9000   2.70   0.20   -0.45  -0.12  
1 1 1 15 2  9  o 22.971  0.2950 20.666  140.300   -5.48  -4.11  -0.90  -4.01  
1 1 1 15 2  10 o 22.134  0.5910 30.931  -21.9000  2.97   -9.16  2.11   1.37   
1 1 1 15 2  11 o 7.1806  0.1652 9.3606  52.100    0.03   0.11   0.21   0.01   
1 1 1 15 2  12 o 44.416  0.2453 48.013  -156.2000 -0.44  0.79   0.02   0.16   
1 1 1 15 2  13 f 46.916  0.2236 58.960  152.500   -0.33  -0.25  0.33   0.03   
1 1 1 15 2  14 o 36.996  0.5882 28.094  -43.6000  3.62   3.36   -0.29  -0.98  
1 1 1 15 2  15 o 34.986  0.1801 39.754  171.600   0.81   -0.38  -0.01  0.30   
1 1 1 15 2  16 o 31.346  0.1860 30.110  33.700    1.52   1.43   -0.64  -1.07  
1 1 1 15 2  17 o 12.169  0.1644 7.4306  113.900   0.03   -0.60  0.28   -0.09  
1 1 1 15 2  18 o 9.3243  0.2861 10.804  123.100   -1.23  0.58   -0.13  0.25   
1 1 1 15 2  19 o 12.867  0.3717 9.3892  5.5000    2.33   -1.89  -0.23  0.54   
1 1 1 15 2  20 o 3.4700  0.5783 1.3471  -20.1000  0.52   -0.04  -0.04  0.02   
1 1 1 15 2  21 o 12.729  0.5191 11.445  114.800   -0.71  4.46   0.69   0.43   
1 1 1 15 2  22 o 13.292  0.4578 13.567  106.800   -0.18  2.48   0.35   0.25   
1 1 1 15 2  23 o 10.360  0.3323 10.151  -93.4000  1.21   -1.73  -0.10  0.45   
1 1 1 15 2  24 o 9.3059  0.2820 8.3324  -59.1000  0.17   -0.20  -0.01  -0.06  
1 1 1 15 2  25 o 14.403  0.2709 13.262  -48.7000  1.03   -0.53  -0.07  -0.23  
1 1 1 15 2  26 o 3.2177  0.7883 ?       ?         -0.36  0.10   0.06   -0.03  
1 1 1 15 3  0  o 19.424  0.1507 29.734  -0.1000   -0.06  0.00   0.00   0.00   
1 1 1 15 3  1  f 35.792  0.6161 28.745  -141.3000 -0.31  -2.41  0.46   -0.00  
1 1 1 15 3  2  o 19.944  0.1523 12.844  163.800   0.28   -0.24  0.05   0.14   
1 1 1 15 3  3  o 47.886  0.7832 43.053  108.400   3.32   6.33   0.93   -1.76  
1 1 1 15 3  4  o 55.697  0.3611 65.215  -91.9000  -0.49  -0.93  0.06   -0.21  
1 1 1 15 3  5  o 32.146  1.3970 21.616  134.400   -12.89 16.80  1.20   4.07   
1 1 1 15 3  6  o 60.640  0.2601 45.400  175.500   -0.23  0.24   -0.27  0.20   
1 1 1 15 3  7  o 53.188  0.3966 63.401  -153.1000 -2.01  -0.34  -0.38  -0.19  
1 1 1 15 3  8  o 19.978  0.1203 24.142  83.500    -0.21  -0.34  0.09   -0.39  
1 1 1 15 3  9  o 32.915  0.3543 31.586  -164.2000 0.84   -7.03  3.71   0.54   
1 1 1 15 3  10 o 41.945  0.1986 42.796  -98.2000  1.21   -0.86  -1.34  0.98   
1 1 1 15 3  11 o 38.502  0.1885 42.241  53.500    -0.15  -0.04  0.16   0.09   
1 1 1 15 3  12 o 38.678  0.2519 43.946  -24.9000  1.67   0.62   -0.54  -0.21  
1 1 1 15 3  13 o 51.056  0.3343 48.086  -136.6000 -1.08  -0.52  -0.03  -0.18  
1 1 1 15 3  14 o 18.532  0.5131 22.259  -178.6000 -6.91  1.49   -2.18  0.73   
1 1 1 15 3  15 o 13.717  0.2061 8.0594  -137.9000 0.01   -2.54  1.69   -0.35  
1 1 1 15 3  16 o 20.101  0.2102 17.472  -105.3000 2.83   0.46   -1.73  -1.26  
1 1 1 15 3  17 o 17.795  0.1456 18.606  120.600   0.18   -0.12  0.02   0.06   
1 1 1 15 3  18 o 7.6536  0.3927 10.404  34.700    0.61   1.19   0.12   -0.13  
1 1 1 15 3  19 o 24.968  0.1954 27.746  -143.1000 -1.29  -0.08  -0.29  0.18   
1 1 1 15 3  20 o 14.544  0.4229 16.086  -167.2000 0.67   -1.92  0.15   0.24   
1 1 1 15 3  21 o 11.703  0.2007 12.251  -35.2000  0.46   0.58   0.75   0.04   
1 1 1 15 3  22 o 9.6825  0.2324 9.7374  -117.4000 -0.15  0.60   0.19   -0.28  
1 1 1 15 3  23 o 6.4424  0.3232 5.5636  -131.3000 -0.08  0.04   -0.00  -0.00  
1 1 1 15 3  24 o 13.011  0.2183 12.426  94.300    -0.84  0.09   -0.07  -0.12  
1 1 1 15 3  25 o 11.568  0.2842 12.797  -87.7000  -0.28  -1.40  -0.03  0.45   
1 1 1 15 3  26 o 4.8420  0.5744 ?       ?         0.07   0.21   0.00   0.01   
1 1 1 15 4  0  o 5.0596  0.1441 17.393  -179.9000 -0.02  0.00   0.00   0.00   
1 1 1 15 4  1  o 30.810  0.5840 36.745  -59.6000  0.01   -2.07  0.35   0.08   
1 1 1 15 4  2  o 37.891  0.4414 54.990  18.700    1.93   1.95   0.14   -0.84  
1 1 1 15 4  3  o 32.547  1.0125 28.595  131.500   -4.54  5.70   0.30   1.04   
1 1 1 15 4  4  o 52.075  0.7788 57.976  -160.2000 -1.39  -2.29  0.10   -0.27  
1 1 1 15 4  5  o 28.750  0.2122 10.169  -8.5000   1.11   -0.36  -0.50  0.26   
1 1 1 15 4  6  o 23.912  0.4187 8.1676  -152.7000 -0.27  0.10   -0.01  0.01   
1 1 1 15 4  7  o 30.489  0.3165 13.071  43.900    1.47   3.28   1.17   -1.12  
1 1 1 15 4  8  o 98.071  0.5300 105.410 82.100    4.92   2.10   -2.41  -1.11  
1 1 1 15 4  9  o 67.720  0.2908 92.450  88.900    -0.27  0.59   0.02   0.15   
1 1 1 15 4  10 o 20.958  0.4157 19.891  -73.9000  1.75   -4.58  0.97   1.01   
1 1 1 15 4  11 f 40.578  0.8206 34.774  178.900   -8.42  -0.06  -1.20  -0.14  
1 1 1 15 4  12 o 17.299  0.5002 18.019  -158.2000 -4.48  -5.37  0.20   -1.56  
1 1 1 15 4  13 o 22.809  0.5144 24.743  139.900   -5.86  0.20   -1.31  -0.04  
1 1 1 15 4  14 o 37.504  0.5655 23.505  -124.0000 3.47   -3.58  0.30   1.10   
1 1 1 15 4  15 o 22.211  0.5762 19.362  -111.7000 -2.61  -4.20  0.45   -0.69  
1 1 1 15 4  16 o 35.559  0.1944 32.219  106.800   0.96   -0.16  -0.29  -0.14  
1 1 1 15 4  17 o 16.762  0.1502 23.046  -90.6000  -0.04  -0.44  -0.38  -1.17  
1 1 1 15 4  18 f 22.320  0.2306 25.218  164.300   -0.36  0.14   -0.01  0.03   
1 1 1 15 4  19 f 8.4131  0.5465 7.7147  141.600   0.95   4.48   0.75   -0.24  
1 1 1 15 4  20 o 5.8394  0.2933 6.8765  -139.1000 -0.41  -0.47  0.06   -0.10  
1 1 1 15 4  21 o 18.375  0.1758 18.857  -157.0000 -1.21  -0.02  -0.17  0.87   
1 1 1 15 4  22 o 8.4248  0.3251 4.8844  90.800    -0.31  0.87   0.14   0.02   
1 1 1 15 4  23 o 17.966  0.2022 18.587  -63.4000  1.34   -0.06  -0.14  -0.25  
1 1 1 15 4  24 o 15.023  0.3978 13.471  156.100   -3.09  0.68   -0.63  -0.22  
1 1 1 15 4  25 o 3.7661  0.6069 3.5129  110.000   0.12   -0.04  0.01   0.00   
1 1 1 15 4  26 o 9.5618  0.4214 ?       ?         0.64   -1.32  0.13   -0.17  
1 1 1 15 5  0  o 104.015 0.5932 98.285  180.000   -1.46  0.00   0.00   0.00   
1 1 1 15 5  1  f 32.508  0.1798 38.133  156.900   -0.38  0.23   -0.14  0.12   
1 1 1 15 5  2  o 23.007  0.2443 3.8142  3.5000    -1.46  -1.18  -0.44  -1.12  
1 1 1 15 5  3  o 59.089  0.2787 73.984  -148.0000 0.25   -0.20  0.21   -0.55  
1 1 1 15 5  4  o 55.928  0.2662 57.029  -15.6000  1.19   -1.23  0.45   0.90   
1 1 1 15 5  5  o 10.266  0.1172 9.1109  98.200    -0.08  0.07   -0.16  0.25   
1 1 1 15 5  6  o 7.7830  0.2898 9.1447  -163.2000 -0.78  -3.06  1.87   -0.96  
1 1 1 15 5  7  o 28.494  0.8490 43.688  -75.1000  14.35  -7.16  -2.67  3.36   
1 1 1 15 5  8  o 21.553  0.2239 28.705  -46.8000  0.69   -3.62  2.47   0.78   
1 1 1 15 5  9  o 40.716  0.1972 41.114  -125.9000 0.58   -0.42  -0.11  0.16   
1 1 1 15 5  10 o 29.974  0.8239 21.969  77.800    -1.84  13.79  2.78   0.93   
1 1 1 15 5  11 o 13.285  0.2183 0.8894  42.600    0.15   -0.04  -0.00  0.00   
1 1 1 15 5  12 o 12.217  0.1805 7.1590  -99.3000  -0.13  -0.08  0.34   1.51   
1 1 1 15 5  13 o 15.898  0.1456 13.242  -63.4000  -1.03  -0.08  -0.47  0.03   
1 1 1 15 5  14 o 17.241  0.1573 9.8531  61.300    -0.24  0.44   0.10   0.08   
1 1 1 15 5  15 o 32.880  0.2069 32.038  92.200    -1.55  0.42   -0.71  -0.00  
1 1 1 15 5  16 o 14.397  0.3301 14.358  -103.6000 0.70   -4.31  1.74   0.31   
1 1 1 15 5  17 o 15.604  0.1600 18.111  55.500    0.40   -0.20  0.75   0.74   
1 1 1 15 5  18 o 17.395  0.1536 18.267  26.000    -0.01  0.43   0.10   -0.08  
1 1 1 15 5  19 o 26.274  0.1952 23.520  138.000   0.58   -0.27  -0.20  -0.11  
1 1 1 15 5  20 o 10.713  0.4742 10.148  145.400   -0.51  3.74   0.77   0.02   
1 1 1 15 5  21 o 16.695  0.3635 17.486  -147.5000 -0.84  1.20   0.10   0.11   
1 1 1 15 5  22 o 19.508  0.1836 21.322  -152.9000 -0.39  0.18   0.08   0.00   
1 1 1 15 5  23 o 2.4025  0.6639 4.0727  -84.0000  -0.07  -0.10  0.02   -0.00  
1 1 1 15 5  24 o 16.245  0.1980 16.274  -73.3000  0.50   -1.02  -0.29  0.12   
1 1 1 15 5  25 o 0.0000  1.9779 ?       ?         -0.12  0.08   -0.03  -0.05  
1 1 1 15 5  26 o 9.4019  0.4012 ?       ?         -0.44  0.11   0.03   0.00   
1 1 1 15 6  0  o 27.190  0.1917 23.433  179.900   0.11   0.00   0.00   0.00   
1 1 1 15 6  1  o 64.738  0.3146 66.878  -145.1000 -2.12  0.60   -0.68  1.12   
1 1 1 15 6  2  o 60.667  0.4095 64.499  93.500    1.35   1.35   -0.18  -0.54  
1 1 1 15 6  3  o 66.094  0.8200 47.059  118.700   -5.49  2.98   -1.10  1.16   
1 1 1 15 6  4  o 26.366  0.1956 43.093  166.200   0.26   1.05   0.47   -0.41  
1 1 1 15 6  5  o 40.041  0.1809 72.746  -51.0000  -0.07  0.26   0.04   0.04   
1 1 1 15 6  6  o 75.177  0.3142 89.669  51.400    -0.58  1.64   0.55   1.25   
1 1 1 15 6  7  o 113.131 0.4592 102.654 -129.6000 -0.25  -0.13  0.01   -0.04  
1 1 1 15 6  8  o 17.014  0.5632 8.2590  -167.6000 -10.47 -10.11 -0.09  -5.71  
1 1 1 15 6  9  o 74.434  0.3133 70.851  -47.7000  -0.01  -0.65  0.14   -0.13  
1 1 1 15 6  10 o 55.236  0.2508 55.420  -125.1000 -0.19  -0.03  0.14   0.03   
1 1 1 15 6  11 o 52.763  0.4096 58.875  -123.4000 3.00   -5.08  0.52   2.82   
1 1 1 15 6  12 o 46.886  0.2200 49.073  -50.8000  2.35   0.08   -1.50  -3.06  
1 1 1 15 6  13 o 11.118  0.4438 8.5611  -166.4000 -3.40  -4.49  0.34   -1.51  
1 1 1 15 6  14 f 10.082  0.3603 10.256  -53.9000  1.46   -1.09  -0.12  0.30   
1 1 1 15 6  15 f 10.547  0.3193 6.5799  -133.1000 -0.12  2.84   0.91   0.18   
1 1 1 15 6  16 o 12.689  0.1483 5.9270  158.300   -0.19  -0.09  0.61   -0.25  
1 1 1 15 6  17 o 31.382  0.1723 29.186  169.400   -0.18  0.56   -0.57  -0.68  
1 1 1 15 6  18 o 33.732  0.1807 33.835  74.200    0.98   0.32   -0.36  0.34   
1 1 1 15 6  19 o 22.475  0.1551 19.290  48.900    0.53   -0.01  -0.04  -0.18  
1 1 1 15 6  20 o 10.006  0.5496 11.113  85.600    1.55   -0.38  -0.09  0.07   
1 1 1 15 6  21 o 13.968  0.1819 14.848  48.300    0.16   0.38   -0.20  -0.14  
1 1 1 15 6  22 o 11.359  0.2892 10.327  -61.7000  0.10   -0.95  0.14   -0.08  
1 1 1 15 6  23 o 8.8002  0.2584 9.0435  114.300   0.34   -0.09  0.16   -0.09  
1 1 1 15 6  24 o 7.8531  0.5247 6.6473  11.100    0.44   0.24   0.00   -0.02  
1 1 1 15 6  25 o 2.8431  0.7480 4.3457  -168.7000 -0.09  0.01   -0.00  0.00   
1 1 1 15 6  26 o 10.434  0.4274 ?       ?         0.30   1.04   -0.12  -0.02  
1 1 1 15 7  0  o 27.326  0.2088 30.823  -0.0000   -0.11  0.00   0.00   0.00   
1 1 1 15 7  1  o 40.507  0.1929 34.557  -108.6000 -0.93  0.48   -0.01  1.47   
1 1 1 15 7  2  o 34.115  0.1597 24.890  78.800    -0.01  0.07   -0.06  -0.09  
1 1 1 15 7  3  f 67.363  0.2957 66.465  -49.4000  -0.16  -0.65  0.09   -0.23  
1 1 1 15 7  4  o 63.050  0.2722 65.843  91.500    0.15   -0.15  0.27   -0.03  
1 1 1 15 7  5  o 126.653 1.7383 136.764 99.900    -4.67  12.10  1.55   2.11   
1 1 1 15 7  6  o 69.349  0.2922 57.708  -168.3000 0.19   -1.50  1.06   0.98   
1 1 1 15 7  7  o 14.254  0.1129 22.289  118.100   -0.04  0.36   0.25   0.03   
1 1 1 15 7  8  f 20.476  0.3364 27.027  43.600    -0.48  -0.18  -0.01  -0.01  
1 1 1 15 7  9  o 19.307  0.1932 15.087  -128.4000 3.17   2.17   -1.50  -3.02  
1 1 1 15 7  10 o 66.629  0.2911 63.323  -20.9000  1.53   1.19   0.81   -1.18  
1 1 1 15 7  11 o 21.515  0.3026 17.330  116.500   2.41   4.43   1.62   -1.95  
1 1 1 15 7  12 o 17.374  0.2061 21.320  -163.1000 -1.00  -0.19  -0.26  -0.05  
1 1 1 15 7  13 f 11.595  0.1865 7.7502  -70.0000  -2.02  0.48   -1.89  1.52   
1 1 1 15 7  14 o 13.227  0.1384 16.519  -147.3000 1.13   -0.35  -0.99  1.28   
1 1 1 15 7  15 o 46.968  0.4577 45.407  -70.0000  -1.77  -3.12  0.77   -0.51  
1 1 1 15 7  16 o 6.9328  0.2281 9.7883  82.000    0.35   0.22   -0.04  -0.05  
1 1 1 15 7  17 o 22.613  0.1916 25.264  -95.3000  2.62   -0.53  -1.51  0.00   
1 1 1 15 7  18 o 23.669  0.2877 25.075  -91.6000  -0.42  -1.44  0.27   -0.03  
1 1 1 15 7  19 o 29.261  0.3711 28.257  55.800    4.85   2.38   -1.96  -0.66  
1 1 1 15 7  20 o 6.9691  0.2642 5.8478  -172.8000 -0.09  -0.85  0.20   -0.16  
1 1 1 15 7  21 o 4.2899  0.4092 4.8581  135.200   -0.57  -0.08  -0.11  -0.10  
1 1 1 15 7  22 o 12.969  0.2914 11.097  -114.2000 -0.88  -0.97  0.16   -0.16  
1 1 1 15 7  23 o 5.3587  0.3965 5.2003  -41.1000  1.11   1.16   0.23   -0.34  
1 1 1 15 7  24 o 9.0832  0.4110 9.0328  35.800    -0.41  0.66   0.05   0.02   
1 1 1 15 7  25 o 3.2324  0.9044 2.7060  119.900   0.42   -0.16  0.03   0.06   
1 1 1 15 7  26 o 0.0000  2.4346 ?       ?         0.10   0.15   0.01   0.01   
1 1 1 15 8  0  o 9.6747  0.1325 9.7037  0.2000    0.02   0.00   0.00   0.00   
1 1 1 15 8  1  o 29.833  0.1456 32.692  92.000    -0.97  0.26   -1.29  0.15   
1 1 1 15 8  2  o 71.101  0.3189 61.328  29.000    0.64   -1.98  1.15   0.11   
1 1 1 15 8  3  o 76.300  1.0171 83.200  97.300    0.39   7.20   1.51   0.12   
1 1 1 15 8  4  o 80.633  1.5990 73.122  -25.2000  16.80  0.18   -3.19  -0.35  
1 1 1 15 8  5  o 70.773  0.4043 69.438  -127.5000 -0.55  -2.05  0.71   -0.18  
1 1 1 15 8  6  o 56.806  0.5988 35.492  137.500   0.59   10.10  4.99   -1.15  
1 1 1 15 8  7  o 71.279  0.3226 66.136  117.800   -1.20  1.82   0.56   0.62   
1 1 1 15 8  8  o 22.184  0.1563 30.637  -112.0000 -0.18  -0.08  -0.06  -0.43  
1 1 1 15 8  9  o 31.728  0.1881 21.302  23.800    0.57   2.74   3.38   -0.62  
1 1 1 15 8  10 o 54.363  0.2578 42.538  -19.3000  1.49   -1.37  1.52   1.77   
1 1 1 15 8  11 o 17.394  0.1902 25.951  -160.7000 1.07   -2.92  1.42   1.60   
1 1 1 15 8  12 o 46.041  0.4155 50.979  167.800   -0.94  -0.20  -0.06  -0.06  
1 1 1 15 8  13 o 33.414  0.2422 25.007  -61.4000  -1.39  -2.32  0.21   -1.29  
1 1 1 15 8  14 o 23.975  0.8107 26.014  146.800   -14.62 -1.27  -2.81  -0.32  
1 1 1 15 8  15 o 41.817  0.2390 45.487  -173.0000 -0.31  -0.42  -0.02  -0.06  
1 1 1 15 8  16 o 17.352  0.1432 22.259  141.100   -0.99  0.06   -0.69  -0.28  
1 1 1 15 8  17 o 21.717  0.1533 21.446  80.600    0.51   0.52   -0.26  -0.30  
1 1 1 15 8  18 o 49.929  0.2463 47.689  -106.0000 -1.02  -1.65  0.54   0.09   
1 1 1 15 8  19 o 21.293  0.1800 18.866  56.400    0.63   -0.05  0.35   -0.43  
1 1 1 15 8  20 o 7.3163  0.2477 7.9671  22.200    -0.23  -0.42  0.01   -0.06  
1 1 1 15 8  21 o 13.824  0.5080 14.447  -159.4000 -4.64  -1.46  -0.59  -0.69  
1 1 1 15 8  22 o 7.2156  0.3058 4.6210  56.500    0.60   1.03   0.23   -0.12  
1 1 1 15 8  23 o 5.0589  0.4961 5.6784  -3.2000   1.28   -0.95  0.04   0.27   
1 1 1 15 8  24 o 7.9391  0.3238 7.0244  -33.0000  0.37   0.29   0.07   0.15   
1 1 1 15 8  25 f 6.2648  0.4583 7.8645  -122.2000 0.23   -0.57  -0.02  0.05   
1 1 1 15 8  26 o 9.3171  0.6752 ?       ?         0.21   -0.01  0.00   0.00   
1 1 1 15 9  0  o 40.291  0.2883 54.530  -0.0000   0.16   0.00   0.00   0.00   
1 1 1 15 9  1  o 18.611  0.8143 7.7977  37.700    -4.50  6.32   0.52   1.73   
1 1 1 15 9  2  o 44.276  1.1294 54.758  64.000    6.29   8.41   0.41   -1.88  
1 1 1 15 9  3  o 99.234  0.4017 106.030 -124.1000 -1.77  -0.69  -1.18  -0.11  
1 1 1 15 9  4  o 130.040 0.5152 123.137 52.000    0.57   0.64   0.43   -0.01  
1 1 1 15 9  5  f 55.597  0.2385 50.606  -48.8000  0.32   0.47   0.55   -0.34  
1 1 1 15 9  6  o 22.361  0.2291 5.8081  -8.9000   -0.20  -4.06  3.79   -0.68  
1 1 1 15 9  7  o 31.292  0.5343 40.742  -106.0000 4.64   -9.70  2.65   3.01   
1 1 1 15 9  8  o 42.496  0.5828 46.336  -72.0000  -0.77  -9.25  2.67   -0.22  
1 1 1 15 9  9  o 33.406  0.5192 48.562  45.400    0.50   -2.75  0.28   0.14   
1 1 1 15 9  10 o 22.481  0.1675 27.587  102.500   0.24   -0.85  0.28   0.33   
1 1 1 15 9  11 o 38.079  0.6241 35.833  -40.2000  0.23   -4.56  0.55   0.13   
1 1 1 15 9  12 f 35.803  0.2015 32.243  134.800   -0.20  0.12   0.13   -0.20  
1 1 1 15 9  13 o 23.739  0.1449 22.049  -71.2000  -0.05  -0.08  -0.01  0.08   
1 1 1 15 9  14 o 32.247  0.1900 33.001  134.300   -1.44  0.38   -0.62  0.07   
1 1 1 15 9  15 o 37.751  0.3860 32.715  86.300    0.43   3.34   0.68   -0.43  
1 1 1 15 9  16 o 20.705  0.1481 24.429  28.100    0.07   -0.05  -0.03  -0.01  
1 1 1 15 9  17 o 16.511  0.1556 19.582  81.100    0.14   1.16   0.68   -0.65  
1 1 1 15 9  18 o 29.679  0.3460 29.187  -61.6000  0.36   -0.93  0.03   0.08   
1 1 1 15 9  19 o 21.072  0.1670 23.170  -80.0000  0.79   -0.64  -0.99  -0.52  
1 1 1 15 9  20 o 12.134  0.1817 13.046  47.900    0.67   0.51   0.42   -0.41  
1 1 1 15 9  21 o 14.174  0.1854 12.163  -9.0000   0.08   -0.24  -0.01  -0.10  
1 1 1 15 9  22 o 1.9594  0.7282 2.4041  93.300    0.11   -0.15  0.04   0.02   
1 1 1 15 9  23 o 10.372  0.2344 8.5025  -19.4000  -0.10  0.18   0.02   -0.04  
1 1 1 15 9  24 o 5.6065  0.4125 5.3734  -71.5000  0.38   0.18   0.02   -0.04  
1 1 1 15 9  25 f 7.2078  0.8346 7.6640  61.400    0.63   2.00   0.20   0.04   
1 1 1 15 9  26 o 8.7424  0.6741 ?       ?         -0.43  0.18   0.01   -0.01  
1 1 1 15 10 0  o 19.380  0.2923 1.1061  -2.7000   -0.11  0.00   0.00   0.00   
1 1 1 15 10 1  o 74.698  1.4184 81.428  -179.6000 -6.21  3.83   -0.27  0.80   
1 1 1 15 10 2  o 40.080  0.1803 45.398  98.400    0.47   -0.02  -0.74  -0.53  
1 1 1 15 10 3  o 94.497  0.8870 80.622  14.400    4.60   3.03   -0.76  -1.06  
1 1 1 15 10 4  o 42.282  0.2264 41.208  -29.1000  -0.59  -1.38  0.45   -0.76  
1 1 1 15 10 5  o 39.794  0.3035 61.022  173.300   -0.97  0.85   -0.05  0.22   
1 1 1 15 10 6  o 72.488  0.3074 71.838  -66.0000  0.10   -0.19  -0.34  -0.11  
1 1 1 15 10 7  o 48.794  0.4010 35.334  -100.1000 2.14   -4.88  1.30   1.81   
1 1 1 15 10 8  o 9.0583  0.1151 15.317  -81.0000  -0.51  -1.62  1.26   -1.01  
1 1 1 15 10 9  o 32.842  0.1823 23.545  152.500   -0.25  -0.31  -1.33  0.08   
1 1 1 15 10 10 o 31.513  0.3980 34.857  97.700    0.77   3.13   0.71   -0.23  
1 1 1 15 10 11 o 40.074  1.0384 41.211  51.000    5.98   14.68  2.09   -1.70  
1 1 1 15 10 12 o 9.5801  0.5177 18.528  -120.8000 0.65   -6.49  1.67   0.42   
1 1 1 15 10 13 o 30.612  0.1647 33.770  -179.7000 0.04   0.25   -0.10  -0.19  
1 1 1 15 10 14 o 31.422  0.3110 27.836  -7.2000   2.08   3.02   0.18   -1.26  
1 1 1 15 10 15 o 36.057  0.5258 33.318  -5.1000   1.83   -0.97  -0.06  0.16   
1 1 1 15 10 16 o 8.3951  0.6216 10.531  47.800    5.83   -0.62  -0.90  0.25   
1 1 1 15 10 17 o 17.490  0.1519 18.090  -38.7000  0.52   -0.17  -0.21  0.01   
1 1 1 15 10 18 o 19.297  0.4831 18.820  -23.5000  3.08   -0.68  -0.39  0.09   
1 1 1 15 10 19 o 29.782  0.4462 29.766  -42.8000  1.15   -2.17  0.03   0.30   
1 1 1 15 10 20 o 13.638  0.2851 14.252  -144.6000 -1.25  0.29   -0.22  -0.01  
1 1 1 15 10 21 o 14.458  0.2232 13.090  49.200    -1.25  1.46   -0.36  0.61   
1 1 1 15 10 22 o 10.626  0.4221 9.9323  -35.4000  2.33   -1.42  -0.01  0.56   
1 1 1 15 10 23 o 9.9594  0.2503 9.2568  4.8000    0.24   -0.14  0.05   -0.02  
1 1 1 15 10 24 o 10.140  0.3685 10.067  -74.7000  1.34   -1.37  -0.31  0.26   
1 1 1 15 10 25 o 12.006  0.6889 12.114  -144.2000 -4.29  -0.17  -0.45  0.32   
1 1 1 15 10 26 o 10.096  1.2771 ?       ?         0.29   -2.28  0.04   0.10   
1 1 1 15 11 0  o 112.927 0.7337 98.731  0.0000    0.11   0.00   0.00   0.00   
1 1 1 15 11 1  o 29.127  0.1650 30.082  60.500    0.55   -1.49  1.49   2.12   
1 1 1 15 11 2  o 45.497  1.0139 38.326  -26.5000  13.93  0.62   -3.96  -0.12  
1 1 1 15 11 3  o 20.637  0.3448 17.016  -155.3000 -1.93  1.94   0.07   1.06   
1 1 1 15 11 4  o 47.997  0.4406 23.941  55.800    0.11   0.68   0.05   -0.01  
1 1 1 15 11 5  o 70.825  0.3422 54.162  -31.1000  0.81   0.50   -0.11  -0.11  
1 1 1 15 11 6  o 77.809  0.3910 71.375  -137.5000 0.27   -1.58  0.27   0.22   
1 1 1 15 11 7  o 36.051  0.5845 39.930  139.700   -8.38  -3.59  -1.70  -1.98  
1 1 1 15 11 8  o 16.685  0.1156 3.9876  66.500    0.04   -0.01  0.18   -0.16  
1 1 1 15 11 9  o 39.008  0.6514 37.019  47.400    6.62   3.40   -0.73  -1.28  
1 1 1 15 11 10 o 63.016  0.2826 61.212  -112.3000 0.67   -1.16  -0.10  0.43   
1 1 1 15 11 11 o 28.784  0.1542 35.297  19.400    0.23   -1.29  0.63   0.01   
1 1 1 15 11 12 o 23.792  0.7241 24.403  103.400   4.53   8.99   0.98   -1.55  
1 1 1 15 11 13 o 17.911  0.2702 21.220  105.100   -1.82  1.16   -0.44  0.60   
1 1 1 15 11 14 o 20.490  0.1737 16.023  72.600    1.21   -0.54  -0.23  0.43   
1 1 1 15 11 15 o 29.461  0.4003 26.360  -133.9000 -4.24  -0.88  -1.18  -0.22  
1 1 1 15 11 16 o 31.204  0.1765 31.437  46.000    0.09   0.47   0.13   0.23   
1 1 1 15 11 17 o 13.449  0.1758 11.814  63.400    -0.70  -0.32  -0.06  -0.26  
1 1 1 15 11 18 o 14.618  0.1717 14.519  151.300   0.04   -0.02  -0.00  0.00   
1 1 1 15 11 19 o 21.250  0.1884 18.835  51.800    0.00   0.30   -0.06  0.04   
1 1 1 15 11 20 o 7.1377  0.2720 7.2861  12.300    0.11   -0.01  -0.00  0.02   
1 1 1 15 11 21 o 22.101  0.1735 21.676  -29.8000  1.20   0.35   0.18   -0.45  
1 1 1 15 11 22 o 3.4348  0.9630 2.8258  -71.2000  0.01   -0.03  0.00   0.00   
1 1 1 15 11 23 o 15.454  0.5164 14.651  81.800    1.11   1.17   0.09   -0.09  
1 1 1 15 11 24 o 10.037  0.2975 11.185  65.000    0.17   0.71   -0.01  0.17   
1 1 1 15 11 25 o 9.0530  0.3308 9.4958  -133.4000 -0.44  -0.71  0.10   0.20   
1 1 1 15 11 26 f 11.912  0.4340 ?       ?         -0.36  0.89   -0.06  0.00   
1 1 1 15 12 0  o 15.802  0.2123 8.1494  0.2000    0.03   0.00   0.00   0.00   
1 1 1 15 12 1  o 23.196  1.9195 5.8388  66.000    -27.21 -0.58  -3.69  -0.11  
1 1 1 15 12 2  o 94.182  0.5819 102.552 -5.8000   1.37   -1.36  0.11   0.34   
1 1 1 15 12 3  o 34.200  0.1726 37.255  149.900   -0.56  -0.47  2.40   -3.27  
1 1 1 15 12 4  o 61.256  0.2607 55.278  -17.5000  0.50   0.52   -0.03  -0.13  
1 1 1 15 12 5  o 57.564  0.3964 50.032  -54.2000  0.39   -2.31  0.55   0.10   
1 1 1 15 12 6  o 33.641  0.1867 41.232  -143.4000 -3.00  3.97   2.81   6.31   
1 1 1 15 12 7  o 58.336  0.4866 46.211  -65.3000  -0.82  -5.97  1.82   -0.89  
1 1 1 15 12 8  o 23.377  0.1381 36.443  -119.3000 0.56   -0.50  -0.09  0.31   
1 1 1 15 12 9  f 31.126  0.4297 34.280  106.300   2.51   6.26   1.59   -1.92  
1 1 1 15 12 10 o 25.921  0.1979 29.292  -42.8000  -0.86  -2.36  0.92   -1.27  
1 1 1 15 12 11 o 45.756  0.3499 48.498  -27.3000  0.26   -1.89  0.42   -0.08  
1 1 1 15 12 12 o 34.778  0.2821 29.565  -69.2000  -0.47  0.76   0.02   0.11   
1 1 1 15 12 13 o 53.278  0.2475 55.061  86.200    -0.13  0.61   -0.04  0.19   
1 1 1 15 12 14 o 35.391  0.3116 37.272  84.500    -0.40  2.11   0.40   0.40   
1 1 1 15 12 15 o 18.714  0.2150 18.684  104.400   2.58   1.58   -1.11  -1.34  
1 1 1 15 12 16 o 18.813  0.2862 17.937  33.100    0.39   -1.48  0.18   0.17   
1 1 1 15 12 17 o 16.398  0.1471 18.930  -67.7000  0.35   -0.87  0.52   0.05   
1 1 1 15 12 18 o 19.280  0.2895 18.412  -129.0000 -1.64  -1.31  0.07   -0.43  
1 1 1 15 12 19 o 10.867  0.3131 12.164  -100.3000 -1.44  -1.29  -0.28  -0.45  
1 1 1 15 12 20 o 13.229  0.1851 13.793  -67.8000  0.05   0.18   -0.01  -0.03  
1 1 1 15 12 21 o 11.125  0.4174 9.6517  -136.8000 -0.94  -2.24  0.17   -0.37  
1 1 1 15 12 22 o 6.8192  0.5499 5.3485  -136.2000 -1.86  1.10   -0.04  0.31   
1 1 1 15 12 23 o 5.0716  0.5047 4.5048  -0.9000   -0.42  0.19   -0.00  0.03   
1 1 1 15 12 24 o 12.482  0.2716 12.035  -169.1000 -0.89  0.75   -0.23  -0.20  
1 1 1 15 12 25 o 4.7898  0.6009 3.2424  152.300   0.20   -0.42  0.03   -0.01  
1 1 1 15 12 26 o 8.8397  0.5840 ?       ?         0.50   -0.46  -0.01  -0.02  
1 1 1 15 13 0  o 11.773  0.1592 25.222  -0.0000   -0.03  0.00   0.00   0.00   
1 1 1 15 13 1  o 69.887  0.3336 70.384  38.600    0.24   0.50   0.01   -0.20  
1 1 1 15 13 2  o 97.637  0.3928 84.479  -172.4000 -0.78  0.78   -0.69  0.49   
1 1 1 15 13 3  o 18.447  0.7401 12.786  -148.1000 -10.22 -6.38  -1.05  -2.25  
1 1 1 15 13 4  o 99.089  0.3998 96.790  128.000   -0.37  0.45   -0.75  -0.56  
1 1 1 15 13 5  o 120.916 0.4832 125.532 -133.3000 0.50   -1.32  0.00   0.37   
1 1 1 15 13 6  o 59.471  0.3345 39.908  20.900    1.29   0.64   -0.12  -0.25  
1 1 1 15 13 7  o 67.311  0.6398 67.823  -130.5000 -6.44  0.99   -1.54  0.86   
1 1 1 15 13 8  f 17.421  0.3395 23.696  -59.9000  2.54   -1.52  -0.28  0.64   
1 1 1 15 13 9  o 22.988  0.2822 21.595  -98.3000  -3.54  -0.31  -1.34  -0.06  
1 1 1 15 13 10 o 34.092  0.1726 30.573  -160.7000 0.45   -1.57  0.78   2.41   
1 1 1 15 13 11 o 18.901  0.1297 12.408  80.800    -0.44  0.32   -1.23  0.35   
1 1 1 15 13 12 o 26.472  0.5050 25.157  -59.5000  -3.77  -7.93  1.68   -2.73  
1 1 1 15 13 13 o 43.377  0.2455 44.942  -26.2000  1.23   0.61   -0.55  -0.13  
1 1 1 15 13 14 o 24.943  0.2553 28.770  166.200   -2.04  -0.81  -0.38  -0.70  
1 1 1 15 13 15 o 41.774  0.4246 38.770  28.600    0.97   1.10   0.07   -0.12  
1 1 1 15 13 16 f 38.732  0.5166 38.252  -86.3000  -0.03  -1.57  0.09   0.03   
1 1 1 15 13 17 o 15.668  0.1814 15.843  27.000    0.34   0.82   1.47   1.13   
1 1 1 15 13 18 o 17.237  0.2932 13.517  1.0000    2.73   3.64   1.07   -1.54  
1 1 1 15 13 19 o 20.190  0.4205 17.499  -65.3000  -2.08  -4.25  0.22   -1.39  
1 1 1 15 13 20 o 8.9590  0.2330 7.7448  158.000   -0.61  0.28   0.21   0.44   
1 1 1 15 13 21 o 19.923  0.1790 18.368  -109.8000 0.22   -0.29  -0.05  -0.01  
1 1 1 15 13 22 o 11.412  0.3106 11.319  -44.1000  -0.38  0.59   -0.02  0.06   
1 1 1 15 13 23 o 6.1339  0.3521 4.5809  97.900    -0.00  0.26   -0.02  -0.05  
1 1 1 15 13 24 o 10.630  0.2882 9.9879  -163.6000 -0.91  -0.33  -0.12  0.12   
1 1 1 15 13 25 o 4.0935  0.6178 3.4771  -154.0000 -0.03  -0.37  0.00   0.04   
1 1 1 15 13 26 o 11.940  0.5269 ?       ?         0.54   0.46   0.01   0.01   
1 1 1 15 14 0  o 71.827  0.9562 83.534  -0.0000   0.21   0.00   0.00   0.00   
1 1 1 15 14 1  o 63.955  0.3427 42.616  48.900    0.03   0.35   0.06   -0.36  
1 1 1 15 14 2  o 24.920  0.1265 26.718  16.200    0.14   0.56   0.36   -0.30  
1 1 1 15 14 3  o 49.969  0.7825 38.395  12.500    7.17   6.38   -0.12  -2.09  
1 1 1 15 14 4  o 28.564  0.4333 18.335  151.500   -8.73  -3.96  -3.35  -4.25  
1 1 1 15 14 5  o 54.946  0.2766 58.531  91.100    1.54   0.17   -1.02  -0.76  
1 1 1 15 14 6  o 77.777  0.3662 67.015  -112.4000 0.38   -1.24  0.23   0.03   
1 1 1 15 14 7  o 49.721  0.3627 58.449  -97.2000  0.04   -2.20  0.43   0.10   
1 1 1 15 14 8  o 57.993  0.2625 51.499  40.300    -0.85  1.24   -0.47  0.95   
1 1 1 15 14 9  o 33.571  0.4151 18.136  -4.4000   3.10   -0.31  -0.58  0.23   
1 1 1 15 14 10 o 20.397  0.1323 23.073  -70.0000  -0.46  -0.62  -0.41  -1.30  
1 1 1 15 14 11 o 30.097  0.5183 37.277  114.100   -3.21  -1.12  -0.34  -0.38  
1 1 1 15 14 12 o 30.544  0.6173 37.479  -58.3000  5.50   -2.77  -0.93  0.89   
1 1 1 15 14 13 o 16.298  0.1681 19.631  -11.0000  -0.88  -1.73  1.40   -1.11  
1 1 1 15 14 14 o 24.785  0.2958 27.542  -28.9000  1.17   -2.07  0.19   0.67   
1 1 1 15 14 15 o 9.4064  0.1728 12.457  -64.9000  -0.23  0.13   -0.02  0.07   
1 1 1 15 14 16 o 16.861  0.1521 17.637  -85.8000  -1.74  -0.67  -1.03  -0.38  
1 1 1 15 14 17 o 12.302  0.2056 15.421  -116.9000 -2.51  -1.71  -1.38  -1.59  
1 1 1 15 14 18 f 13.016  0.2739 12.713  -134.3000 -2.32  0.12   -0.58  -0.10  
1 1 1 15 14 19 o 7.4010  0.2521 8.8550  169.700   -0.11  0.30   -0.02  0.13   
1 1 1 15 14 20 o 22.636  0.1702 22.908  -173.9000 -0.16  -0.22  0.01   0.06   
1 1 1 15 14 21 o 17.174  0.1849 17.145  -66.9000  0.18   -0.06  -0.01  -0.02  
1 1 1 15 14 22 o 8.9143  0.2642 9.8622  30.200    1.32   -0.14  -0.38  -0.76  
1 1 1 15 14 23 f 14.689  0.2059 13.912  -87.7000  -0.03  -0.81  0.02   0.11   
1 1 1 15 14 24 o 10.603  0.2967 9.0116  -144.0000 -0.15  0.56   -0.12  -0.00  
1 1 1 15 14 25 o 6.9184  0.9663 6.5757  37.200    0.24   0.52   0.00   -0.01  
1 1 1 15 14 26 o 9.4433  0.6201 ?       ?         -0.26  -0.31  0.00   0.00   
1 1 1 15 15 0  o 140.264 1.5836 140.538 -0.0000   -0.43  0.00   0.00   0.00   
1 1 1 15 15 1  o 17.358  0.2134 26.391  89.900    -0.00  -0.08  0.00   0.00   
1 1 1 15 15 2  f 70.123  0.4435 55.699  -180.0000 -0.17  0.00   0.00   0.00   
1 1 1 15 15 3  o 136.061 0.7623 111.947 90.000    0.00   0.73   0.00   0.00   
1 1 1 15 15 4  o 13.420  0.1692 8.4304  -179.8000 0.02   0.00   0.00   0.00   
1 1 1 15 15 5  o 45.110  0.3214 22.911  90.000    0.00   0.04   0.00   0.00   
1 1 1 15 15 6  o 104.902 0.6061 82.265  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 15 15 7  o 64.595  0.4153 50.041  -90.0000  -0.00  -0.51  0.00   0.00   
1 1 1 15 15 8  o 11.136  0.1985 8.5888  -0.2000   0.07   0.00   0.00   0.00   
1 1 1 15 15 9  f 21.691  0.2799 27.727  -90.0000  0.00   0.15   0.00   0.00   
1 1 1 15 15 10 o 24.106  0.2158 19.253  -179.8000 0.03   0.00   0.00   0.00   
1 1 1 15 15 11 o 57.971  0.3804 55.015  90.000    -0.00  -0.10  0.00   0.00   
1 1 1 15 15 12 o 9.8336  0.2042 14.933  -179.8000 0.01   0.00   0.00   0.00   
1 1 1 15 15 13 o 19.509  0.3400 11.671  -89.9000  -0.00  -0.13  0.00   0.00   
1 1 1 15 15 14 o 49.972  0.3320 43.438  -0.1000   0.11   0.00   0.00   0.00   
1 1 1 15 15 15 o 14.890  0.2021 18.884  -89.9000  0.00   0.09   0.00   0.00   
1 1 1 15 15 16 o 6.0910  0.3780 0.5868  -177.1000 -0.01  0.00   0.00   0.00   
1 1 1 15 15 17 o 2.3875  0.7268 2.8111  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 15 15 18 o 14.615  0.2588 13.612  -180.0000 -0.03  0.00   0.00   0.00   
1 1 1 15 15 19 o 13.042  0.2924 8.5307  -90.0000  0.00   0.06   0.00   0.00   
1 1 1 15 15 20 o 10.493  0.3100 7.3551  -180.0000 -0.07  0.00   0.00   0.00   
1 1 1 15 15 21 o 14.481  0.2811 12.672  90.000    0.00   0.42   0.00   0.00   
1 1 1 15 15 22 o 14.512  0.2772 16.047  180.000   -0.26  0.00   0.00   0.00   
1 1 1 15 15 23 f 8.5206  0.3923 7.9974  90.000    -0.00  -0.25  0.00   0.00   
1 1 1 15 15 24 o 2.0000  1.0140 1.2262  0.0000    -0.07  0.00   0.00   0.00   
1 1 1 15 15 25 o 2.3238  1.0366 ?       ?         -0.00  -0.08  0.00   0.00   
1 1 1 15 15 26 o 3.0984  1.5259 ?       ?         -0.01  0.00   0.00   0.00   
1 1 1 16 0  0  o 148.349 1.1664 107.351 -0.0000   0.59   0.00   0.00   0.00   
1 1 1 16 0  1  o 30.478  0.2490 35.382  -45.0000  -0.00  0.00   0.00   0.00   
1 1 1 16 0  2  o 49.477  0.2993 31.350  -89.9000  0.00   0.10   0.00   0.00   
1 1 1 16 0  3  o 63.257  0.3779 39.420  45.000    -0.12  -0.12  0.00   0.00   
1 1 1 16 0  4  o 21.822  0.2268 2.7549  0.1000    -0.14  0.00   0.00   0.00   
1 1 1 16 0  5  o 74.657  0.4341 63.996  135.000   -0.09  0.09   0.00   0.00   
1 1 1 16 0  6  o 30.914  0.2248 39.821  89.900    0.00   0.01   0.00   0.00   
1 1 1 16 0  7  f 15.162  0.1857 29.937  -135.0000 -0.02  -0.02  0.00   0.00   
1 1 1 16 0  8  o 21.564  0.2226 34.177  180.000   0.01   0.00   0.00   0.00   
1 1 1 16 0  9  o 62.738  0.4180 69.578  -45.0000  -0.10  0.10   0.00   0.00   
1 1 1 16 0  10 o 66.384  0.4162 68.518  90.000    -0.00  -0.12  0.00   0.00   
1 1 1 16 0  11 o 37.901  0.2750 36.202  45.000    -0.03  -0.03  0.00   0.00   
1 1 1 16 0  12 o 57.106  0.3706 64.033  0.0000    0.72   0.00   0.00   0.00   
1 1 1 16 0  13 o 21.429  0.2900 22.756  -45.0000  0.14   -0.14  0.00   0.00   
1 1 1 16 0  14 o 30.615  0.2350 19.851  90.000    0.00   0.15   0.00   0.00   
1 1 1 16 0  15 o 7.0071  0.2745 11.434  -134.9000 -0.01  -0.01  0.00   0.00   
1 1 1 16 0  16 o 44.574  0.2997 44.631  179.900   -0.21  0.00   0.00   0.00   
1 1 1 16 0  17 o 9.5656  0.2743 6.8095  135.000   0.07   -0.07  0.00   0.00   
1 1 1 16 0  18 o 9.5394  0.3046 6.8477  -90.1000  -0.00  -0.02  0.00   0.00   
1 1 1 16 0  19 o 7.3553  0.3685 4.7491  -134.9000 0.10   0.10   0.00   0.00   
1 1 1 16 0  20 o 35.198  0.3209 34.115  -180.0000 -1.15  0.00   0.00   0.00   
1 1 1 16 0  21 o 7.3756  0.3553 13.023  135.000   -0.09  0.09   0.00   0.00   
1 1 1 16 0  22 f 3.7148  0.7021 4.0734  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 16 0  23 o 18.997  0.2647 18.924  -135.0000 -0.17  -0.17  0.00   0.00   
1 1 1 16 0  24 o 10.710  0.3611 10.622  180.000   0.24   0.00   0.00   0.00   
1 1 1 16 0  25 o 10.550  0.4973 12.627  135.000   -0.31  0.31   0.00   0.00   
1 1 1 16 0  26 o 11.380  0.4802 ?       ?         0.00   0.01   0.00   0.00   
1 1 1 16 1  0  o 57.717  0.3539 67.983  -180.0000 -0.23  0.00   0.00   0.00   
1 1 1 16 1  1  o 34.162  0.7624 49.522  -152.7000 -3.99  0.56   -0.56  0.21   
1 1 1 16 1  2  o 41.809  0.1988 41.079  68.500    0.04   0.02   -0.00  0.02   
1 1 1 16 1  3  o 35.197  1.0995 38.883  -60.0000  0.57   -7.94  1.11   0.10   
1 1 1 16 1  4  o 39.563  0.7635 44.426  82.200    -10.27 3.46   -3.77  2.34   
1 1 1 16 1  5  o 63.252  0.2655 79.091  -79.7000  -0.02  -0.21  -0.49  -0.16  
1 1 1 16 1  6  f 50.663  0.2928 51.556  84.500    2.21   0.48   -0.85  -0.23  
1 1 1 16 1  7  o 50.491  0.2215 51.477  28.300    -0.07  0.09   -0.19  0.01   
1 1 1 16 1  8  o 59.805  0.5657 45.655  -88.3000  2.36   -2.28  -0.08  0.52   
1 1 1 16 1  9  o 6.5910  0.3118 16.760  -6.6000   3.53   -3.88  0.30   2.57   
1 1 1 16 1  10 o 29.933  0.1614 27.075  -41.6000  -0.04  -0.34  0.07   0.01   
1 1 1 16 1  11 o 28.620  0.6370 23.107  -144.6000 3.40   -8.42  1.47   1.70   
1 1 1 16 1  12 o 21.085  0.1373 15.178  -164.5000 -0.02  0.12   0.01   -0.00  
1 1 1 16 1  13 o 7.8953  0.1808 3.6806  -133.6000 -0.01  0.39   0.41   -0.10  
1 1 1 16 1  14 o 31.085  0.3724 29.158  -24.9000  1.30   2.76   0.74   -0.52  
1 1 1 16 1  15 o 18.867  0.1393 21.765  30.000    0.06   -0.06  0.06   -0.04  
1 1 1 16 1  16 o 10.414  0.2801 7.5268  -3.4000   3.33   0.12   -1.53  -0.33  
1 1 1 16 1  17 o 8.0598  0.3360 6.9626  78.600    0.39   1.87   0.32   -0.10  
1 1 1 16 1  18 o 13.110  0.1842 13.173  96.900    -0.75  -0.03  -0.37  0.25   
1 1 1 16 1  19 o 6.1869  0.8464 6.7953  92.700    -1.93  4.73   0.38   0.44   
1 1 1 16 1  20 o 15.776  0.1735 13.942  -20.9000  -0.09  0.15   -0.05  -0.03  
1 1 1 16 1  21 o 8.6471  0.2220 7.7287  68.400    -0.03  -0.83  0.32   0.21   
1 1 1 16 1  22 o 13.686  0.4091 11.394  91.800    1.13   3.20   0.31   -0.97  
1 1 1 16 1  23 o 8.2305  0.2843 9.8296  105.000   0.87   -0.37  -0.43  -0.21  
1 1 1 16 1  24 o 3.9057  0.4631 3.5641  33.700    -0.03  -0.09  -0.00  0.01   
1 1 1 16 1  25 o 7.9046  0.3860 6.7803  81.500    -0.73  0.14   -0.02  -0.15  
1 1 1 16 1  26 o 14.018  0.8796 ?       ?         -2.53  1.24   -0.18  -0.01  
1 1 1 16 2  0  f 15.343  0.1517 10.376  0.0000    -0.06  0.00   0.00   0.00   
1 1 1 16 2  1  f 46.666  0.2057 28.740  -78.1000  0.50   -0.13  -0.25  -0.02  
1 1 1 16 2  2  o 43.916  0.1962 51.847  175.500   -0.54  0.17   3.85   -0.26  
1 1 1 16 2  3  o 69.516  0.2874 67.384  107.800   -0.35  1.23   0.25   0.71   
1 1 1 16 2  4  o 129.843 0.5177 136.147 47.000    -0.08  0.25   -0.00  -0.04  
1 1 1 16 2  5  o 33.412  0.5160 16.396  -26.8000  1.24   -3.25  0.68   0.52   
1 1 1 16 2  6  o 104.351 0.4354 107.870 18.100    0.72   1.15   1.35   -0.05  
1 1 1 16 2  7  f 61.628  0.7477 75.133  -39.2000  6.73   -3.25  -1.24  1.29   
1 1 1 16 2  8  o 98.362  0.4084 83.981  0.4000    0.44   -1.20  0.64   -0.07  
1 1 1 16 2  9  o 28.690  0.1815 31.342  -105.2000 -1.94  1.18   -0.78  1.09   
1 1 1 16 2  10 o 25.903  0.1424 18.164  67.200    0.24   -0.21  0.20   0.29   
1 1 1 16 2  11 o 48.461  0.2231 59.822  69.100    -0.81  1.00   -0.18  0.49   
1 1 1 16 2  12 o 51.490  0.3860 62.208  147.500   -0.05  1.97   0.37   -0.17  
1 1 1 16 2  13 o 54.205  0.3598 52.503  159.600   -3.05  1.99   0.12   1.47   
1 1 1 16 2  14 o 17.823  0.3187 18.925  114.200   2.45   0.70   -0.58  -0.51  
1 1 1 16 2  15 o 19.900  0.3176 29.365  14.500    -0.14  -2.54  0.72   -0.24  
1 1 1 16 2  16 o 42.150  0.2908 44.353  0.7000    -0.10  0.12   0.00   0.00   
1 1 1 16 2  17 o 41.792  0.2019 44.149  20.900    0.39   0.66   0.30   0.10   
1 1 1 16 2  18 o 11.114  0.4325 9.4813  -17.1000  3.62   2.00   -0.63  -0.74  
1 1 1 16 2  19 o 6.0146  0.3213 3.1622  -63.7000  -0.80  -1.12  0.17   -0.27  
1 1 1 16 2  20 o 27.711  0.1966 27.197  79.900    0.38   -0.29  -0.07  -0.06  
1 1 1 16 2  21 o 17.093  0.1757 15.011  56.000    -0.33  0.95   0.01   0.30   
1 1 1 16 2  22 o 4.3011  0.5101 5.1125  -93.3000  0.12   -1.12  0.15   0.09   
1 1 1 16 2  23 o 3.3228  1.4943 3.7268  25.700    0.32   -0.02  -0.01  0.00   
1 1 1 16 2  24 o 14.337  0.3282 15.894  27.000    1.43   1.19   -0.34  -0.08  
1 1 1 16 2  25 o 12.441  0.5509 12.722  -13.7000  -0.30  -0.94  0.00   -0.05  
1 1 1 16 2  26 o 6.4625  0.6278 ?       ?         0.25   0.08   0.00   -0.01  
1 1 1 16 3  0  o 34.470  0.2377 35.425  180.000   -0.12  0.00   0.00   0.00   
1 1 1 16 3  1  o 78.720  0.5106 70.074  -30.1000  3.69   -0.21  -1.53  -0.46  
1 1 1 16 3  2  o 89.260  0.5116 89.383  113.200   2.09   2.51   -0.41  -1.27  
1 1 1 16 3  3  o 132.464 0.6084 148.274 -76.0000  -2.26  -0.98  0.12   -0.71  
1 1 1 16 3  4  o 88.556  0.3613 95.376  -24.5000  1.74   0.54   -0.47  -1.15  
1 1 1 16 3  5  o 28.141  0.1886 32.283  -52.4000  -1.76  -0.58  -1.33  -1.39  
1 1 1 16 3  6  o 49.089  0.3840 58.908  34.700    4.84   -2.11  -1.78  2.52   
1 1 1 16 3  7  o 42.325  0.2497 36.815  8.5000    1.75   -2.72  1.54   2.24   
1 1 1 16 3  8  o 42.981  0.2835 45.092  60.200    -2.53  2.17   -0.45  1.52   
1 1 1 16 3  9  o 45.373  0.2088 50.025  78.900    0.04   0.20   0.01   -0.01  
1 1 1 16 3  10 o 32.342  0.1899 38.373  -150.5000 0.09   -0.10  -0.01  0.02   
1 1 1 16 3  11 o 49.637  0.2313 55.322  -79.9000  2.62   -1.77  -3.35  2.02   
1 1 1 16 3  12 o 19.032  0.3926 28.806  -93.6000  -0.30  -1.70  0.22   -0.05  
1 1 1 16 3  13 o 34.967  0.6548 45.106  72.400    7.81   2.66   -1.30  -1.33  
1 1 1 16 3  14 o 56.829  0.3433 50.586  -121.8000 -3.08  1.33   -0.26  1.27   
1 1 1 16 3  15 o 29.716  0.3644 33.387  88.000    0.65   2.83   0.56   -0.50  
1 1 1 16 3  16 o 32.015  0.1679 27.006  -68.0000  0.94   -1.29  -0.61  1.12   
1 1 1 16 3  17 o 21.916  0.1495 22.490  90.700    -1.03  0.55   -1.44  0.16   
1 1 1 16 3  18 o 13.070  0.3897 15.388  -115.1000 -4.92  -2.81  -1.40  -1.61  
1 1 1 16 3  19 o 25.350  0.3095 26.649  -12.5000  1.69   -3.08  1.10   0.50   
1 1 1 16 3  20 o 10.251  0.2000 7.7398  -55.8000  0.09   -0.95  0.30   -0.13  
1 1 1 16 3  21 o 10.889  0.2093 9.9804  114.000   0.21   0.60   -0.20  -0.47  
1 1 1 16 3  22 f 10.573  0.5652 10.016  -98.6000  0.91   -0.78  0.01   0.07   
1 1 1 16 3  23 o 8.0830  0.2769 6.6567  143.600   0.32   0.28   0.21   0.08   
1 1 1 16 3  24 o 6.3840  0.3639 7.1939  51.500    -0.07  -0.02  0.00   0.00   
1 1 1 16 3  25 o 5.2137  0.5933 5.3501  -134.3000 0.13   -0.03  0.01   -0.00  
1 1 1 16 3  26 o 10.462  1.0879 ?       ?         1.64   1.67   -0.10  -0.07  
1 1 1 16 4  0  o 87.279  0.5046 80.929  -0.0000   0.32   0.00   0.00   0.00   
1 1 1 16 4  1  o 93.141  0.4319 99.001  14.800    0.34   0.36   -0.02  -0.04  
1 1 1 16 4  2  o 21.671  0.6898 14.784  -145.1000 -12.82 3.07   -6.23  3.58   
1 1 1 16 4  3  o 23.198  0.3421 12.329  -22.1000  -0.13  -0.58  0.05   -0.03  
1 1 1 16 4  4  o 52.875  0.3290 61.215  -162.4000 -1.35  -0.45  -0.28  -0.33  
1 1 1 16 4  5  o 29.572  0.6667 39.983  151.300   3.04   6.05   1.25   -1.51  
1 1 1 16 4  6  o 10.465  0.1150 16.640  -36.4000  -0.10  -0.05  -1.11  -0.27  
1 1 1 16 4  7  o 50.189  0.2405 40.787  106.600   0.40   0.74   0.09   -1.15  
1 1 1 16 4  8  o 30.583  0.4825 28.830  69.800    4.93   -3.21  -0.65  1.30   
1 1 1 16 4  9  o 10.077  0.1244 2.9901  87.100    -0.04  0.09   -0.24  0.90   
1 1 1 16 4  10 o 30.475  0.5767 35.096  66.100    -11.05 6.84   -3.29  5.25   
1 1 1 16 4  11 o 47.919  0.3979 48.620  104.300   1.57   3.53   1.16   -0.67  
1 1 1 16 4  12 o 6.5355  0.1848 7.2596  -47.0000  0.30   0.95   0.29   -0.26  
1 1 1 16 4  13 o 25.800  0.2017 33.142  145.900   -1.26  2.01   0.94   1.03   
1 1 1 16 4  14 o 19.131  0.3679 19.948  -23.4000  5.49   1.57   -1.55  -1.19  
1 1 1 16 4  15 o 12.818  0.1388 19.261  109.700   -0.41  0.25   0.07   0.55   
1 1 1 16 4  16 o 20.720  0.3519 21.229  -85.7000  1.22   -0.59  -0.07  0.14   
1 1 1 16 4  17 o 40.879  0.2676 33.696  47.000    1.29   -0.83  0.06   0.30   
1 1 1 16 4  18 o 16.329  0.1573 11.361  -150.3000 -0.77  0.03   -0.33  0.53   
1 1 1 16 4  19 o 12.715  0.3975 10.768  -58.7000  -0.16  -3.18  0.65   0.09   
1 1 1 16 4  20 o 18.051  0.1637 17.898  -69.7000  -0.14  -0.51  -0.25  -0.19  
1 1 1 16 4  21 o 9.4447  0.2113 8.1074  172.000   -0.67  -0.27  -0.23  -0.03  
1 1 1 16 4  22 o 15.388  0.1898 12.978  4.7000    -1.43  -0.38  0.21   -0.67  
1 1 1 16 4  23 o 8.8935  0.2591 8.3443  -50.0000  0.47   0.35   0.36   0.06   
1 1 1 16 4  24 o 9.4238  0.2696 9.5954  -126.8000 0.47   -0.40  0.17   -0.11  
1 1 1 16 4  25 o 14.774  0.2842 15.985  -44.1000  0.59   -1.14  0.12   -0.18  
1 1 1 16 4  26 o 11.337  0.3904 ?       ?         0.63   -0.51  -0.03  -0.06  
1 1 1 16 5  0  o 0.8944  0.3962 11.650  0.2000    0.00   0.00   0.00   0.00   
1 1 1 16 5  1  f 22.706  0.6131 11.218  179.500   -4.89  -3.27  -0.58  -1.69  
1 1 1 16 5  2  o 81.949  0.3351 68.949  -99.3000  -0.40  -0.61  -1.11  0.62   
1 1 1 16 5  3  f 23.710  0.1443 31.952  32.100    -0.17  0.04   1.34   -0.83  
1 1 1 16 5  4  o 24.230  0.1326 25.647  -113.4000 -0.44  0.04   -0.22  0.09   
1 1 1 16 5  5  o 59.543  0.6849 64.438  -162.2000 -4.44  -1.55  -0.99  -0.60  
1 1 1 16 5  6  o 50.945  0.2413 48.066  -103.4000 0.02   -0.97  0.23   -0.04  
1 1 1 16 5  7  o 67.813  0.2871 61.245  142.400   -0.41  -0.23  -0.68  0.24   
1 1 1 16 5  8  o 43.758  0.6665 51.840  -20.0000  2.55   -6.67  0.98   1.00   
1 1 1 16 5  9  o 64.599  0.7808 69.972  -144.4000 0.78   -4.76  0.51   0.25   
1 1 1 16 5  10 o 26.993  0.1412 35.271  -155.7000 -0.11  0.02   -0.02  -0.16  
1 1 1 16 5  11 o 26.628  0.4724 22.741  20.800    3.72   7.20   1.90   -2.14  
1 1 1 16 5  12 o 38.880  0.6493 40.053  -48.7000  4.87   -4.60  0.22   1.54   
1 1 1 16 5  13 o 20.815  0.1722 17.398  131.000   -0.39  2.14   1.58   0.14   
1 1 1 16 5  14 o 11.314  0.1669 15.107  64.900    0.92   -0.66  -0.18  0.35   
1 1 1 16 5  15 o 17.790  0.1456 12.723  143.100   0.22   0.09   -0.21  0.06   
1 1 1 16 5  16 o 18.831  0.1525 14.490  -111.2000 -0.04  0.03   0.00   0.00   
1 1 1 16 5  17 o 12.847  0.1680 12.349  70.100    0.31   0.18   -0.84  0.41   
1 1 1 16 5  18 o 9.0559  0.2128 9.4629  175.500   -0.85  0.44   -0.18  0.15   
1 1 1 16 5  19 o 30.143  0.1744 30.611  -131.2000 0.09   -1.74  -0.25  1.30   
1 1 1 16 5  20 o 9.5852  0.2151 8.1759  -132.2000 0.03   -0.33  0.01   0.18   
1 1 1 16 5  21 o 18.718  0.3403 17.899  -115.3000 1.48   -2.13  0.40   0.36   
1 1 1 16 5  22 o 5.6071  0.3507 4.2006  -45.8000  0.11   -0.12  0.04   -0.05  
1 1 1 16 5  23 o 11.254  0.6188 11.433  -76.9000  -1.33  -2.07  0.12   -0.13  
1 1 1 16 5  24 o 9.2760  0.2761 8.3885  -24.7000  -0.09  -0.73  0.06   0.09   
1 1 1 16 5  25 o 11.003  0.2972 11.963  -114.8000 -0.36  -0.78  0.09   0.10   
1 1 1 16 5  26 o 8.4853  0.5185 ?       ?         -0.20  -0.20  -0.01  0.00   
1 1 1 16 6  0  o 18.841  0.1579 23.624  -179.9000 -0.01  0.00   0.00   0.00   
1 1 1 16 6  1  o 20.549  0.7969 21.350  -93.3000  5.28   -3.41  -0.45  1.11   
1 1 1 16 6  2  o 24.440  0.1251 25.272  -13.3000  0.12   -0.23  1.14   -0.50  
1 1 1 16 6  3  o 31.342  0.3911 33.963  -121.4000 -2.20  0.05   -0.70  -0.07  
1 1 1 16 6  4  o 90.475  0.3665 101.738 23.600    1.12   0.32   -0.21  -0.48  
1 1 1 16 6  5  o 58.759  0.4628 56.512  55.100    7.05   -0.51  -6.13  -0.33  
1 1 1 16 6  6  o 56.902  0.3823 67.323  -151.0000 -1.17  -3.77  1.50   -0.73  
1 1 1 16 6  7  f 51.662  0.2274 46.840  -49.7000  0.35   0.23   0.03   -0.21  
1 1 1 16 6  8  o 37.734  0.6285 29.731  15.600    10.00  -0.67  -2.39  0.48   
1 1 1 16 6  9  o 51.160  0.4044 66.260  -89.2000  4.24   -0.17  -1.38  0.37   
1 1 1 16 6  10 o 37.394  0.2611 45.000  -167.4000 -1.79  2.26   0.78   1.26   
1 1 1 16 6  11 o 21.211  0.1364 25.686  124.300   -0.15  0.13   -0.03  0.04   
1 1 1 16 6  12 o 16.930  0.1938 18.206  -167.4000 -1.12  0.09   -0.36  0.15   
1 1 1 16 6  13 o 19.034  0.3409 20.158  156.600   -3.27  0.73   -0.88  0.29   
1 1 1 16 6  14 o 37.637  0.1974 36.866  -83.9000  -0.05  -0.00  0.01   0.00   
1 1 1 16 6  15 o 40.405  0.2096 33.740  28.600    -0.12  0.30   -0.17  0.05   
1 1 1 16 6  16 o 15.918  0.2166 18.824  128.200   0.21   1.87   0.67   -0.34  
1 1 1 16 6  17 o 16.643  0.1585 18.816  -21.9000  1.01   -0.28  -0.34  0.06   
1 1 1 16 6  18 o 14.087  0.4976 13.147  129.600   -3.18  1.63   -0.41  0.40   
1 1 1 16 6  19 o 13.352  0.2743 10.731  -51.7000  2.07   -0.43  -0.59  0.03   
1 1 1 16 6  20 o 28.692  0.5194 29.361  -138.0000 2.81   -1.61  0.00   0.42   
1 1 1 16 6  21 o 16.740  0.1844 18.771  -101.5000 -0.67  -0.39  -0.42  0.20   
1 1 1 16 6  22 o 9.6511  0.3251 9.6227  53.400    1.53   0.20   -0.21  -0.21  
1 1 1 16 6  23 o 8.1357  0.2852 9.0681  34.300    -0.26  0.53   -0.00  0.07   
1 1 1 16 6  24 o 6.3458  0.3290 6.3491  172.300   -0.49  -0.06  -0.03  0.12   
1 1 1 16 6  25 o 12.576  0.2918 12.040  -47.5000  0.66   -0.85  -0.13  -0.26  
1 1 1 16 6  26 o 8.7088  0.4707 ?       ?         0.14   -0.05  0.00   -0.00  
1 1 1 16 7  0  o 51.259  0.3314 59.211  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 16 7  1  o 38.461  0.1810 37.548  -15.6000  -0.06  -0.29  0.05   -0.07  
1 1 1 16 7  2  o 38.932  0.9069 42.184  -72.8000  9.13   -4.71  -1.76  2.10   
1 1 1 16 7  3  o 121.094 0.4793 108.188 -123.8000 0.55   -1.32  -1.65  1.20   
1 1 1 16 7  4  o 53.258  0.2393 43.137  98.400    0.06   0.32   -1.82  0.60   
1 1 1 16 7  5  o 47.303  0.8150 36.518  26.800    5.55   2.44   -0.85  -0.80  
1 1 1 16 7  6  o 34.620  0.4205 43.235  17.400    0.86   4.44   1.28   -0.43  
1 1 1 16 7  7  f 28.153  0.1733 28.352  129.700   -2.54  -0.80  -2.28  -2.17  
1 1 1 16 7  8  o 34.327  0.4220 40.090  100.200   -2.67  4.08   0.63   1.15   
1 1 1 16 7  9  o 39.770  0.5222 52.333  -33.3000  3.02   -3.31  -0.05  0.92   
1 1 1 16 7  10 o 35.785  0.1831 33.519  -138.5000 -1.47  0.98   0.62   2.58   
1 1 1 16 7  11 o 18.835  0.6763 13.162  -84.9000  5.83   -12.58 2.50   2.67   
1 1 1 16 7  12 o 38.516  0.5942 39.362  173.100   -2.16  0.19   -0.17  0.07   
1 1 1 16 7  13 o 18.201  0.3497 13.787  15.000    1.58   -1.18  -0.05  0.32   
1 1 1 16 7  14 o 22.537  0.6109 18.159  159.200   -7.64  7.53   -0.28  2.88   
1 1 1 16 7  15 o 32.415  0.5443 26.220  -1.7000   2.53   -1.77  -0.19  0.31   
1 1 1 16 7  16 o 29.174  0.1697 23.636  146.500   1.19   0.49   -1.05  0.06   
1 1 1 16 7  17 f 26.274  0.3225 26.240  -86.0000  1.75   -1.38  0.02   0.38   
1 1 1 16 7  18 o 10.172  0.1956 9.4015  35.800    0.19   -0.04  -0.02  0.05   
1 1 1 16 7  19 o 28.349  0.1764 25.531  -177.9000 -0.47  -0.43  -0.19  0.03   
1 1 1 16 7  20 o 14.602  0.1706 13.562  -84.5000  -0.49  0.06   -0.10  -0.12  
1 1 1 16 7  21 o 10.329  0.2200 8.6676  120.400   0.03   0.65   0.12   0.08   
1 1 1 16 7  22 o 14.825  0.2029 16.329  -133.1000 -0.40  -1.99  0.70   0.59   
1 1 1 16 7  23 o 7.4827  0.3656 6.8998  -5.6000   0.27   0.83   0.09   -0.01  
1 1 1 16 7  24 o 8.0104  0.3056 7.9382  -174.4000 -0.42  -0.52  -0.08  -0.06  
1 1 1 16 7  25 f 4.6414  0.5746 2.5980  -36.8000  0.03   -0.11  -0.00  -0.01  
1 1 1 16 7  26 o 12.505  0.4567 ?       ?         0.79   -1.39  -0.16  -0.05  
1 1 1 16 8  0  o 73.490  0.4376 76.939  180.000   -0.11  0.00   0.00   0.00   
1 1 1 16 8  1  o 21.668  0.3910 23.647  4.8000    -1.64  -2.53  0.38   -1.11  
1 1 1 16 8  2  o 89.725  0.3635 101.882 28.100    0.36   0.45   0.77   0.74   
1 1 1 16 8  3  o 84.573  0.3453 88.446  168.300   0.22   0.25   0.35   0.20   
1 1 1 16 8  4  o 12.475  0.2523 4.1112  -96.6000  0.90   1.31   0.27   -0.60  
1 1 1 16 8  5  o 29.606  0.5484 21.816  -79.0000  -2.75  -4.64  0.58   -0.96  
1 1 1 16 8  6  o 14.386  0.3112 3.2629  6.0000    -0.15  -2.19  0.48   -0.05  
1 1 1 16 8  7  o 43.384  0.6974 41.091  -126.8000 -2.61  -11.65 3.90   -1.51  
1 1 1 16 8  8  o 18.050  0.3033 15.891  157.200   0.56   4.04   1.61   -0.56  
1 1 1 16 8  9  o 32.413  0.1825 36.152  162.200   -0.64  -0.51  2.90   -1.63  
1 1 1 16 8  10 o 10.505  0.1608 5.2686  19.900    0.50   -1.88  0.99   0.70   
1 1 1 16 8  11 o 14.728  0.7234 9.8387  -87.5000  -3.17  -12.80 2.20   -1.26  
1 1 1 16 8  12 o 7.0600  0.1679 9.3238  -136.0000 0.31   -1.02  0.85   0.38   
1 1 1 16 8  13 o 19.544  0.1674 10.357  -174.2000 0.01   -1.42  2.59   -2.25  
1 1 1 16 8  14 o 27.177  0.5371 29.152  161.700   -4.39  4.99   0.32   1.33   
1 1 1 16 8  15 o 15.717  0.5410 15.814  164.700   -1.91  -4.78  0.55   -0.62  
1 1 1 16 8  16 o 16.321  0.7727 13.646  93.400    6.33   3.56   -0.41  -0.80  
1 1 1 16 8  17 o 9.0802  0.2322 7.5689  -129.7000 0.10   0.10   0.09   0.41   
1 1 1 16 8  18 o 21.976  0.2084 22.273  61.000    1.16   -1.51  0.57   0.53   
1 1 1 16 8  19 o 11.382  0.2259 8.7879  -178.5000 0.43   -0.19  -0.01  0.11   
1 1 1 16 8  20 f 11.250  0.2074 9.9795  -128.4000 -0.71  -0.67  1.94   0.44   
1 1 1 16 8  21 o 5.9367  0.3064 7.0960  21.500    0.04   -0.08  -0.02  -0.03  
1 1 1 16 8  22 o 14.425  0.4434 14.271  -26.6000  -0.33  -4.46  0.91   -0.71  
1 1 1 16 8  23 o 12.431  0.2094 12.049  94.100    -0.21  0.72   0.09   -0.09  
1 1 1 16 8  24 o 3.2944  0.6066 3.1653  151.800   0.00   -0.04  -0.00  -0.00  
1 1 1 16 8  25 o 6.3316  0.4950 6.4828  -57.6000  0.12   -0.28  0.00   -0.03  
1 1 1 16 8  26 o 8.1163  0.7452 ?       ?         -0.34  -0.04  0.00   -0.00  
1 1 1 16 9  0  o 11.216  0.1452 2.5203  179.200   0.03   0.00   0.00   0.00   
1 1 1 16 9  1  o 45.303  0.6752 25.996  -108.5000 -15.45 -0.64  -10.86 0.02   
1 1 1 16 9  2  o 76.906  0.5941 95.235  81.800    -0.90  -0.30  -0.05  -0.05  
1 1 1 16 9  3  o 98.983  1.2505 109.705 -6.8000   5.64   -7.20  0.75   1.72   
1 1 1 16 9  4  o 41.702  0.4781 29.954  158.600   -6.05  -2.26  -2.67  -2.91  
1 1 1 16 9  5  o 77.158  0.3212 87.374  106.700   -1.32  0.87   -0.48  0.47   
1 1 1 16 9  6  o 123.042 0.5413 116.533 -69.7000  3.32   -2.06  -1.58  0.98   
1 1 1 16 9  7  o 23.322  0.1347 31.211  146.500   -0.60  -0.36  -0.15  -0.49  
1 1 1 16 9  8  o 24.236  0.2167 19.048  -164.3000 -0.40  0.06   -0.02  0.01   
1 1 1 16 9  9  o 17.545  0.4608 19.466  29.300    6.85   2.31   -1.99  -1.34  
1 1 1 16 9  10 o 8.6019  0.2944 9.4023  -139.2000 -2.06  0.26   -0.40  0.09   
1 1 1 16 9  11 o 19.851  0.1395 38.046  -169.8000 -0.10  -0.68  1.65   0.78   
1 1 1 16 9  12 o 15.209  0.3763 18.786  44.400    2.11   2.76   0.33   -0.86  
1 1 1 16 9  13 o 27.438  0.1860 29.259  -35.5000  -0.01  -0.05  0.00   -0.00  
1 1 1 16 9  14 o 34.580  0.6984 22.401  -78.6000  3.65   -4.26  0.17   0.60   
1 1 1 16 9  15 o 30.044  0.4876 24.759  4.3000    5.62   -2.72  -0.76  1.41   
1 1 1 16 9  16 o 37.295  0.3470 39.750  -135.4000 -1.05  0.65   -0.00  0.13   
1 1 1 16 9  17 o 37.075  0.2036 34.856  -28.5000  0.87   -0.61  -0.53  -0.41  
1 1 1 16 9  18 o 3.5493  0.4093 2.1515  161.100   -0.24  -0.25  0.00   -0.02  
1 1 1 16 9  19 o 13.095  0.1884 11.744  -44.0000  -0.02  -0.91  0.21   -0.27  
1 1 1 16 9  20 o 12.112  0.3879 11.955  -149.1000 -2.94  -0.05  -0.62  0.20   
1 1 1 16 9  21 o 10.321  0.2172 9.7818  -126.9000 0.62   -0.40  -0.13  0.07   
1 1 1 16 9  22 o 6.0880  0.3335 7.5814  -66.2000  -0.17  -0.07  -0.02  0.06   
1 1 1 16 9  23 o 20.020  0.2578 20.102  -74.6000  0.99   -1.52  -0.35  0.15   
1 1 1 16 9  24 o 14.507  0.2668 15.326  109.500   -0.16  0.55   -0.01  0.04   
1 1 1 16 9  25 o 14.213  0.5147 16.410  111.100   -1.64  2.53   0.37   0.08   
1 1 1 16 9  26 f 17.938  0.4479 ?       ?         2.00   -1.71  -0.04  -0.21  
1 1 1 16 10 0  f 44.607  0.3249 17.602  0.0000    -0.04  0.00   0.00   0.00   
1 1 1 16 10 1  o 33.852  0.4223 21.331  -116.1000 -1.85  -2.64  0.49   -1.03  
1 1 1 16 10 2  o 25.937  1.5469 36.509  -154.6000 -30.05 -7.95  -5.81  -3.44  
1 1 1 16 10 3  o 43.768  0.5974 47.942  -174.7000 -7.82  -0.72  -3.43  -0.33  
1 1 1 16 10 4  o 32.077  0.6595 47.354  -154.6000 -6.36  -5.40  -0.22  -1.72  
1 1 1 16 10 5  o 24.811  0.5372 16.191  -145.0000 8.23   -8.36  0.24   4.89   
1 1 1 16 10 6  o 51.460  0.2499 46.403  155.100   0.05   0.01   0.04   -0.00  
1 1 1 16 10 7  o 58.301  0.3663 66.709  -54.0000  -1.86  -4.37  2.30   -1.55  
1 1 1 16 10 8  o 53.525  0.6884 47.303  23.300    9.16   5.57   -1.17  -3.11  
1 1 1 16 10 9  o 55.701  0.2493 44.259  -131.6000 0.62   -2.28  0.72   1.45   
1 1 1 16 10 10 o 13.937  0.3602 12.664  -31.1000  6.11   1.02   -2.32  -0.96  
1 1 1 16 10 11 o 32.763  0.2985 38.733  71.100    1.33   1.42   0.12   -0.40  
1 1 1 16 10 12 o 15.435  0.4939 18.062  32.600    4.42   -1.69  -0.70  0.74   
1 1 1 16 10 13 o 38.708  0.3081 29.566  -70.9000  -1.29  -1.07  -0.26  -0.34  
1 1 1 16 10 14 o 38.723  0.4320 41.817  -60.8000  0.65   -0.90  -0.00  0.09   
1 1 1 16 10 15 o 36.374  0.2032 37.496  -118.7000 0.77   -0.20  -0.00  0.50   
1 1 1 16 10 16 o 15.631  0.1542 14.356  -77.8000  -0.27  -1.19  1.06   0.06   
1 1 1 16 10 17 o 26.865  0.1652 30.492  -63.6000  0.62   -0.57  0.31   0.21   
1 1 1 16 10 18 o 22.022  0.1741 19.042  -103.8000 -0.11  -0.35  -0.04  -0.10  
1 1 1 16 10 19 o 10.868  0.2685 10.928  -114.9000 -0.59  -0.87  0.14   -0.13  
1 1 1 16 10 20 o 4.7500  0.3509 3.1452  -60.0000  -0.09  -0.24  -0.01  -0.10  
1 1 1 16 10 21 o 8.4185  0.2740 7.6351  -162.3000 0.38   -0.74  -0.01  0.25   
1 1 1 16 10 22 o 15.305  0.4700 16.835  98.600    -3.89  1.78   -0.08  1.03   
1 1 1 16 10 23 o 7.4070  0.3233 6.2777  -148.5000 -0.34  -0.06  0.06   -0.06  
1 1 1 16 10 24 o 9.7562  0.4258 10.677  -45.4000  0.84   0.72   -0.10  -0.06  
1 1 1 16 10 25 o 8.7472  0.3682 9.7857  134.900   -0.44  0.84   0.11   -0.18  
1 1 1 16 10 26 o 8.9308  0.5767 ?       ?         0.04   0.59   -0.02  0.02   
1 1 1 16 11 0  o 127.683 0.8376 135.683 -180.0000 -0.06  0.00   0.00   0.00   
1 1 1 16 11 1  o 60.869  0.5506 62.134  75.300    3.60   -1.88  -1.07  1.05   
1 1 1 16 11 2  o 39.843  0.6576 57.565  -156.1000 -5.35  -3.75  -0.52  -1.80  
1 1 1 16 11 3  o 86.060  0.6219 88.757  73.900    2.25   2.80   -0.06  -1.07  
1 1 1 16 11 4  o 34.856  0.1624 39.139  61.700    0.05   0.24   0.18   -0.67  
1 1 1 16 11 5  o 59.964  0.2583 35.321  152.400   -0.26  1.39   0.71   0.04   
1 1 1 16 11 6  o 91.511  0.3893 110.416 137.700   -2.05  1.30   -0.69  0.56   
1 1 1 16 11 7  o 34.424  0.5860 35.862  -64.3000  0.73   -8.86  2.16   0.22   
1 1 1 16 11 8  o 29.962  0.5907 24.123  36.500    3.18   4.10   0.25   -0.73  
1 1 1 16 11 9  o 20.201  0.1646 19.361  -109.8000 -1.02  0.92   -1.68  2.84   
1 1 1 16 11 10 o 37.148  0.1868 40.602  -0.7000   -0.03  0.80   0.45   0.96   
1 1 1 16 11 11 o 27.756  0.1778 28.224  71.200    0.49   0.18   -0.04  -0.09  
1 1 1 16 11 12 o 15.156  0.3518 13.100  -176.0000 -2.38  -2.37  0.13   -1.09  
1 1 1 16 11 13 o 26.066  0.1929 30.108  25.400    -0.02  -0.25  -0.27  0.26   
1 1 1 16 11 14 o 11.102  0.5640 8.3459  160.400   -6.23  4.88   -0.38  2.14   
1 1 1 16 11 15 o 28.399  0.4659 27.427  -151.2000 -2.15  -4.69  1.01   -0.80  
1 1 1 16 11 16 o 12.159  0.1715 14.603  -48.9000  0.82   -1.55  0.31   0.89   
1 1 1 16 11 17 o 48.627  0.2313 46.251  145.900   0.03   0.76   -0.19  -0.14  
1 1 1 16 11 18 o 7.5817  0.2694 9.9615  82.400    -0.01  1.25   0.24   0.06   
1 1 1 16 11 19 o 7.4423  0.2377 7.9429  14.400    -0.34  -0.60  -0.01  -0.23  
1 1 1 16 11 20 o 16.609  0.1797 14.201  -109.7000 -0.51  -1.60  0.05   -0.76  
1 1 1 16 11 21 f 16.632  0.3732 19.318  2.4000    1.50   -1.32  -0.15  0.23   
1 1 1 16 11 22 o 7.1765  0.3130 4.5710  -29.5000  0.43   0.11   -0.04  0.01   
1 1 1 16 11 23 o 10.991  0.2290 10.317  -118.1000 -0.23  -0.69  -0.18  -0.14  
1 1 1 16 11 24 o 11.600  0.2827 12.287  -98.4000  0.20   0.59   -0.07  -0.05  
1 1 1 16 11 25 o 4.7100  0.7374 6.5513  13.800    0.33   0.70   0.06   0.00   
1 1 1 16 11 26 o 3.6022  1.2050 ?       ?         -0.18  0.28   -0.01  -0.02  
1 1 1 16 12 0  o 154.515 0.9925 130.413 -0.0000   0.56   0.00   0.00   0.00   
1 1 1 16 12 1  o 70.146  0.3183 69.630  140.000   -1.06  -0.44  -0.17  -0.64  
1 1 1 16 12 2  o 45.244  0.3709 36.083  -120.2000 3.95   -4.58  -0.00  5.21   
1 1 1 16 12 3  o 68.710  0.3712 62.758  125.600   -1.07  2.56   0.88   0.55   
1 1 1 16 12 4  o 59.943  0.9474 70.330  -98.2000  -3.93  -8.84  1.26   -1.21  
1 1 1 16 12 5  o 42.089  0.3765 21.724  -21.9000  -0.48  -0.87  0.05   -0.06  
1 1 1 16 12 6  o 111.390 0.4578 107.050 -59.0000  -0.42  -1.64  0.04   -1.00  
1 1 1 16 12 7  o 33.556  0.1764 16.344  -25.8000  -0.12  -1.45  1.56   -0.86  
1 1 1 16 12 8  o 55.379  0.2483 47.259  -124.2000 -0.59  0.12   -0.05  0.07   
1 1 1 16 12 9  o 35.329  0.3016 34.759  80.800    -0.01  2.04   0.44   0.10   
1 1 1 16 12 10 o 28.417  0.6761 22.386  120.100   -15.44 8.09   -3.64  4.47   
1 1 1 16 12 11 o 36.378  0.5213 32.770  -97.9000  -1.30  -2.66  0.32   -0.27  
1 1 1 16 12 12 o 50.277  0.2502 54.323  -43.1000  0.79   0.22   0.28   -0.55  
1 1 1 16 12 13 o 12.672  0.1526 10.994  127.600   -0.72  -0.09  -0.31  -0.00  
1 1 1 16 12 14 o 8.3625  0.2977 10.748  66.700    0.81   0.41   -0.05  -0.09  
1 1 1 16 12 15 o 7.8759  0.1961 7.1644  19.200    -0.18  -0.12  -0.00  -0.05  
1 1 1 16 12 16 o 12.914  0.1642 9.7322  -81.6000  -0.31  -0.18  0.25   -0.43  
1 1 1 16 12 17 o 30.499  0.4790 31.195  -154.2000 -5.73  2.01   -0.86  1.39   
1 1 1 16 12 18 o 12.899  0.2051 9.3056  -174.4000 -0.32  0.12   0.34   0.18   
1 1 1 16 12 19 o 37.390  0.1987 37.527  109.000   -0.54  1.27   -0.46  -0.07  
1 1 1 16 12 20 o 13.735  0.3113 12.616  -130.8000 -1.58  -1.34  -0.27  -0.37  
1 1 1 16 12 21 o 17.758  0.2558 18.691  168.800   -0.40  0.84   -0.05  0.13   
1 1 1 16 12 22 o 3.9495  0.4811 3.1189  79.600    -0.74  -0.35  -0.01  -0.16  
1 1 1 16 12 23 o 12.077  0.4339 11.942  79.000    -0.95  1.98   -0.00  0.30   
1 1 1 16 12 24 f 8.6101  0.4528 10.057  146.500   -0.29  0.76   0.06   -0.01  
1 1 1 16 12 25 o 6.1956  0.4847 5.1624  -174.3000 -0.13  0.08   -0.00  -0.00  
1 1 1 16 12 26 o 9.8282  0.4878 ?       ?         -0.37  -0.34  0.00   0.02   
1 1 1 16 13 0  o 16.016  0.2004 36.427  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 16 13 1  o 125.067 0.5938 135.389 171.700   -1.95  -1.02  0.21   -0.81  
1 1 1 16 13 2  o 16.706  0.1564 13.743  -75.3000  1.41   -0.74  -0.48  0.81   
1 1 1 16 13 3  o 53.864  0.2308 67.750  113.100   -0.68  0.06   -1.41  -1.34  
1 1 1 16 13 4  o 16.028  0.1602 15.995  50.400    1.96   -1.23  -1.72  2.87   
1 1 1 16 13 5  o 42.481  0.5554 41.328  89.100    2.45   3.13   0.22   -0.65  
1 1 1 16 13 6  f 30.175  0.5420 25.181  23.700    12.40  2.29   -4.21  -1.36  
1 1 1 16 13 7  o 28.422  0.1710 16.716  -114.9000 -2.01  0.21   -3.60  2.04   
1 1 1 16 13 8  o 39.067  0.2698 35.285  94.300    -1.23  0.20   -0.22  0.16   
1 1 1 16 13 9  o 12.484  0.1314 23.987  -143.0000 -0.04  0.24   0.17   0.19   
1 1 1 16 13 10 o 14.643  0.1899 24.959  108.000   -1.35  -0.78  -0.34  -0.44  
1 1 1 16 13 11 o 29.709  0.7948 43.738  58.300    3.97   5.47   0.34   -0.77  
1 1 1 16 13 12 o 30.602  1.1458 26.045  130.300   -13.32 -0.82  -1.58  -0.33  
1 1 1 16 13 13 o 14.311  0.5554 14.177  -46.1000  3.70   -6.07  0.51   1.11   
1 1 1 16 13 14 o 25.142  0.2247 35.999  -86.2000  1.75   -1.33  -0.62  0.83   
1 1 1 16 13 15 o 14.788  0.5348 10.084  114.000   -4.86  1.62   -0.83  0.50   
1 1 1 16 13 16 o 16.114  0.1560 15.569  -54.6000  0.21   -0.10  0.27   0.15   
1 1 1 16 13 17 o 17.190  0.1536 17.422  34.300    -0.27  0.22   -0.14  0.04   
1 1 1 16 13 18 o 16.220  0.1615 16.352  -22.4000  0.99   0.14   -0.10  -0.80  
1 1 1 16 13 19 o 12.032  0.4414 11.078  104.200   0.39   0.67   0.01   -0.03  
1 1 1 16 13 20 o 27.785  0.2275 25.956  41.700    0.58   0.38   -0.07  -0.00  
1 1 1 16 13 21 o 20.456  0.4552 19.611  63.300    1.76   3.02   0.68   -0.23  
1 1 1 16 13 22 f 7.8480  0.2875 6.2862  170.600   -0.45  0.55   0.17   0.06   
1 1 1 16 13 23 o 5.2959  0.4199 5.0471  132.700   -0.21  -0.29  -0.01  -0.02  
1 1 1 16 13 24 o 5.4355  0.4702 6.1041  -29.3000  0.34   0.01   -0.01  -0.02  
1 1 1 16 13 25 o 10.448  0.3503 10.732  42.700    -0.29  0.81   -0.08  -0.14  
1 1 1 16 13 26 o 2.4147  1.4237 ?       ?         0.12   0.32   -0.02  -0.01  
1 1 1 16 14 0  o 28.745  0.3114 19.299  0.0000    0.08   0.00   0.00   0.00   
1 1 1 16 14 1  o 19.794  1.1569 16.062  163.300   -12.57 21.69  2.32   4.18   
1 1 1 16 14 2  o 40.839  0.2215 33.376  -39.8000  2.50   0.86   -1.52  -0.84  
1 1 1 16 14 3  o 62.900  0.9458 55.545  -42.1000  11.16  -5.83  -1.50  2.55   
1 1 1 16 14 4  o 92.855  0.3761 91.152  66.800    0.29   0.21   0.17   -0.05  
1 1 1 16 14 5  o 56.492  1.7132 62.230  -164.4000 -45.11 -9.13  -10.06 -3.76  
1 1 1 16 14 6  o 53.440  0.2569 50.620  -115.1000 0.52   -0.45  -0.90  0.33   
1 1 1 16 14 7  o 29.598  0.3651 22.140  -28.9000  5.22   1.57   -2.12  -2.02  
1 1 1 16 14 8  o 28.343  0.8642 38.185  81.900    1.54   10.79  1.72   -0.62  
1 1 1 16 14 9  o 8.1444  0.1336 4.9132  114.700   0.48   0.29   -0.17  -0.24  
1 1 1 16 14 10 o 16.229  0.1667 10.905  57.300    -0.53  0.52   -0.53  0.99   
1 1 1 16 14 11 o 4.8426  0.4187 4.7025  -8.4000   -3.14  0.29   -0.72  0.11   
1 1 1 16 14 12 o 41.795  0.7814 36.707  -60.0000  5.07   -2.57  -0.54  0.50   
1 1 1 16 14 13 o 7.4213  0.2024 7.5210  135.000   -2.33  -0.34  -1.72  -0.73  
1 1 1 16 14 14 o 13.123  0.1459 12.607  137.500   0.01   -0.73  0.30   -0.08  
1 1 1 16 14 15 f 5.5929  0.2429 5.2998  -173.4000 0.23   -0.32  -0.06  0.49   
1 1 1 16 14 16 o 17.677  0.4468 21.794  -179.7000 -3.61  -2.00  -0.26  -0.57  
1 1 1 16 14 17 o 11.712  0.2096 9.4278  -156.1000 0.32   -0.66  0.04   0.12   
1 1 1 16 14 18 o 20.363  0.1634 21.437  102.700   -0.65  0.54   -0.31  -1.07  
1 1 1 16 14 19 o 21.155  0.3355 20.305  -152.6000 1.05   -1.56  -0.06  0.29   
1 1 1 16 14 20 o 19.518  0.2089 19.509  2.7000    2.21   1.77   0.85   -1.21  
1 1 1 16 14 21 o 12.221  0.2128 10.718  60.800    0.18   0.53   -0.00  -0.08  
1 1 1 16 14 22 o 12.543  0.2045 11.937  -107.9000 -0.90  -0.39  -0.24  0.51   
1 1 1 16 14 23 o 3.8820  0.4955 5.0257  -103.8000 0.08   0.12   -0.01  -0.01  
1 1 1 16 14 24 o 18.370  0.2153 19.434  -73.3000  1.60   -1.16  -0.26  -0.33  
1 1 1 16 14 25 o 12.730  0.2886 ?       ?         2.30   -1.65  0.69   -0.29  
1 1 1 16 14 26 o 9.0314  0.4851 ?       ?         0.00   -0.15  -0.00  -0.00  
1 1 1 16 15 0  o 16.426  0.3311 18.376  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 16 15 1  o 46.616  0.7914 25.146  -149.0000 -7.73  0.63   -1.74  0.15   
1 1 1 16 15 2  o 42.921  0.1931 28.086  -8.4000   0.85   2.27   1.75   -1.00  
1 1 1 16 15 3  o 62.327  0.2613 73.002  -143.0000 -2.57  2.13   1.12   4.53   
1 1 1 16 15 4  o 55.866  0.4292 67.511  165.500   -3.77  -1.22  -0.84  -0.84  
1 1 1 16 15 5  o 11.176  0.1223 26.736  -164.8000 0.05   0.22   0.02   -0.01  
1 1 1 16 15 6  o 49.042  0.2751 27.746  -152.0000 0.10   -2.58  1.56   0.73   
1 1 1 16 15 7  o 21.191  0.1323 17.991  113.600   0.08   -0.29  0.90   -0.78  
1 1 1 16 15 8  o 18.213  0.4701 2.1582  31.300    13.87  3.49   -6.70  -4.20  
1 1 1 16 15 9  o 26.158  0.6483 25.437  7.4000    7.57   -4.10  -0.93  1.21   
1 1 1 16 15 10 o 43.725  0.5626 46.518  138.800   0.11   0.60   0.02   -0.00  
1 1 1 16 15 11 o 62.434  0.7240 71.091  19.700    -4.07  5.92   0.03   1.56   
1 1 1 16 15 12 f 26.716  0.1876 28.717  8.2000    -0.41  0.29   1.18   -0.64  
1 1 1 16 15 13 o 42.559  0.2121 40.182  174.700   -0.13  -1.27  0.34   0.22   
1 1 1 16 15 14 o 27.698  0.2029 21.423  60.100    -0.08  -0.03  0.03   0.01   
1 1 1 16 15 15 o 13.321  0.1609 14.820  88.900    -0.92  0.03   -0.65  0.42   
1 1 1 16 15 16 o 21.923  0.2675 18.622  74.300    -2.94  2.70   -0.71  1.66   
1 1 1 16 15 17 o 11.258  0.1936 10.149  -10.8000  0.49   -0.80  0.23   0.19   
1 1 1 16 15 18 o 5.9724  0.3989 6.7937  66.600    1.07   0.14   -0.11  -0.01  
1 1 1 16 15 19 o 5.1177  0.3815 5.4727  -6.3000   0.33   -0.20  -0.00  0.02   
1 1 1 16 15 20 o 6.1145  0.3294 6.9440  -136.1000 -0.03  -0.38  0.07   0.34   
1 1 1 16 15 21 o 6.8945  0.3060 4.0050  179.600   -0.14  0.55   -0.01  0.19   
1 1 1 16 15 22 o 14.562  0.1895 14.756  -54.6000  0.38   -0.70  0.00   -0.40  
1 1 1 16 15 23 o 7.1833  0.3173 7.4387  126.900   -0.46  0.46   -0.13  0.03   
1 1 1 16 15 24 o 7.0008  0.3945 8.2311  -124.8000 -0.16  -0.69  -0.22  0.04   
1 1 1 16 15 25 o 7.6964  0.6978 ?       ?         -0.77  0.02   -0.01  0.03   
1 1 1 16 15 26 o 7.6889  0.6194 ?       ?         0.31   -0.30  -0.00  -0.01  
1 1 1 16 16 0  o 110.156 1.3257 152.917 180.000   0.41   0.00   0.00   0.00   
1 1 1 16 16 1  o 13.678  0.3248 3.1690  89.800    0.00   0.00   0.00   0.00   
1 1 1 16 16 2  o 28.268  0.2211 30.749  180.000   -0.01  0.00   0.00   0.00   
1 1 1 16 16 3  o 41.335  0.2954 33.457  -90.1000  0.00   0.11   0.00   0.00   
1 1 1 16 16 4  o 35.321  0.2446 39.439  180.000   -0.09  0.00   0.00   0.00   
1 1 1 16 16 5  o 47.525  0.3052 33.117  -90.0000  -0.00  -0.26  0.00   0.00   
1 1 1 16 16 6  o 2.7203  0.3115 6.2514  0.1000    0.01   0.00   0.00   0.00   
1 1 1 16 16 7  o 64.342  0.4031 62.010  -90.0000  -0.00  -0.30  0.00   0.00   
1 1 1 16 16 8  o 15.473  0.2073 2.5103  179.400   -0.15  0.00   0.00   0.00   
1 1 1 16 16 9  o 15.723  0.2381 3.4464  90.800    0.00   0.18   0.00   0.00   
1 1 1 16 16 10 o 20.241  0.1981 10.490  0.1000    -0.29  0.00   0.00   0.00   
1 1 1 16 16 11 o 18.390  0.2176 11.731  -90.3000  0.00   0.07   0.00   0.00   
1 1 1 16 16 12 o 29.384  0.2714 28.902  0.1000    -0.06  0.00   0.00   0.00   
1 1 1 16 16 13 o 7.0993  0.3614 11.161  -90.3000  -0.00  -0.04  0.00   0.00   
1 1 1 16 16 14 f 19.955  0.1960 17.101  179.900   -0.03  0.00   0.00   0.00   
1 1 1 16 16 15 o 13.936  0.2398 10.160  -90.3000  -0.00  -0.03  0.00   0.00   
1 1 1 16 16 16 o 20.928  0.3038 14.169  0.0000    0.39   0.00   0.00   0.00   
1 1 1 16 16 17 o 25.405  0.2379 21.210  90.100    0.00   0.09   0.00   0.00   
1 1 1 16 16 18 o 4.1352  0.5127 3.3398  0.1000    0.06   0.00   0.00   0.00   
1 1 1 16 16 19 o 31.740  0.3259 34.112  90.000    -0.00  -0.09  0.00   0.00   
1 1 1 16 16 20 o 20.206  0.2469 19.890  180.000   -0.36  0.00   0.00   0.00   
1 1 1 16 16 21 o 22.795  0.3094 23.600  -90.0000  -0.00  -0.22  0.00   0.00   
1 1 1 16 16 22 o 11.576  0.3152 13.713  0.0000    0.05   0.00   0.00   0.00   
1 1 1 16 16 23 o 6.3640  0.5011 3.6200  -90.0000  0.00   0.17   0.00   0.00   
1 1 1 16 16 24 o 8.6603  0.4495 5.9057  0.0000    0.79   0.00   0.00   0.00   
1 1 1 16 16 25 o 5.0498  0.9447 ?       ?         -0.00  -0.23  0.00   0.00   
1 1 1 17 0  1  o 26.599  0.2144 2.1872  44.400    0.10   0.10   0.00   0.00   
1 1 1 17 0  2  o 5.1962  0.1767 7.5880  -180.0000 0.00   0.00   0.00   0.00   
1 1 1 17 0  3  o 116.196 0.6717 111.180 -45.0000  -0.33  0.33   0.00   0.00   
1 1 1 17 0  4  o 25.650  0.2929 20.616  -89.9000  -0.00  -0.04  0.00   0.00   
1 1 1 17 0  5  o 27.740  0.2465 19.763  45.000    -0.07  -0.07  0.00   0.00   
1 1 1 17 0  6  o 55.520  0.3872 41.002  180.000   -0.07  0.00   0.00   0.00   
1 1 1 17 0  7  o 80.440  0.4862 82.919  -45.0000  0.21   -0.21  0.00   0.00   
1 1 1 17 0  8  o 98.467  0.5640 93.729  90.000    0.00   0.15   0.00   0.00   
1 1 1 17 0  9  o 68.719  0.4209 58.180  45.000    0.13   0.13   0.00   0.00   
1 1 1 17 0  10 o 62.069  0.3946 47.982  180.000   -0.44  0.00   0.00   0.00   
1 1 1 17 0  11 o 46.870  0.3126 39.916  -45.0000  0.23   -0.23  0.00   0.00   
1 1 1 17 0  12 o 7.2732  0.2395 4.3188  -89.7000  0.00   0.01   0.00   0.00   
1 1 1 17 0  13 o 18.248  0.1898 9.8430  -135.2000 -0.05  -0.05  0.00   0.00   
1 1 1 17 0  14 o 25.286  0.2137 27.221  0.1000    0.20   0.00   0.00   0.00   
1 1 1 17 0  15 o 2.1909  0.6331 2.2298  135.200   0.00   -0.00  0.00   0.00   
1 1 1 17 0  16 o 3.1145  0.5169 8.8280  -89.8000  -0.00  -0.00  0.00   0.00   
1 1 1 17 0  17 o 6.4109  0.3472 1.5597  -135.6000 -0.05  -0.05  0.00   0.00   
1 1 1 17 0  18 o 13.762  0.2672 10.002  179.900   -0.01  0.00   0.00   0.00   
1 1 1 17 0  19 o 24.168  0.2315 18.898  135.000   -0.58  0.58   0.00   0.00   
1 1 1 17 0  20 o 6.3482  0.3784 7.0067  90.000    -0.00  -0.09  0.00   0.00   
1 1 1 17 0  21 o 8.8994  0.3407 5.1668  -135.0000 0.10   0.10   0.00   0.00   
1 1 1 17 0  22 o 37.482  0.2951 34.409  180.000   -0.19  0.00   0.00   0.00   
1 1 1 17 0  23 o 3.5637  0.6640 3.0754  -45.0000  -0.00  0.00   0.00   0.00   
1 1 1 17 0  24 o 4.6690  0.6520 5.2526  90.000    0.00   0.02   0.00   0.00   
1 1 1 17 0  25 o 19.181  0.4308 20.332  -135.0000 0.12   0.12   0.00   0.00   
1 1 1 17 0  26 o 4.2895  0.9372 ?       ?         0.20   0.00   0.00   0.00   
1 1 1 17 1  0  o 45.931  0.2856 23.716  -0.0000   0.06   0.00   0.00   0.00   
1 1 1 17 1  1  o 30.820  0.2061 23.412  111.300   0.08   1.52   1.06   -0.41  
1 1 1 17 1  2  o 48.581  1.2211 34.534  -122.6000 -8.00  -8.89  0.06   -2.23  
1 1 1 17 1  3  o 81.608  0.7111 64.638  49.300    3.25   0.23   -0.62  -0.31  
1 1 1 17 1  4  o 48.024  0.3837 53.343  -178.1000 -0.38  0.13   -0.02  0.01   
1 1 1 17 1  5  o 27.860  0.2609 20.667  -131.6000 -0.55  3.03   2.45   1.29   
1 1 1 17 1  6  o 68.739  0.3102 35.391  0.1000    0.28   -0.91  0.16   0.23   
1 1 1 17 1  7  f 32.045  0.3538 35.968  130.900   -7.81  -1.51  -4.38  -2.11  
1 1 1 17 1  8  o 23.887  0.3068 21.876  -97.8000  0.69   -4.95  2.31   0.79   
1 1 1 17 1  9  o 30.204  0.7108 19.704  22.700    10.26  4.25   -1.40  -1.52  
1 1 1 17 1  10 f 39.979  0.3647 38.183  123.400   0.02   6.11   3.53   -0.79  
1 1 1 17 1  11 o 19.934  0.1325 19.314  -176.6000 -1.08  -0.74  -0.45  -0.65  
1 1 1 17 1  12 o 22.406  0.6684 14.533  158.100   -6.87  3.70   -0.94  1.19   
1 1 1 17 1  13 o 34.998  0.4744 27.776  -38.1000  -0.99  -8.56  3.57   -0.18  
1 1 1 17 1  14 o 29.395  0.3946 25.916  40.700    2.62   1.39   -0.22  -0.46  
1 1 1 17 1  15 o 14.419  0.1679 16.433  -149.8000 -0.50  0.85   0.69   0.52   
1 1 1 17 1  16 o 9.9721  0.1804 4.8544  -28.3000  -0.31  -0.08  -0.08  -0.02  
1 1 1 17 1  17 o 39.077  0.4390 40.433  -137.7000 -5.21  1.47   -1.44  0.26   
1 1 1 17 1  18 o 28.394  0.2150 27.460  -66.7000  0.15   0.13   0.00   -0.01  
1 1 1 17 1  19 o 19.834  0.1641 18.570  25.700    0.08   -0.22  -0.10  -0.01  
1 1 1 17 1  20 o 21.614  0.2153 22.408  110.800   -0.02  0.21   0.01   -0.00  
1 1 1 17 1  21 o 12.703  0.5305 11.950  -21.4000  2.89   -1.50  -0.30  0.26   
1 1 1 17 1  22 o 19.188  0.1967 16.693  -26.7000  0.53   -0.23  0.03   -0.15  
1 1 1 17 1  23 o 8.1898  0.2649 6.9433  3.5000    0.21   0.54   -0.40  -0.12  
1 1 1 17 1  24 o 16.366  0.2116 16.602  -75.3000  -0.32  0.64   -0.07  -0.11  
1 1 1 17 1  25 o 3.4162  0.7273 3.3919  -50.1000  -0.06  -0.18  -0.01  -0.01  
1 1 1 17 1  26 o 6.9569  0.5038 ?       ?         0.98   -0.54  -0.11  -0.10  
1 1 1 17 2  0  o 5.5227  0.1412 7.7807  0.2000    -0.01  0.00   0.00   0.00   
1 1 1 17 2  1  o 23.480  1.0901 14.979  -147.5000 3.32   -14.19 3.25   1.46   
1 1 1 17 2  2  o 20.041  0.4197 42.721  55.300    -2.48  0.43   -0.68  0.31   
1 1 1 17 2  3  o 34.767  1.0555 23.201  129.000   -7.10  5.36   -0.49  1.41   
1 1 1 17 2  4  o 49.816  0.7759 47.544  86.400    -2.83  5.59   0.74   1.20   
1 1 1 17 2  5  o 54.484  0.4254 58.176  109.800   2.05   2.69   0.14   -1.43  
1 1 1 17 2  6  o 57.848  0.2453 66.449  -1.3000   0.65   -0.52  -0.20  0.31   
1 1 1 17 2  7  o 39.249  0.9416 43.489  31.400    13.27  10.96  -0.55  -3.52  
1 1 1 17 2  8  o 24.325  0.7430 20.662  110.600   -12.11 15.86  1.62   5.36   
1 1 1 17 2  9  o 56.431  0.2521 56.067  -21.0000  -0.24  -0.12  -0.21  0.10   
1 1 1 17 2  10 o 41.125  0.4257 37.125  130.500   -4.56  1.05   -1.18  0.94   
1 1 1 17 2  11 o 60.057  0.3689 58.849  -29.6000  -1.82  -3.84  2.05   -0.69  
1 1 1 17 2  12 o 32.563  0.1811 36.598  46.800    0.34   0.26   -0.45  0.04   
1 1 1 17 2  13 o 24.276  0.1615 23.137  97.800    0.22   0.00   -0.08  -0.15  
1 1 1 17 2  14 o 51.650  0.5797 50.345  53.600    7.55   -0.46  -1.97  0.80   
1 1 1 17 2  15 o 26.556  0.3190 23.639  -53.1000  -0.53  -3.20  0.98   -0.67  
1 1 1 17 2  16 o 24.976  0.6591 24.165  100.500   -2.13  9.16   1.69   1.12   
1 1 1 17 2  17 o 13.758  0.1659 12.668  -127.9000 0.22   0.05   0.30   -0.33  
1 1 1 17 2  18 o 11.865  0.1814 11.473  -43.9000  0.71   0.36   -0.67  -0.15  
1 1 1 17 2  19 o 25.587  0.1685 21.476  -26.5000  0.23   -0.07  0.05   0.02   
1 1 1 17 2  20 f 18.899  0.5713 16.477  166.900   -2.96  4.71   0.85   0.81   
1 1 1 17 2  21 o 9.4813  0.2370 8.9493  8.4000    -0.04  0.50   -0.45  -0.68  
1 1 1 17 2  22 o 21.952  0.1855 22.447  -99.4000  -0.46  -0.88  -0.18  -0.11  
1 1 1 17 2  23 o 14.672  0.2266 17.092  65.600    -0.84  1.44   0.44   0.04   
1 1 1 17 2  24 o 8.5414  0.2862 9.2694  -82.0000  -0.17  -0.09  0.02   0.01   
1 1 1 17 2  25 o 6.1023  0.5223 6.3528  109.000   0.35   0.43   0.04   -0.00  
1 1 1 17 2  26 o 3.1909  0.8918 ?       ?         0.14   -0.48  -0.04  0.05   
1 1 1 17 3  0  o 56.599  0.3512 19.275  0.1000    0.37   0.00   0.00   0.00   
1 1 1 17 3  1  o 51.247  0.6023 66.908  -144.7000 -3.47  1.69   -0.46  0.86   
1 1 1 17 3  2  o 45.796  0.8554 57.883  0.3000    7.34   0.11   -1.70  -0.23  
1 1 1 17 3  3  o 60.887  0.8500 39.317  -57.8000  4.88   -2.40  -0.69  0.72   
1 1 1 17 3  4  o 33.096  0.6461 28.288  -162.4000 -4.15  -7.70  2.13   -2.85  
1 1 1 17 3  5  o 65.124  0.4316 21.743  96.800    -3.80  0.13   -2.04  -0.35  
1 1 1 17 3  6  o 18.879  1.0100 2.7436  -125.3000 8.76   -22.51 4.57   4.08   
1 1 1 17 3  7  o 62.452  0.7478 52.529  10.0000   7.06   2.02   -1.35  -0.66  
1 1 1 17 3  8  o 9.9561  0.3701 10.648  -19.9000  2.97   6.59   1.95   -2.10  
1 1 1 17 3  9  o 42.723  0.4926 44.039  42.900    -0.73  3.78   0.63   0.39   
1 1 1 17 3  10 o 36.839  0.5588 43.017  -153.7000 -3.42  -13.63 6.72   -2.48  
1 1 1 17 3  11 o 43.596  0.2257 39.104  -94.7000  1.15   0.23   -0.28  -0.44  
1 1 1 17 3  12 o 35.121  0.1785 33.636  -98.6000  0.55   -1.46  0.23   1.34   
1 1 1 17 3  13 o 26.871  0.3941 25.368  -115.4000 3.63   -5.54  0.72   2.69   
1 1 1 17 3  14 o 11.504  0.1748 8.0152  -21.7000  0.73   -0.73  -0.08  0.46   
1 1 1 17 3  15 o 19.650  0.1506 13.309  -33.9000  0.78   0.13   -0.45  0.06   
1 1 1 17 3  16 o 52.839  0.2449 54.161  83.500    1.50   1.14   -0.65  -0.22  
1 1 1 17 3  17 o 7.5106  0.2088 6.9961  115.600   0.20   0.23   0.10   -0.14  
1 1 1 17 3  18 o 24.468  0.2358 26.085  -31.8000  -0.06  -3.72  1.96   -1.31  
1 1 1 17 3  19 o 6.1220  0.2944 7.5025  57.300    0.70   0.03   -0.34  0.16   
1 1 1 17 3  20 o 18.038  0.1858 15.627  -107.0000 0.24   0.19   0.03   -0.02  
1 1 1 17 3  21 o 6.5291  0.2829 7.7391  3.1000    0.04   -0.19  0.01   -0.00  
1 1 1 17 3  22 o 12.366  0.2053 11.887  28.800    0.30   0.20   0.10   0.11   
1 1 1 17 3  23 o 12.409  0.2085 11.817  137.300   -0.49  -0.03  0.10   0.16   
1 1 1 17 3  24 o 12.295  0.3424 10.267  15.300    1.34   -1.17  -0.30  0.14   
1 1 1 17 3  25 o 6.1996  0.4959 6.8490  67.100    -0.47  0.23   -0.04  -0.03  
1 1 1 17 3  26 o 5.3749  0.6090 ?       ?         0.09   -0.03  0.00   -0.00  
1 1 1 17 4  0  o 35.798  0.2317 41.133  180.000   -0.25  0.00   0.00   0.00   
1 1 1 17 4  1  o 64.018  1.7687 57.267  137.200   -8.32  22.38  4.09   2.96   
1 1 1 17 4  2  o 77.282  1.3004 73.112  -3.2000   10.68  -6.72  -1.59  2.33   
1 1 1 17 4  3  o 54.344  0.2526 66.652  110.300   -1.96  -0.58  -2.07  -0.47  
1 1 1 17 4  4  o 92.549  0.8137 99.207  -75.7000  -2.39  -6.49  1.41   -1.87  
1 1 1 17 4  5  o 60.628  1.0146 52.975  -11.8000  6.27   -5.56  -0.06  1.64   
1 1 1 17 4  6  o 120.083 0.8639 110.883 55.400    1.29   3.87   0.77   -0.25  
1 1 1 17 4  7  o 109.057 0.9517 96.488  38.900    6.93   3.06   -1.64  -1.01  
1 1 1 17 4  8  o 31.045  0.1584 26.075  -115.4000 -0.40  0.02   -0.59  -0.35  
1 1 1 17 4  9  o 52.278  1.0399 44.652  108.500   0.71   10.11  1.38   -0.04  
1 1 1 17 4  10 o 27.528  0.1468 22.951  30.800    0.04   -0.10  -0.03  0.06   
1 1 1 17 4  11 o 17.245  0.1817 2.4894  104.800   0.37   0.78   0.09   -0.16  
1 1 1 17 4  12 o 22.451  0.1929 13.485  164.400   -0.77  -0.04  -0.17  -0.07  
1 1 1 17 4  13 o 13.366  0.2411 16.276  73.900    0.44   -0.08  -0.03  0.02   
1 1 1 17 4  14 o 24.112  0.2700 27.873  100.400   0.98   2.40   0.44   -0.61  
1 1 1 17 4  15 o 19.777  0.1620 17.566  -88.4000  -0.77  -0.20  -0.25  -0.04  
1 1 1 17 4  16 o 40.357  0.2163 40.263  -29.7000  0.43   -0.36  -0.23  -0.41  
1 1 1 17 4  17 o 6.9262  0.2162 4.1061  -33.7000  0.08   -0.17  0.01   0.08   
1 1 1 17 4  18 o 22.318  0.1571 23.767  -91.4000  0.11   0.01   -0.00  0.02   
1 1 1 17 4  19 o 16.863  0.1647 20.779  87.400    0.38   -0.01  0.10   0.24   
1 1 1 17 4  20 o 19.161  0.1615 16.808  81.500    0.17   -0.19  -0.02  0.01   
1 1 1 17 4  21 o 10.879  0.2004 10.229  -83.3000  0.33   -0.85  -0.14  0.59   
1 1 1 17 4  22 f 12.421  0.4323 15.066  -49.2000  2.33   -0.50  -0.37  -0.02  
1 1 1 17 4  23 o 6.3375  0.3884 8.8314  -117.8000 0.46   0.60   0.05   -0.05  
1 1 1 17 4  24 o 4.0974  0.5029 2.9884  133.000   -0.21  0.13   0.01   0.02   
1 1 1 17 4  25 o 8.6441  0.3585 8.2207  111.700   -0.15  0.17   0.01   0.00   
1 1 1 17 4  26 o 15.484  0.3537 ?       ?         -1.33  -2.27  -0.01  0.52   
1 1 1 17 5  0  o 42.884  0.2792 4.7269  -179.7000 -0.13  0.00   0.00   0.00   
1 1 1 17 5  1  o 40.103  0.1979 23.517  -9.4000   -0.40  -2.46  2.58   -2.16  
1 1 1 17 5  2  f 72.289  0.6280 74.784  -115.4000 -1.77  -0.93  -0.23  -0.18  
1 1 1 17 5  3  o 43.934  0.2078 49.558  64.500    1.16   0.10   -0.57  -0.26  
1 1 1 17 5  4  o 31.579  0.4376 23.450  -127.5000 4.70   1.43   -2.10  -1.71  
1 1 1 17 5  5  o 103.331 0.6690 95.228  173.600   -6.32  -5.91  1.15   -4.78  
1 1 1 17 5  6  o 84.094  0.6036 77.175  -162.6000 -3.38  -1.37  -0.48  -0.72  
1 1 1 17 5  7  o 24.329  0.3156 30.668  156.600   -2.52  -0.11  -0.64  -0.02  
1 1 1 17 5  8  o 43.695  0.8798 37.027  139.100   -16.14 -1.70  -3.38  -0.92  
1 1 1 17 5  9  o 34.099  0.3029 37.532  -149.5000 0.05   1.42   0.23   -0.06  
1 1 1 17 5  10 o 24.730  0.1518 26.807  159.300   0.08   -0.26  0.03   0.04   
1 1 1 17 5  11 o 33.796  0.3630 26.791  -10.3000  0.93   -3.05  0.57   0.59   
1 1 1 17 5  12 o 23.211  0.3643 36.083  16.900    0.37   1.29   0.11   -0.10  
1 1 1 17 5  13 o 37.371  0.2340 39.899  101.600   1.65   1.71   0.80   -1.17  
1 1 1 17 5  14 o 19.032  0.4349 14.405  -170.4000 -2.52  -0.55  -0.26  -0.09  
1 1 1 17 5  15 o 17.916  0.3470 22.173  77.800    -3.59  3.89   -0.11  2.08   
1 1 1 17 5  16 o 24.050  0.3475 23.479  -168.8000 -3.01  0.64   -0.63  0.48   
1 1 1 17 5  17 o 17.553  0.1474 12.626  -126.9000 0.20   -0.31  -0.70  0.16   
1 1 1 17 5  18 o 14.137  0.1588 14.080  162.200   -1.15  -0.16  -0.56  0.13   
1 1 1 17 5  19 o 15.298  0.1831 17.233  -83.0000  -0.05  0.49   -0.23  -0.52  
1 1 1 17 5  20 o 7.3884  0.2825 5.9141  39.600    0.52   -0.30  0.02   0.18   
1 1 1 17 5  21 o 15.293  0.1890 15.229  124.100   -0.69  0.19   -0.13  -0.05  
1 1 1 17 5  22 f 6.8245  0.3084 14.068  127.800   0.01   0.34   0.03   0.03   
1 1 1 17 5  23 o 7.5955  0.3126 7.1194  -114.9000 -1.09  0.24   -0.04  0.30   
1 1 1 17 5  24 o 10.741  0.2457 11.481  126.200   -0.01  0.64   0.01   -0.10  
1 1 1 17 5  25 o 5.1761  0.5499 3.7574  156.700   -0.10  0.47   -0.05  -0.07  
1 1 1 17 5  26 o 7.0972  0.5519 ?       ?         -0.02  0.06   -0.00  -0.00  
1 1 1 17 6  0  o 16.912  0.1466 23.374  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 17 6  1  o 30.536  0.2861 34.219  94.400    -0.45  2.04   0.88   0.63   
1 1 1 17 6  2  o 119.268 0.5195 111.134 149.800   -0.81  2.45   0.99   0.05   
1 1 1 17 6  3  o 73.343  1.0330 66.832  77.600    4.21   7.53   1.18   -1.50  
1 1 1 17 6  4  o 74.168  0.5584 99.454  27.200    -0.23  1.51   0.21   0.02   
1 1 1 17 6  5  o 39.789  0.4386 15.019  -130.4000 -1.66  -0.45  -0.19  -0.13  
1 1 1 17 6  6  o 45.552  0.1988 35.620  37.700    -0.87  2.23   1.90   3.09   
1 1 1 17 6  7  o 38.897  0.1817 49.716  124.000   0.13   0.43   0.22   -0.43  
1 1 1 17 6  8  o 81.281  0.3376 70.975  3.7000    0.27   -0.68  0.42   -0.24  
1 1 1 17 6  9  o 16.405  0.2030 15.120  -149.0000 -3.81  1.44   -2.62  2.96   
1 1 1 17 6  10 o 42.998  0.2040 41.801  66.000    0.66   0.18   -0.35  0.08   
1 1 1 17 6  11 o 38.924  0.1941 41.353  43.400    0.44   0.80   -0.61  -1.12  
1 1 1 17 6  12 o 24.020  0.2506 27.314  32.600    2.31   -0.11  -0.98  -0.16  
1 1 1 17 6  13 o 39.286  0.7183 35.868  -46.7000  7.11   -7.69  0.79   2.86   
1 1 1 17 6  14 o 36.198  0.2801 34.465  14.600    1.26   -1.54  -0.05  0.49   
1 1 1 17 6  15 o 34.041  0.1944 31.378  118.800   -0.00  -0.04  -0.01  0.00   
1 1 1 17 6  16 o 21.687  0.4271 24.774  -130.1000 -2.63  -5.97  1.58   -1.22  
1 1 1 17 6  17 o 13.188  0.2499 8.8065  105.300   0.40   3.39   1.42   -0.65  
1 1 1 17 6  18 o 4.7700  0.3869 7.5747  -73.1000  1.78   0.69   -0.31  -0.36  
1 1 1 17 6  19 o 16.826  0.3721 19.101  -152.5000 -1.27  -1.31  -0.07  -0.23  
1 1 1 17 6  20 o 5.5432  0.3181 2.1336  142.200   0.12   -0.30  0.23   -0.33  
1 1 1 17 6  21 o 9.1938  0.5424 8.5546  -29.2000  3.07   -3.19  -0.19  0.90   
1 1 1 17 6  22 o 14.897  0.5690 13.524  -164.4000 -4.38  -3.37  0.17   -1.07  
1 1 1 17 6  23 o 9.9283  0.2402 8.5248  -158.0000 0.17   0.05   0.02   0.00   
1 1 1 17 6  24 o 7.1675  0.3349 6.9255  -43.6000  0.08   -0.50  -0.18  0.07   
1 1 1 17 6  25 o 9.6855  0.3436 11.672  35.200    0.59   0.15   0.11   -0.01  
1 1 1 17 6  26 f 10.430  0.6403 ?       ?         -0.19  1.27   -0.08  -0.03  
1 1 1 17 7  0  o 35.620  0.2398 27.017  180.000   -0.03  0.00   0.00   0.00   
1 1 1 17 7  1  o 100.164 0.4048 103.530 32.000    -0.61  0.58   -0.58  0.21   
1 1 1 17 7  2  o 46.628  1.0238 35.005  -176.5000 -12.87 -8.85  -1.47  -4.62  
1 1 1 17 7  3  o 68.745  0.2861 70.486  23.200    -0.06  0.02   -0.01  -0.01  
1 1 1 17 7  4  o 46.430  0.2049 48.587  175.500   0.20   0.10   -0.04  -0.02  
1 1 1 17 7  5  o 51.065  0.3664 36.156  -52.6000  2.42   -2.48  -0.14  1.28   
1 1 1 17 7  6  o 36.781  0.2756 38.922  -22.6000  0.02   0.27   0.01   -0.00  
1 1 1 17 7  7  o 57.651  0.2674 45.456  -71.5000  -0.05  0.15   0.06   -0.01  
1 1 1 17 7  8  o 63.390  0.6451 42.460  109.000   -2.09  7.57   2.00   0.80   
1 1 1 17 7  9  o 21.200  0.1593 21.226  -74.2000  -0.83  0.17   -0.34  0.06   
1 1 1 17 7  10 o 24.103  0.3317 28.454  -67.3000  -3.38  -8.39  4.99   -6.49  
1 1 1 17 7  11 o 28.938  0.5230 31.230  127.400   2.90   3.29   0.16   -0.67  
1 1 1 17 7  12 f 49.701  0.2345 44.977  -30.4000  0.86   -0.35  1.70   -0.39  
1 1 1 17 7  13 o 12.227  0.1509 6.1658  -95.8000  0.10   -0.17  -0.01  0.14   
1 1 1 17 7  14 o 30.654  0.1713 30.616  -163.2000 -0.62  -0.73  0.39   -0.44  
1 1 1 17 7  15 o 16.765  0.1585 14.146  -138.4000 0.63   0.38   -1.14  -0.42  
1 1 1 17 7  16 f 27.603  0.1735 27.032  58.900    -0.41  -0.29  0.12   -0.16  
1 1 1 17 7  17 f 6.2426  0.2535 14.383  92.100    -0.04  -0.00  -0.00  0.00   
1 1 1 17 7  18 o 9.6956  0.2671 9.7046  -171.1000 0.40   1.34   0.23   -0.25  
1 1 1 17 7  19 f 7.5905  0.2480 7.1312  -147.8000 -0.10  0.27   0.03   0.00   
1 1 1 17 7  20 o 14.660  0.2891 16.756  37.200    1.21   0.59   -0.22  -0.08  
1 1 1 17 7  21 o 15.195  0.2126 14.273  108.600   0.71   0.64   0.11   -0.15  
1 1 1 17 7  22 o 8.1641  0.4504 6.7755  149.000   -1.38  0.18   -0.12  0.09   
1 1 1 17 7  23 o 10.734  0.2294 10.553  153.400   0.20   0.38   -0.03  0.12   
1 1 1 17 7  24 o 15.176  0.2049 15.070  -62.9000  -0.16  0.29   -0.01  -0.03  
1 1 1 17 7  25 f 6.3180  0.4630 7.8848  -140.2000 0.00   0.10   -0.00  -0.00  
1 1 1 17 7  26 o 9.2804  0.6681 ?       ?         -0.54  -0.22  0.01   -0.00  
1 1 1 17 8  0  o 121.801 0.6817 122.389 -0.0000   0.14   0.00   0.00   0.00   
1 1 1 17 8  1  o 68.449  0.2914 49.476  71.400    -0.17  1.16   0.76   1.20   
1 1 1 17 8  2  o 53.125  1.1790 70.879  157.000   -15.26 2.90   -3.55  1.16   
1 1 1 17 8  3  f 29.018  0.3698 27.266  -147.6000 -1.83  0.81   -0.39  0.36   
1 1 1 17 8  4  o 95.594  1.2855 101.983 9.0000    12.86  1.75   -2.68  -0.37  
1 1 1 17 8  5  o 54.641  0.5340 63.415  146.700   -1.02  5.01   1.48   0.44   
1 1 1 17 8  6  o 49.874  0.5840 43.621  -125.4000 -6.83  -3.26  -1.20  -1.79  
1 1 1 17 8  7  o 49.961  0.4958 37.924  -121.5000 -2.79  -1.27  -0.38  -0.35  
1 1 1 17 8  8  o 33.297  0.6304 39.015  -141.5000 -15.21 -3.05  -5.52  -1.95  
1 1 1 17 8  9  o 63.386  0.2774 57.498  -140.3000 0.14   0.10   0.05   0.04   
1 1 1 17 8  10 o 61.007  0.2844 51.202  161.900   -0.25  -0.12  0.04   0.14   
1 1 1 17 8  11 o 17.114  0.1229 24.821  -94.6000  -0.94  -0.43  -0.48  -0.35  
1 1 1 17 8  12 o 35.726  0.2103 31.597  -126.5000 0.88   -0.02  -0.30  0.28   
1 1 1 17 8  13 o 24.262  0.3791 21.335  130.100   -2.04  1.36   -0.27  0.41   
1 1 1 17 8  14 o 5.3689  0.6201 4.9246  -148.0000 -4.06  -3.48  -0.21  -1.08  
1 1 1 17 8  15 o 38.483  0.2925 37.465  167.200   -0.02  0.25   0.01   -0.00  
1 1 1 17 8  16 o 17.924  0.1901 13.193  83.700    -0.45  0.47   0.04   0.09   
1 1 1 17 8  17 o 14.274  0.1599 13.547  161.100   -1.56  0.92   0.28   2.28   
1 1 1 17 8  18 o 8.3893  0.1908 11.736  -105.5000 0.36   -0.78  0.08   0.20   
1 1 1 17 8  19 o 22.805  0.6956 20.785  92.800    4.06   5.86   0.01   -1.24  
1 1 1 17 8  20 o 9.6537  0.2588 9.0591  28.700    2.74   0.05   -1.21  -0.66  
1 1 1 17 8  21 o 5.6194  0.5086 4.0977  3.5000    1.86   -0.43  -0.24  0.21   
1 1 1 17 8  22 o 9.3874  0.2337 8.5129  53.400    -0.12  0.94   0.23   -0.27  
1 1 1 17 8  23 o 5.6960  0.3519 5.1635  38.500    0.13   0.14   0.01   -0.01  
1 1 1 17 8  24 o 6.5700  0.6550 6.3883  44.500    1.19   0.49   -0.09  -0.02  
1 1 1 17 8  25 o 9.9895  0.3558 9.6843  -21.3000  0.89   0.84   0.28   0.14   
1 1 1 17 8  26 o 6.5955  0.7037 ?       ?         0.49   0.20   -0.00  0.03   
1 1 1 17 9  0  o 40.070  0.2985 27.637  -179.9000 0.05   0.00   0.00   0.00   
1 1 1 17 9  1  o 35.194  0.6200 29.738  -110.4000 -3.13  -0.06  -0.48  -0.05  
1 1 1 17 9  2  o 68.041  0.3353 67.268  -24.0000  1.09   1.29   0.29   -0.56  
1 1 1 17 9  3  o 83.550  0.3543 82.707  144.800   0.00   0.02   0.00   0.00   
1 1 1 17 9  4  o 24.090  0.3381 18.372  137.000   -1.35  2.87   0.64   0.70   
1 1 1 17 9  5  o 50.156  0.4628 35.535  55.200    3.02   4.97   1.21   -1.85  
1 1 1 17 9  6  o 72.440  0.3121 63.199  28.900    -0.48  -0.37  0.34   -0.38  
1 1 1 17 9  7  o 51.605  0.4494 57.623  146.700   -3.38  5.09   0.53   2.10   
1 1 1 17 9  8  o 17.184  0.1335 23.132  -176.8000 0.28   -0.22  -0.08  0.18   
1 1 1 17 9  9  o 23.498  0.5955 24.256  -110.3000 -5.64  -4.82  -0.30  -1.39  
1 1 1 17 9  10 o 31.217  0.5114 26.588  103.500   -3.73  1.18   -0.53  0.29   
1 1 1 17 9  11 o 46.419  0.2225 55.881  137.700   -0.75  -0.89  0.86   -0.25  
1 1 1 17 9  12 o 54.792  0.2509 49.033  -178.6000 -0.57  0.99   -0.20  0.42   
1 1 1 17 9  13 o 19.210  0.1789 13.827  -37.5000  -0.25  1.37   0.69   0.04   
1 1 1 17 9  14 o 31.159  0.4279 31.989  -132.0000 -1.71  -4.33  0.76   -1.23  
1 1 1 17 9  15 o 42.122  0.2065 37.245  -4.6000   0.31   -0.60  -0.09  0.22   
1 1 1 17 9  16 o 31.846  0.1909 28.958  -131.4000 -1.11  0.12   -0.20  0.22   
1 1 1 17 9  17 o 31.850  0.3287 31.041  91.600    3.23   2.60   -1.22  -1.22  
1 1 1 17 9  18 o 12.821  0.1642 14.862  -139.0000 -1.39  -1.64  0.86   -1.19  
1 1 1 17 9  19 f 20.944  0.4239 17.742  -160.4000 -2.52  -0.44  -0.43  0.09   
1 1 1 17 9  20 o 7.6324  0.3207 9.6807  45.900    0.57   0.56   -0.03  -0.08  
1 1 1 17 9  21 o 13.457  0.1999 13.056  145.100   -0.61  -0.53  -0.22  -0.11  
1 1 1 17 9  22 o 13.239  0.1955 12.531  -132.6000 -0.01  -0.89  -0.04  0.36   
1 1 1 17 9  23 o 7.1686  0.5905 4.4484  116.900   -1.67  0.77   -0.20  0.08   
1 1 1 17 9  24 o 6.8652  0.5220 6.2456  140.200   0.53   0.33   0.01   -0.04  
1 1 1 17 9  25 o 12.848  0.2957 13.504  -37.1000  0.14   -1.48  -0.13  -0.31  
1 1 1 17 9  26 o 13.927  0.6024 ?       ?         1.62   1.08   0.13   -0.06  
1 1 1 17 10 0  o 25.004  0.2200 0.8213  0.9000    0.02   0.00   0.00   0.00   
1 1 1 17 10 1  o 90.252  0.4467 96.599  -46.6000  2.70   -2.55  0.77   2.08   
1 1 1 17 10 2  o 48.945  0.5495 30.654  -17.0000  3.53   -0.68  -0.79  0.42   
1 1 1 17 10 3  o 40.498  0.4017 49.171  -17.6000  -0.54  -1.29  0.11   -0.14  
1 1 1 17 10 4  o 94.124  0.3796 90.202  82.400    -1.14  0.13   -0.57  -0.32  
1 1 1 17 10 5  o 79.496  0.3330 66.239  50.200    0.11   0.36   0.19   0.18   
1 1 1 17 10 6  o 49.576  0.3672 54.477  -119.5000 -3.57  -1.23  -1.14  -0.66  
1 1 1 17 10 7  o 34.036  0.4754 42.447  11.900    0.19   7.76   2.29   0.05   
1 1 1 17 10 8  o 29.574  0.1550 33.913  92.500    -0.21  0.02   0.81   -0.03  
1 1 1 17 10 9  o 56.750  0.8236 68.836  -119.8000 5.44   -12.64 2.29   3.72   
1 1 1 17 10 10 o 39.424  0.2019 32.269  160.700   -0.24  0.53   0.61   -0.35  
1 1 1 17 10 11 o 12.226  0.5217 16.786  -88.7000  -7.49  3.95   -1.45  2.41   
1 1 1 17 10 12 o 15.821  0.1491 17.862  152.700   0.10   -0.03  -0.01  -0.27  
1 1 1 17 10 13 o 67.391  0.3016 73.495  -162.1000 -0.53  -0.91  0.36   0.61   
1 1 1 17 10 14 f 37.176  0.5221 39.183  40.000    2.46   -0.37  -0.23  0.15   
1 1 1 17 10 15 f 12.767  0.1460 16.213  8.4000    0.40   -0.99  1.36   0.37   
1 1 1 17 10 16 o 18.332  0.6176 17.415  96.100    -0.44  4.98   0.56   0.16   
1 1 1 17 10 17 o 15.474  0.2118 14.911  88.900    -0.24  0.93   0.14   0.21   
1 1 1 17 10 18 o 15.206  0.3108 18.162  10.800    -0.29  0.58   0.01   0.03   
1 1 1 17 10 19 o 15.151  0.2846 15.848  -159.8000 -1.45  -0.78  -0.01  -0.38  
1 1 1 17 10 20 o 6.2878  0.2772 3.3078  -135.0000 -1.37  0.77   -0.08  0.69   
1 1 1 17 10 21 f 8.7889  0.5832 10.060  98.200    2.76   -0.34  -0.32  0.20   
1 1 1 17 10 22 o 20.751  0.1829 21.240  152.300   -0.41  0.23   -0.01  -0.07  
1 1 1 17 10 23 o 14.861  0.2237 15.203  139.200   -0.99  2.77   1.12   -1.03  
1 1 1 17 10 24 o 5.3806  0.4473 4.3748  -144.5000 0.03   0.38   0.02   0.04   
1 1 1 17 10 25 o 7.8274  0.7587 6.5999  71.200    0.83   0.77   -0.04  -0.04  
1 1 1 17 10 26 o 6.9740  0.5706 ?       ?         -0.51  0.15   0.01   0.01   
1 1 1 17 11 0  o 45.455  0.3764 43.964  -180.0000 -0.10  0.00   0.00   0.00   
1 1 1 17 11 1  o 42.654  0.2167 60.175  -101.3000 -1.01  -0.10  -0.53  0.04   
1 1 1 17 11 2  f 58.971  0.2653 48.232  136.400   -1.48  -1.61  -0.64  -2.20  
1 1 1 17 11 3  o 127.864 0.5074 122.547 -11.6000  0.42   -0.70  0.31   -0.60  
1 1 1 17 11 4  o 67.207  0.8194 64.230  46.600    8.02   -0.15  -1.85  0.27   
1 1 1 17 11 5  o 43.486  0.3173 32.206  24.700    -3.06  5.28   1.70   4.31   
1 1 1 17 11 6  o 24.173  0.2643 25.125  64.700    0.39   -1.28  0.20   0.15   
1 1 1 17 11 7  o 100.954 0.9481 96.692  97.400    -8.02  4.99   -1.82  1.83   
1 1 1 17 11 8  o 36.668  0.3793 35.888  126.100   -6.00  -0.71  -2.89  -0.17  
1 1 1 17 11 9  o 29.918  0.4618 40.256  12.700    4.16   -0.59  -0.74  0.13   
1 1 1 17 11 10 o 30.134  0.5462 33.668  19.700    3.44   7.95   1.37   -1.82  
1 1 1 17 11 11 o 16.379  0.5143 26.236  -24.7000  6.14   -6.19  -0.24  3.15   
1 1 1 17 11 12 o 45.182  0.5790 36.580  56.500    2.47   3.32   0.33   -0.56  
1 1 1 17 11 13 o 49.679  0.2476 42.540  97.200    -0.52  0.81   -0.71  0.41   
1 1 1 17 11 14 o 34.832  0.4965 36.579  -89.6000  -0.68  -2.06  0.21   -0.08  
1 1 1 17 11 15 o 26.307  0.1846 22.098  83.600    0.08   -0.04  0.02   -0.02  
1 1 1 17 11 16 o 29.981  0.5298 30.837  -177.1000 -6.03  -5.14  0.09   -1.81  
1 1 1 17 11 17 o 10.794  0.2378 14.609  -154.6000 -0.24  -1.04  0.22   -0.04  
1 1 1 17 11 18 o 13.961  0.1731 13.146  58.800    0.28   -0.88  0.30   0.03   
1 1 1 17 11 19 o 13.273  0.1808 15.911  74.800    0.71   0.50   -0.50  -0.04  
1 1 1 17 11 20 o 22.204  0.1703 21.415  -129.4000 0.59   -0.44  0.09   0.09   
1 1 1 17 11 21 o 6.0279  0.4284 6.4231  133.600   -0.81  0.34   -0.04  0.08   
1 1 1 17 11 22 o 12.521  0.2489 14.044  -32.9000  0.60   1.15   0.30   -0.00  
1 1 1 17 11 23 o 8.0209  0.2971 7.4379  167.800   -0.38  -0.58  -0.22  -0.07  
1 1 1 17 11 24 o 9.9814  0.3161 9.3298  13.600    -0.22  -0.66  0.06   0.06   
1 1 1 17 11 25 o 5.0888  0.5491 5.1814  -87.3000  -0.01  -0.01  -0.00  0.00   
1 1 1 17 11 26 o 8.0512  0.5991 ?       ?         -0.29  -0.76  -0.02  0.04   
1 1 1 17 12 0  o 68.003  0.4840 67.233  180.000   -0.03  0.00   0.00   0.00   
1 1 1 17 12 1  o 94.827  0.4826 86.864  -112.5000 -0.03  -1.02  0.35   0.47   
1 1 1 17 12 2  o 46.185  0.2014 45.590  160.000   0.04   -0.10  -0.27  0.06   
1 1 1 17 12 3  o 45.725  0.2110 51.513  -54.1000  0.89   0.56   -0.32  -0.38  
1 1 1 17 12 4  o 81.528  0.3355 67.202  -129.2000 0.44   -0.69  -0.15  0.39   
1 1 1 17 12 5  o 18.305  0.1340 31.159  138.100   -0.44  0.43   -0.05  0.35   
1 1 1 17 12 6  o 40.129  1.4095 35.108  -63.1000  24.34  -14.97 -2.24  4.05   
1 1 1 17 12 7  o 27.834  0.6368 40.906  55.100    -2.72  8.45   1.36   0.89   
1 1 1 17 12 8  o 9.0621  0.1259 4.6863  -71.2000  -0.52  0.63   0.04   0.67   
1 1 1 17 12 9  f 40.399  0.8304 31.416  80.700    -7.81  8.71   0.01   2.16   
1 1 1 17 12 10 o 18.040  0.4670 13.901  -38.8000  2.93   -6.92  1.45   1.32   
1 1 1 17 12 11 o 59.764  0.2777 52.873  -56.4000  -0.04  -0.25  -0.04  -0.03  
1 1 1 17 12 12 o 36.387  0.2649 35.609  136.300   0.37   -0.81  0.03   0.15   
1 1 1 17 12 13 o 14.328  0.2871 14.093  -0.7000   3.19   -2.30  -0.59  1.33   
1 1 1 17 12 14 o 10.227  0.1726 8.4650  -90.7000  -2.07  -0.89  -0.86  -1.28  
1 1 1 17 12 15 o 16.025  0.1710 13.359  159.900   0.01   0.50   0.30   0.28   
1 1 1 17 12 16 o 30.334  0.4403 32.258  -37.6000  0.23   -1.94  0.18   -0.01  
1 1 1 17 12 17 o 8.1897  0.2494 5.9441  57.500    1.33   -0.25  -0.26  0.17   
1 1 1 17 12 18 o 24.106  0.1564 27.607  -167.4000 0.05   0.24   -0.07  -0.01  
1 1 1 17 12 19 o 7.1400  0.2583 9.6804  157.700   -0.13  -0.05  0.02   -0.04  
1 1 1 17 12 20 o 7.9129  0.2503 9.7330  -92.7000  -0.08  -0.05  -0.02  0.01   
1 1 1 17 12 21 o 11.945  0.2037 9.0032  -14.0000  -0.33  0.35   -0.08  0.04   
1 1 1 17 12 22 f 2.8480  0.5835 4.3696  -28.6000  -0.17  -0.30  -0.05  -0.09  
1 1 1 17 12 23 f 3.5602  0.5280 1.0367  73.400    -0.09  -0.03  -0.00  -0.00  
1 1 1 17 12 24 o 8.3723  0.3403 7.7813  100.500   -0.06  0.33   -0.01  0.02   
1 1 1 17 12 25 o 5.1602  1.0825 3.9291  130.300   -0.06  1.35   0.07   -0.04  
1 1 1 17 12 26 o 7.9466  0.5424 ?       ?         -1.19  -0.16  0.06   0.09   
1 1 1 17 13 0  f 102.595 0.6802 100.512 180.000   0.01   0.00   0.00   0.00   
1 1 1 17 13 1  o 45.614  0.6168 48.214  60.800    5.03   -2.81  -0.66  1.31   
1 1 1 17 13 2  o 76.059  0.3143 68.045  16.400    -0.18  3.26   2.32   1.23   
1 1 1 17 13 3  o 86.413  1.1199 79.981  113.600   -9.38  8.92   0.23   3.11   
1 1 1 17 13 4  o 93.895  1.1789 84.955  -26.2000  8.88   -3.51  -1.34  0.89   
1 1 1 17 13 5  o 17.479  0.4128 14.646  65.300    2.97   7.56   2.24   -2.21  
1 1 1 17 13 6  o 47.295  0.2177 39.174  -179.9000 -1.47  0.67   -0.29  0.67   
1 1 1 17 13 7  o 38.355  0.4311 40.826  16.200    -1.40  6.75   2.39   1.55   
1 1 1 17 13 8  f 30.481  0.3879 32.951  139.800   -6.19  0.26   -2.36  -0.14  
1 1 1 17 13 9  o 20.756  0.1377 23.920  125.900   -0.13  0.07   -0.27  -0.17  
1 1 1 17 13 10 o 12.631  0.1867 14.528  -154.5000 -0.25  -2.09  1.36   -0.08  
1 1 1 17 13 11 f 9.4827  0.1392 1.9110  -170.9000 -0.39  -0.47  0.20   -0.42  
1 1 1 17 13 12 o 42.991  0.2365 44.024  -101.8000 0.18   1.30   0.44   0.25   
1 1 1 17 13 13 o 27.489  0.1729 27.033  175.700   -0.12  0.93   0.37   0.37   
1 1 1 17 13 14 o 35.303  0.3461 37.764  106.400   0.03   1.26   0.12   -0.05  
1 1 1 17 13 15 o 9.2870  0.3312 7.4591  -80.3000  -0.14  -0.62  0.04   -0.01  
1 1 1 17 13 16 o 9.7863  0.2752 7.9485  -74.5000  3.81   -3.42  -0.85  3.14   
1 1 1 17 13 17 o 11.751  0.1729 12.409  -53.3000  0.23   -0.45  -0.07  0.37   
1 1 1 17 13 18 o 32.803  0.1792 33.293  -42.6000  -0.23  -1.67  -0.69  -0.93  
1 1 1 17 13 19 f 4.1778  0.4020 2.9828  -131.8000 0.43   0.53   0.07   -0.11  
1 1 1 17 13 20 o 17.263  0.1819 17.434  -77.4000  0.34   -0.76  0.30   -0.12  
1 1 1 17 13 21 o 4.0465  0.4572 3.5098  44.000    0.10   0.06   0.03   -0.01  
1 1 1 17 13 22 f 6.1856  0.3322 9.7673  -120.1000 0.80   -1.00  0.53   0.24   
1 1 1 17 13 23 f 8.7629  0.2799 5.6993  179.000   -0.42  -0.21  0.15   0.05   
1 1 1 17 13 24 o 9.8348  0.2978 9.3670  143.100   -0.21  0.21   -0.01  -0.03  
1 1 1 17 13 25 o 8.6722  0.5962 ?       ?         0.51   0.70   -0.03  -0.03  
1 1 1 17 13 26 o 2.9759  1.1061 ?       ?         -0.28  0.11   0.02   0.00   
1 1 1 17 14 0  o 16.465  0.1683 0.0933  -20.8000  -0.05  0.00   0.00   0.00   
1 1 1 17 14 1  o 47.679  1.1752 46.727  55.100    15.79  15.35  -0.39  -5.39  
1 1 1 17 14 2  f 63.804  0.5982 59.078  140.500   -7.34  3.62   -1.44  2.59   
1 1 1 17 14 3  f 88.572  0.6289 82.927  -139.2000 -4.12  -0.17  -0.94  0.18   
1 1 1 17 14 4  o 44.689  0.6544 25.336  140.500   -8.97  3.30   -1.94  1.44   
1 1 1 17 14 5  o 37.355  0.1867 36.835  -84.0000  1.33   -0.44  -1.17  0.36   
1 1 1 17 14 6  o 64.676  0.2830 66.524  -49.5000  0.22   -0.42  0.43   -0.39  
1 1 1 17 14 7  o 36.250  0.4161 27.821  149.900   -4.67  1.61   -1.00  1.07   
1 1 1 17 14 8  o 20.425  0.1288 36.557  -42.8000  -0.80  -0.74  -1.14  -1.81  
1 1 1 17 14 9  o 47.840  0.2355 46.419  -165.3000 -0.59  -0.63  -0.09  -0.16  
1 1 1 17 14 10 o 7.3201  0.2882 5.6566  125.100   2.56   0.50   -0.85  -0.28  
1 1 1 17 14 11 o 50.160  1.7284 53.839  165.700   -32.54 -8.10  -4.18  -2.76  
1 1 1 17 14 12 o 12.821  0.2494 16.256  -137.3000 -0.03  -1.09  0.20   -0.04  
1 1 1 17 14 13 o 25.617  0.1848 24.826  35.100    -2.49  1.56   -2.03  1.59   
1 1 1 17 14 14 o 18.892  0.1409 22.430  -157.7000 -0.13  0.01   0.12   -0.15  
1 1 1 17 14 15 o 6.6797  0.2134 10.112  -153.0000 -1.79  0.22   -1.13  0.52   
1 1 1 17 14 16 o 26.107  0.1739 25.253  170.200   0.07   0.09   -0.01  0.04   
1 1 1 17 14 17 o 13.392  0.1690 15.644  -129.7000 -0.18  0.07   0.03   0.08   
1 1 1 17 14 18 o 8.8011  0.2031 8.6701  35.600    0.03   -0.08  0.01   -0.00  
1 1 1 17 14 19 f 20.367  0.1684 19.591  10.200    0.21   -0.70  0.16   -0.13  
1 1 1 17 14 20 o 6.2378  0.3135 3.5037  -133.3000 -0.02  -0.11  -0.05  0.04   
1 1 1 17 14 21 o 15.466  0.3089 16.751  -142.0000 1.17   -4.60  0.63   2.28   
1 1 1 17 14 22 o 7.0280  0.3028 8.3353  -7.5000   0.10   -0.40  0.06   -0.03  
1 1 1 17 14 23 o 8.0704  0.2878 8.0051  -44.0000  1.11   0.61   0.19   -0.28  
1 1 1 17 14 24 o 10.040  0.3633 10.167  176.300   -0.31  -1.20  0.13   0.12   
1 1 1 17 14 25 o 10.851  0.4525 ?       ?         -0.69  1.06   0.06   -0.07  
1 1 1 17 14 26 f 5.4075  0.6902 ?       ?         0.26   -0.19  -0.01  -0.01  
1 1 1 17 15 0  o 8.4143  0.3914 1.0875  -0.6000   0.01   0.00   0.00   0.00   
1 1 1 17 15 1  o 58.039  0.3313 58.382  11.700    0.65   0.36   -0.26  -0.13  
1 1 1 17 15 2  o 51.863  0.2511 38.615  -88.0000  -0.92  -2.60  1.91   -0.80  
1 1 1 17 15 3  o 62.486  0.2660 52.545  -158.3000 -0.43  -0.32  1.79   0.26   
1 1 1 17 15 4  o 40.981  0.1977 54.245  61.300    -0.46  -0.30  -0.30  -0.21  
1 1 1 17 15 5  o 30.002  0.2514 29.830  89.700    1.29   3.46   1.15   -1.25  
1 1 1 17 15 6  o 36.352  0.1711 38.258  32.200    0.90   -0.24  0.29   2.66   
1 1 1 17 15 7  o 41.454  0.4057 52.628  -71.2000  7.73   -3.20  -3.99  2.66   
1 1 1 17 15 8  o 17.400  0.1746 14.144  146.200   -1.40  -0.64  -0.32  -0.51  
1 1 1 17 15 9  o 19.991  0.1333 9.3178  74.900    0.24   0.04   -0.34  0.35   
1 1 1 17 15 10 o 29.764  0.3350 33.674  -17.5000  1.61   2.66   0.65   -0.72  
1 1 1 17 15 11 o 17.891  0.2929 10.758  142.400   2.35   0.41   -1.02  -0.11  
1 1 1 17 15 12 f 14.908  0.1313 16.799  -154.9000 0.68   -0.00  -0.65  -0.29  
1 1 1 17 15 13 o 26.659  0.5601 29.159  -121.2000 -1.76  -1.87  -0.02  -0.23  
1 1 1 17 15 14 o 32.034  0.4832 31.748  -52.7000  4.17   -2.12  -0.80  0.63   
1 1 1 17 15 15 o 11.985  0.1753 12.555  79.000    0.31   -0.04  -0.09  0.41   
1 1 1 17 15 16 o 8.5681  0.2025 8.0870  -25.0000  -0.21  0.16   -0.50  -0.11  
1 1 1 17 15 17 o 22.389  0.1636 21.805  -20.9000  1.01   -1.31  -0.96  0.89   
1 1 1 17 15 18 o 4.6514  0.3226 4.5234  178.200   -0.14  -0.33  0.05   -0.02  
1 1 1 17 15 19 o 4.7915  0.3831 2.8583  -94.0000  0.19   0.64   0.04   -0.05  
1 1 1 17 15 20 o 11.202  0.2023 8.6243  -129.9000 0.02   0.42   0.04   -0.09  
1 1 1 17 15 21 o 7.5274  0.2627 6.4062  -33.2000  0.15   0.00   0.03   0.03   
1 1 1 17 15 22 o 7.6155  0.2887 9.3787  147.600   0.43   -0.67  -0.03  0.11   
1 1 1 17 15 23 o 5.2239  0.4381 4.0713  -163.1000 -0.31  0.41   0.03   0.02   
1 1 1 17 15 24 o 4.9207  0.5019 5.4090  -163.5000 -0.00  0.17   -0.01  0.00   
1 1 1 17 15 25 o 12.531  0.4169 ?       ?         -2.57  -0.07  0.19   -0.33  
1 1 1 17 15 26 o 0.0000  4.5826 ?       ?         -0.28  -0.04  0.00   0.00   
1 1 1 17 16 0  o 129.909 1.0226 128.189 -180.0000 -0.53  0.00   0.00   0.00   
1 1 1 17 16 1  o 46.764  0.3781 54.219  -136.8000 0.19   -0.11  0.12   0.12   
1 1 1 17 16 2  o 44.448  1.3483 35.513  18.800    35.44  5.77   -8.66  -2.54  
1 1 1 17 16 3  f 45.946  0.5834 49.051  33.900    6.42   0.62   -1.26  -0.38  
1 1 1 17 16 4  o 29.710  0.1508 40.153  48.900    0.38   -0.03  -0.14  2.17   
1 1 1 17 16 5  o 26.216  0.6701 34.934  165.100   -5.84  16.24  3.77   2.90   
1 1 1 17 16 6  o 9.8392  0.1116 12.002  109.600   -0.24  0.29   -2.52  3.26   
1 1 1 17 16 7  f 50.116  0.6122 53.089  -30.0000  8.47   -0.65  -2.20  0.83   
1 1 1 17 16 8  f 70.911  0.3129 63.531  145.300   -0.36  0.62   0.08   0.01   
1 1 1 17 16 9  o 11.130  0.4355 10.713  -58.3000  1.89   -6.77  2.25   1.17   
1 1 1 17 16 10 o 46.180  0.8319 47.255  -148.6000 4.94   -8.78  0.65   1.70   
1 1 1 17 16 11 o 15.345  0.1733 17.829  -164.9000 0.12   0.13   -0.00  -0.01  
1 1 1 17 16 12 o 27.802  0.1610 29.767  -7.3000   0.09   0.11   0.09   0.13   
1 1 1 17 16 13 o 60.105  0.8330 54.771  167.900   -5.95  3.10   -0.88  0.58   
1 1 1 17 16 14 o 5.6806  0.2422 1.2939  117.000   -0.07  -0.75  0.89   -0.54  
1 1 1 17 16 15 o 41.866  0.2161 42.185  -150.9000 0.08   -0.92  -0.87  0.17   
1 1 1 17 16 16 o 7.7413  0.2073 6.5654  -47.1000  -0.19  -0.13  0.05   -0.12  
1 1 1 17 16 17 o 11.609  0.1953 10.150  77.800    -0.03  1.44   0.94   -0.63  
1 1 1 17 16 18 o 11.410  0.1868 13.596  67.000    -0.15  0.17   0.08   -0.06  
1 1 1 17 16 19 o 9.4076  0.3761 7.8441  -132.4000 -0.33  -0.44  0.01   -0.02  
1 1 1 17 16 20 o 7.0480  0.2937 8.3438  -39.7000  0.26   0.07   -0.01  -0.01  
1 1 1 17 16 21 o 10.893  0.2092 10.155  8.7000    -0.03  -0.15  -0.00  0.02   
1 1 1 17 16 22 o 18.337  0.3083 18.494  -171.9000 -1.26  -1.08  0.23   -0.10  
1 1 1 17 16 23 o 8.3498  0.5750 9.8007  -119.5000 -1.53  -1.32  -0.17  -0.17  
1 1 1 17 16 24 o 8.6970  0.3478 8.3890  47.400    -0.62  0.33   -0.04  -0.11  
1 1 1 17 16 25 o 4.8949  0.7657 ?       ?         0.49   -0.19  0.02   0.02   
1 1 1 17 16 26 f 5.6921  1.4781 ?       ?         0.33   0.81   0.00   0.00   
1 1 1 17 17 0  o 37.707  0.6337 1.5687  1.1000    0.03   0.00   0.00   0.00   
1 1 1 17 17 1  o 29.665  0.3102 26.968  -89.9000  -0.00  -0.01  0.00   0.00   
1 1 1 17 17 2  o 15.205  0.1498 9.7783  -0.0000   -0.00  0.00   0.00   0.00   
1 1 1 17 17 3  o 27.648  0.2029 32.848  -90.0000  0.00   0.03   0.00   0.00   
1 1 1 17 17 4  o 18.119  0.1478 11.132  0.1000    -0.02  0.00   0.00   0.00   
1 1 1 17 17 5  f 31.510  0.2425 26.625  89.900    0.00   0.21   0.00   0.00   
1 1 1 17 17 6  o 47.291  0.3349 42.438  -0.0000   -0.15  0.00   0.00   0.00   
1 1 1 17 17 7  o 36.332  0.2583 44.382  -90.0000  -0.00  -0.08  0.00   0.00   
1 1 1 17 17 8  o 24.389  0.2295 31.274  0.0000    -0.07  0.00   0.00   0.00   
1 1 1 17 17 9  o 23.100  0.1932 19.525  89.800    -0.00  -0.25  0.00   0.00   
1 1 1 17 17 10 o 30.371  0.2789 32.185  -0.0000   0.04   0.00   0.00   0.00   
1 1 1 17 17 11 o 27.519  0.2699 24.952  -90.0000  0.00   0.14   0.00   0.00   
1 1 1 17 17 12 f 29.993  0.2758 20.339  -0.0000   0.33   0.00   0.00   0.00   
1 1 1 17 17 13 f 20.406  0.2613 22.070  -89.8000  0.00   0.04   0.00   0.00   
1 1 1 17 17 14 o 22.709  0.3084 20.337  -0.0000   0.36   0.00   0.00   0.00   
1 1 1 17 17 15 o 26.985  0.2388 26.757  90.000    -0.00  -0.11  0.00   0.00   
1 1 1 17 17 16 o 17.570  0.2137 12.971  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 17 17 17 o 15.569  0.2372 15.332  89.900    -0.00  -0.03  0.00   0.00   
1 1 1 17 17 18 o 8.4912  0.3122 10.768  -180.0000 -0.31  0.00   0.00   0.00   
1 1 1 17 17 19 o 5.4222  0.4341 2.2111  -90.0000  0.00   0.08   0.00   0.00   
1 1 1 17 17 20 f 3.7550  0.6209 0.9019  -180.0000 -0.07  0.00   0.00   0.00   
1 1 1 17 17 21 o 7.4162  0.3902 9.5002  -90.0000  0.00   0.11   0.00   0.00   
1 1 1 17 17 22 o 13.115  0.3345 14.420  -0.0000   -0.17  0.00   0.00   0.00   
1 1 1 17 17 23 o 10.464  0.3824 10.591  90.000    0.00   0.57   0.00   0.00   
1 1 1 17 17 24 o 4.4159  0.7705 4.6757  -180.0000 -0.05  0.00   0.00   0.00   
1 1 1 17 17 25 o 0.0000  3.3015 ?       ?         -0.00  -0.04  0.00   0.00   
1 1 1 17 17 26 o 11.140  0.6239 ?       ?         1.29   0.00   0.00   0.00   
1 1 1 18 0  0  o 104.152 0.8712 79.884  180.000   0.13   0.00   0.00   0.00   
1 1 1 18 0  1  o 7.5631  0.1618 13.838  134.900   -0.01  0.01   0.00   0.00   
1 1 1 18 0  2  o 104.089 0.6070 109.967 -90.0000  0.00   0.30   0.00   0.00   
1 1 1 18 0  3  o 135.080 0.7546 113.530 -135.0000 -0.42  -0.42  0.00   0.00   
1 1 1 18 0  4  o 107.901 0.6087 106.595 180.000   -0.01  0.00   0.00   0.00   
1 1 1 18 0  5  o 34.910  0.2234 35.455  135.000   -0.10  0.10   0.00   0.00   
1 1 1 18 0  6  o 110.582 0.6308 98.498  90.000    0.00   0.01   0.00   0.00   
1 1 1 18 0  7  o 10.555  0.1541 3.5768  45.400    -0.00  -0.00  0.00   0.00   
1 1 1 18 0  8  o 9.1978  0.1969 9.2923  179.900   0.01   0.00   0.00   0.00   
1 1 1 18 0  9  o 38.368  0.3038 50.773  -45.0000  0.10   -0.10  0.00   0.00   
1 1 1 18 0  10 f 71.323  0.4466 89.772  -90.0000  -0.00  -0.23  0.00   0.00   
1 1 1 18 0  11 o 5.8566  0.2534 8.9232  45.200    0.05   0.05   0.00   0.00   
1 1 1 18 0  12 o 58.640  0.3804 45.931  -0.0000   -0.16  0.00   0.00   0.00   
1 1 1 18 0  13 o 9.9247  0.2169 9.1183  -45.0000  0.02   -0.02  0.00   0.00   
1 1 1 18 0  14 o 5.3852  0.3317 0.0459  104.900   0.00   0.02   0.00   0.00   
1 1 1 18 0  15 o 12.751  0.2273 19.815  45.100    -0.10  -0.10  0.00   0.00   
1 1 1 18 0  16 o 11.874  0.2434 7.9481  -179.8000 -0.04  0.00   0.00   0.00   
1 1 1 18 0  17 o 5.3479  0.4392 5.7090  135.000   0.00   -0.00  0.00   0.00   
1 1 1 18 0  18 o 12.174  0.2574 12.087  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 18 0  19 o 18.690  0.2508 16.713  -135.0000 0.28   0.28   0.00   0.00   
1 1 1 18 0  20 o 17.869  0.2375 20.045  0.0000    0.17   0.00   0.00   0.00   
1 1 1 18 0  21 o 8.0808  0.3779 6.3793  -45.0000  0.05   -0.05  0.00   0.00   
1 1 1 18 0  22 o 5.9917  0.4777 8.6959  90.000    0.00   0.05   0.00   0.00   
1 1 1 18 0  23 o 12.021  0.3279 10.958  -135.0000 -0.38  -0.38  0.00   0.00   
1 1 1 18 0  24 o 8.0250  0.3803 10.854  180.000   0.11   0.00   0.00   0.00   
1 1 1 18 0  25 f 13.457  0.4492 13.998  135.000   -0.47  0.47   0.00   0.00   
1 1 1 18 0  26 o 2.6077  1.3461 ?       ?         -0.00  -0.03  0.00   0.00   
1 1 1 18 1  0  o 41.905  0.2656 18.200  180.000   -0.10  0.00   0.00   0.00   
1 1 1 18 1  1  f 18.368  0.4462 34.071  79.200    3.07   -2.90  -0.23  1.78   
1 1 1 18 1  2  f 41.845  0.2271 6.7914  164.300   0.30   -0.60  0.10   0.28   
1 1 1 18 1  3  o 112.982 0.5073 93.173  -176.6000 -1.59  3.16   1.78   0.70   
1 1 1 18 1  4  o 19.908  0.4554 22.177  -109.1000 -5.00  -0.86  -2.17  -0.65  
1 1 1 18 1  5  o 63.870  0.2778 78.669  153.000   -0.20  1.12   0.88   -0.11  
1 1 1 18 1  6  o 36.631  0.2047 38.399  -33.9000  -0.00  -1.24  0.95   -0.21  
1 1 1 18 1  7  o 22.561  0.8220 32.292  -49.2000  6.06   -14.67 2.29   2.20   
1 1 1 18 1  8  o 29.796  0.2997 27.293  -145.3000 0.31   -4.12  1.83   0.49   
1 1 1 18 1  9  o 21.147  0.9203 27.041  -80.9000  2.85   -19.30 3.84   1.03   
1 1 1 18 1  10 o 82.515  0.3507 87.579  84.300    1.45   0.89   -0.92  0.29   
1 1 1 18 1  11 o 54.412  0.3430 52.767  66.500    2.19   0.58   -0.58  -0.04  
1 1 1 18 1  12 o 14.941  0.5070 4.2339  -110.4000 2.27   -3.39  0.31   0.62   
1 1 1 18 1  13 o 31.705  0.1739 30.704  107.100   -0.56  -0.07  -0.12  -0.18  
1 1 1 18 1  14 o 30.958  0.4236 25.007  136.200   -6.13  2.16   -1.44  1.60   
1 1 1 18 1  15 o 11.688  0.2308 18.464  -140.0000 -0.09  -0.84  0.12   -0.01  
1 1 1 18 1  16 o 21.803  0.2893 23.789  112.700   -0.13  1.07   0.11   0.06   
1 1 1 18 1  17 o 18.023  0.1889 17.650  -108.4000 0.60   -2.41  0.91   0.95   
1 1 1 18 1  18 o 27.070  0.1636 27.717  101.200   -0.05  0.87   0.21   -0.28  
1 1 1 18 1  19 o 13.125  0.6390 10.750  -173.1000 -1.24  2.29   0.11   0.12   
1 1 1 18 1  20 o 8.6609  0.2443 4.5235  -42.2000  -0.42  0.17   -0.25  -0.41  
1 1 1 18 1  21 o 19.764  0.1700 20.484  -131.1000 0.17   -0.71  0.11   -0.08  
1 1 1 18 1  22 o 6.6737  0.3040 5.0352  -34.5000  0.14   0.31   0.07   0.21   
1 1 1 18 1  23 o 10.947  0.3290 11.089  -171.6000 -0.36  0.23   -0.02  0.01   
1 1 1 18 1  24 o 11.907  0.2488 12.643  -69.5000  -0.18  -0.41  -0.07  0.04   
1 1 1 18 1  25 f 6.9017  0.7476 8.8373  -33.4000  -1.08  0.08   -0.04  0.05   
1 1 1 18 1  26 f 11.393  0.4125 ?       ?         0.48   1.55   -0.15  -0.12  
1 1 1 18 2  0  o 53.823  0.3259 65.936  -180.0000 -0.11  0.00   0.00   0.00   
1 1 1 18 2  1  o 65.394  0.2917 80.540  38.300    -0.01  -0.70  0.21   0.17   
1 1 1 18 2  2  o 76.661  0.3239 69.776  66.000    -1.28  0.92   0.56   1.58   
1 1 1 18 2  3  o 100.327 0.8248 106.114 9.0000    4.99   4.51   -0.92  -2.32  
1 1 1 18 2  4  o 29.224  0.2894 31.215  112.900   -0.34  0.84   0.11   0.14   
1 1 1 18 2  5  f 41.134  0.9609 31.804  -21.7000  9.78   -11.92 0.52   3.19   
1 1 1 18 2  6  f 29.823  0.5347 15.450  83.500    -3.64  6.85   1.21   1.96   
1 1 1 18 2  7  o 57.897  0.3328 45.346  -32.2000  0.92   1.43   0.22   -0.31  
1 1 1 18 2  8  o 27.400  0.2696 32.490  -113.8000 -0.92  0.45   -0.08  0.09   
1 1 1 18 2  9  o 25.785  0.2941 38.064  -82.2000  0.17   -1.45  0.26   0.02   
1 1 1 18 2  10 o 36.834  0.2186 45.228  -149.6000 -0.23  0.44   0.02   0.06   
1 1 1 18 2  11 o 28.989  0.2091 16.954  -7.4000   0.20   -0.21  0.49   -0.50  
1 1 1 18 2  12 o 24.328  0.8254 18.917  152.900   -8.73  6.06   -0.55  1.95   
1 1 1 18 2  13 o 23.163  0.4001 23.236  -179.2000 -2.87  -2.70  0.14   -1.21  
1 1 1 18 2  14 o 15.360  0.1423 10.195  -113.3000 0.08   -0.29  0.08   0.02   
1 1 1 18 2  15 o 25.321  0.3139 20.537  118.300   0.76   0.02   -0.06  0.01   
1 1 1 18 2  16 o 18.502  0.1962 13.695  106.600   -0.36  2.26   0.93   0.68   
1 1 1 18 2  17 o 38.620  0.3141 41.173  18.200    1.11   -3.04  0.96   0.18   
1 1 1 18 2  18 o 10.959  0.1948 9.4366  43.500    1.29   0.02   -0.43  -0.16  
1 1 1 18 2  19 o 22.369  0.3729 21.355  96.700    0.66   1.95   0.26   -0.07  
1 1 1 18 2  20 o 9.2967  0.2178 8.3132  12.300    -0.24  -0.06  0.06   -0.11  
1 1 1 18 2  21 o 13.646  0.1923 12.872  -18.2000  0.50   -0.25  0.03   0.11   
1 1 1 18 2  22 o 19.656  0.1859 21.836  139.200   -0.90  2.64   1.23   -1.04  
1 1 1 18 2  23 o 16.749  0.1933 17.350  103.400   -0.73  -0.79  0.24   0.15   
1 1 1 18 2  24 o 11.992  0.2331 10.405  126.700   0.18   -0.41  -0.00  -0.08  
1 1 1 18 2  25 o 3.9423  1.3270 4.5388  58.600    -0.19  -0.57  0.03   -0.00  
1 1 1 18 2  26 o 10.917  0.3789 ?       ?         0.85   0.35   0.11   0.04   
1 1 1 18 3  0  o 6.1968  0.1650 7.7096  -0.1000   -0.02  0.00   0.00   0.00   
1 1 1 18 3  1  o 86.793  1.3412 77.396  62.000    0.97   14.83  4.03   -0.00  
1 1 1 18 3  2  o 37.174  0.9487 14.431  -176.0000 -7.04  6.28   -0.31  1.89   
1 1 1 18 3  3  o 39.883  0.1938 24.508  51.000    -0.09  -1.05  0.87   -0.46  
1 1 1 18 3  4  o 19.108  0.4503 18.703  161.500   2.39   2.36   0.03   -0.96  
1 1 1 18 3  5  f 43.269  0.4323 53.551  56.500    1.62   3.13   0.43   -0.74  
1 1 1 18 3  6  o 42.314  0.8022 34.683  87.200    14.31  11.96  -1.54  -6.79  
1 1 1 18 3  7  o 48.667  0.4138 41.676  148.100   -4.10  -0.96  -1.09  -0.72  
1 1 1 18 3  8  o 58.080  0.2829 48.717  78.200    -1.19  1.29   -4.03  2.74   
1 1 1 18 3  9  o 21.444  0.1309 36.118  -105.0000 0.22   -0.33  0.01   0.09   
1 1 1 18 3  10 o 20.280  0.5239 27.414  -127.1000 -5.85  -0.64  -1.25  -0.19  
1 1 1 18 3  11 o 44.508  0.2219 46.689  140.900   -0.32  -0.61  0.02   -0.10  
1 1 1 18 3  12 o 32.861  0.1886 29.369  -122.2000 -0.05  -0.87  -2.40  2.67   
1 1 1 18 3  13 o 17.480  0.1391 11.699  -18.0000  -0.18  0.13   0.42   0.16   
1 1 1 18 3  14 o 18.881  0.1410 14.695  -6.0000   0.28   0.54   0.16   -0.12  
1 1 1 18 3  15 o 23.329  0.2728 22.567  44.300    -0.13  0.42   0.03   0.01   
1 1 1 18 3  16 o 8.6733  0.2117 9.0656  104.100   -0.81  -0.47  -0.15  -0.17  
1 1 1 18 3  17 o 15.511  0.1776 11.289  -142.6000 0.19   -0.01  0.02   0.18   
1 1 1 18 3  18 o 20.121  0.1893 16.868  -11.4000  -0.64  0.30   -0.02  0.13   
1 1 1 18 3  19 o 13.948  0.3500 15.113  44.200    0.53   1.43   0.10   -0.16  
1 1 1 18 3  20 f 16.360  0.5303 16.503  -8.8000   2.46   -1.43  -0.06  0.30   
1 1 1 18 3  21 o 8.4386  0.3148 5.7371  -10.9000  -0.70  -0.53  -0.07  -0.09  
1 1 1 18 3  22 o 17.352  0.1771 17.311  75.900    0.14   -0.40  -0.03  -0.10  
1 1 1 18 3  23 o 8.0667  0.3594 7.4887  27.400    0.11   1.52   0.20   -0.23  
1 1 1 18 3  24 o 3.7049  0.5423 2.2066  176.200   0.03   0.04   0.00   -0.00  
1 1 1 18 3  25 o 8.5048  0.3991 6.9944  88.300    0.03   0.07   0.00   0.00   
1 1 1 18 3  26 o 5.9215  0.7336 ?       ?         0.10   0.50   -0.03  0.02   
1 1 1 18 4  0  o 23.877  0.2014 23.563  -0.0000   -0.10  0.00   0.00   0.00   
1 1 1 18 4  1  o 123.046 1.3251 129.165 2.4000    3.28   -0.04  -0.29  -0.07  
1 1 1 18 4  2  o 86.776  0.8361 103.342 82.500    3.34   2.37   -0.37  -0.63  
1 1 1 18 4  3  o 39.304  0.3407 34.721  98.500    -1.13  0.57   -0.19  0.19   
1 1 1 18 4  4  o 114.061 0.4573 98.695  -83.8000  0.07   -0.33  0.01   0.04   
1 1 1 18 4  5  o 51.041  0.6979 56.736  56.700    4.52   1.47   -0.57  -0.36  
1 1 1 18 4  6  o 60.300  0.3806 38.067  -6.4000   -0.12  4.26   2.08   0.59   
1 1 1 18 4  7  o 31.205  0.2358 31.922  82.600    -2.77  -0.10  -3.55  -1.01  
1 1 1 18 4  8  o 40.488  0.5416 34.038  -118.1000 1.41   -7.23  1.92   0.58   
1 1 1 18 4  9  o 11.877  0.1466 5.5340  -81.6000  -0.49  0.01   -1.03  0.52   
1 1 1 18 4  10 o 31.785  0.4118 38.752  -38.0000  3.37   0.64   -0.58  -0.33  
1 1 1 18 4  11 o 35.665  0.7498 29.136  74.000    8.81   4.36   -0.98  -1.61  
1 1 1 18 4  12 o 14.029  0.2612 16.359  150.300   -1.66  -0.45  -0.37  -0.16  
1 1 1 18 4  13 o 48.075  0.2274 41.657  58.900    -0.04  0.10   -0.02  -0.01  
1 1 1 18 4  14 o 18.410  0.1586 16.993  131.800   0.03   0.02   -0.01  0.02   
1 1 1 18 4  15 o 29.410  0.1618 34.052  -131.4000 -0.57  -0.59  1.44   3.37   
1 1 1 18 4  16 o 30.925  0.1749 27.844  -149.1000 0.41   0.18   0.48   0.22   
1 1 1 18 4  17 o 21.682  0.2841 18.727  -157.1000 -2.95  0.44   -1.12  -0.12  
1 1 1 18 4  18 o 3.0951  0.4435 4.4056  111.300   0.18   0.18   -0.01  -0.02  
1 1 1 18 4  19 o 22.104  0.2036 21.492  48.200    0.27   -0.20  0.02   0.02   
1 1 1 18 4  20 o 13.418  0.1891 10.760  20.900    -0.47  1.18   0.59   -0.07  
1 1 1 18 4  21 o 10.392  0.2132 8.7334  60.800    -0.24  0.59   0.32   -0.14  
1 1 1 18 4  22 o 12.846  0.3578 13.461  -83.6000  2.32   -1.77  -0.57  0.50   
1 1 1 18 4  23 o 14.487  0.2027 15.613  72.600    0.18   0.62   0.05   0.09   
1 1 1 18 4  24 o 15.534  0.2052 13.730  -131.0000 -0.48  -1.29  -0.19  0.48   
1 1 1 18 4  25 o 17.164  0.2840 17.945  -158.1000 0.79   -0.97  -0.15  -0.13  
1 1 1 18 4  26 o 7.9544  1.0725 ?       ?         0.22   0.33   -0.00  -0.00  
1 1 1 18 5  0  o 31.873  0.2212 22.897  0.1000    0.01   0.00   0.00   0.00   
1 1 1 18 5  1  o 31.610  0.7796 19.181  86.200    0.08   13.55  5.51   0.19   
1 1 1 18 5  2  o 54.835  1.1424 59.812  -129.7000 -10.28 -9.68  -0.42  -3.32  
1 1 1 18 5  3  o 77.822  0.4325 90.765  -4.3000   1.92   -1.38  -0.02  0.81   
1 1 1 18 5  4  o 99.899  0.7938 88.986  171.000   -5.05  0.59   -1.13  -0.00  
1 1 1 18 5  5  o 111.523 0.4461 98.815  178.800   -0.24  0.16   -0.07  -0.14  
1 1 1 18 5  6  o 122.624 0.4901 123.276 145.700   -1.26  0.31   1.73   -0.61  
1 1 1 18 5  7  o 57.804  0.8424 57.821  -94.1000  -4.67  -5.70  0.13   -1.11  
1 1 1 18 5  8  o 40.767  0.3219 30.568  -162.0000 -2.61  0.64   -0.72  0.24   
1 1 1 18 5  9  o 68.326  0.8251 74.624  110.600   -3.07  7.21   1.32   0.86   
1 1 1 18 5  10 o 35.850  0.1818 38.523  11.400    0.26   0.11   0.33   0.57   
1 1 1 18 5  11 o 26.488  0.1682 23.284  63.000    0.22   -0.32  0.09   0.08   
1 1 1 18 5  12 o 17.982  0.2034 18.618  -23.2000  1.45   -2.02  0.18   1.42   
1 1 1 18 5  13 o 20.424  0.4248 25.333  -137.6000 -0.62  -0.73  0.00   -0.06  
1 1 1 18 5  14 o 35.189  0.2351 34.948  17.900    -1.18  0.83   -0.35  0.28   
1 1 1 18 5  15 o 26.138  0.3222 24.192  137.400   -1.35  1.83   0.23   0.40   
1 1 1 18 5  16 o 23.923  0.2764 19.268  -55.4000  -1.54  -3.21  0.53   -1.37  
1 1 1 18 5  17 o 13.776  0.1582 10.094  27.900    -0.27  -0.08  -0.17  0.28   
1 1 1 18 5  18 o 10.990  0.1853 11.566  149.200   -0.13  0.23   0.02   0.01   
1 1 1 18 5  19 o 7.0215  0.2579 4.3742  -55.0000  0.01   0.53   0.11   -0.07  
1 1 1 18 5  20 o 7.8028  0.3589 9.1348  143.200   -0.68  0.39   -0.02  0.07   
1 1 1 18 5  21 o 9.0277  0.2593 7.0552  98.900    0.95   0.41   -0.41  -0.03  
1 1 1 18 5  22 o 6.7401  0.4611 7.0890  147.000   -1.69  -0.07  -0.25  -0.17  
1 1 1 18 5  23 o 19.959  0.2004 20.205  103.300   -0.81  1.85   -0.01  -0.82  
1 1 1 18 5  24 o 7.6262  0.3045 7.3926  109.000   0.25   0.29   -0.03  0.10   
1 1 1 18 5  25 o 12.655  0.3119 12.641  -65.2000  1.32   -0.88  -0.27  -0.27  
1 1 1 18 5  26 o 8.1604  0.6886 ?       ?         0.37   0.04   0.00   -0.01  
1 1 1 18 6  0  o 24.950  0.1909 1.2421  178.200   -0.05  0.00   0.00   0.00   
1 1 1 18 6  1  o 27.395  0.2069 20.828  -141.5000 -0.09  1.07   0.47   0.15   
1 1 1 18 6  2  o 40.292  0.2183 67.894  -50.0000  0.92   -0.18  -0.54  0.47   
1 1 1 18 6  3  o 18.726  0.3776 18.113  53.800    -0.62  7.20   6.32   1.45   
1 1 1 18 6  4  f 44.276  0.2910 35.110  -142.2000 -3.34  1.40   -1.23  1.64   
1 1 1 18 6  5  f 143.266 1.0213 118.373 -91.7000  -2.78  -3.96  -0.10  -1.04  
1 1 1 18 6  6  o 53.387  0.4040 42.078  96.200    3.24   1.71   -0.51  -1.09  
1 1 1 18 6  7  o 34.650  0.4785 33.924  78.100    0.99   5.30   1.30   -0.61  
1 1 1 18 6  8  o 72.232  0.3041 57.361  17.300    0.73   -0.40  1.22   0.62   
1 1 1 18 6  9  o 40.095  0.2647 37.008  15.300    2.19   -0.47  -0.64  0.55   
1 1 1 18 6  10 o 24.461  0.3412 22.777  52.000    1.04   3.71   0.95   -0.76  
1 1 1 18 6  11 o 36.637  0.1812 42.530  -167.0000 0.10   -0.63  0.16   0.24   
1 1 1 18 6  12 o 24.663  0.5225 29.383  -23.3000  4.75   -1.74  -0.62  0.65   
1 1 1 18 6  13 o 7.5518  0.1882 5.8587  -124.1000 -0.02  0.10   0.14   -0.08  
1 1 1 18 6  14 o 41.639  0.6079 34.660  30.800    4.03   4.18   -0.26  -1.15  
1 1 1 18 6  15 o 15.648  0.1922 13.896  156.400   -0.46  0.79   0.06   0.19   
1 1 1 18 6  16 o 11.573  0.1632 10.160  65.800    0.26   0.17   0.05   -0.21  
1 1 1 18 6  17 o 18.479  0.1898 18.116  -70.0000  -1.32  -1.34  0.51   -0.86  
1 1 1 18 6  18 o 18.850  0.3563 19.060  -11.2000  2.44   2.06   0.11   -0.70  
1 1 1 18 6  19 o 19.674  0.1661 20.748  48.700    -0.46  -0.53  0.27   0.41   
1 1 1 18 6  20 o 7.8081  0.5824 11.749  101.900   1.63   3.27   0.26   -0.53  
1 1 1 18 6  21 o 17.269  0.1839 16.179  -151.0000 -0.32  0.09   0.12   -0.04  
1 1 1 18 6  22 o 6.3411  0.3094 7.0895  -108.4000 0.04   -0.15  0.01   -0.00  
1 1 1 18 6  23 f 17.912  0.1916 18.803  -116.9000 0.12   0.58   0.01   0.06   
1 1 1 18 6  24 o 6.9438  0.3438 7.6023  174.300   -0.39  0.37   0.14   -0.10  
1 1 1 18 6  25 o 17.932  0.3840 17.822  156.100   -0.60  0.05   -0.01  -0.02  
1 1 1 18 6  26 o 6.2823  0.6667 ?       ?         -0.16  0.03   0.00   -0.00  
1 1 1 18 7  0  o 66.971  0.4067 34.860  179.900   -0.15  0.00   0.00   0.00   
1 1 1 18 7  1  o 40.367  1.0243 47.916  175.400   -10.37 -2.11  -1.86  -0.90  
1 1 1 18 7  2  o 55.839  0.4224 41.045  -123.9000 -1.06  0.41   -0.10  0.14   
1 1 1 18 7  3  o 55.385  0.2400 45.353  32.900    0.08   0.37   0.28   0.08   
1 1 1 18 7  4  o 23.925  0.2308 36.379  168.800   -0.17  -1.96  0.74   -0.19  
1 1 1 18 7  5  o 94.214  0.7095 78.867  32.300    -0.66  4.17   0.78   0.47   
1 1 1 18 7  6  o 67.004  0.4006 55.047  62.800    -0.44  -1.53  0.18   -0.18  
1 1 1 18 7  7  o 37.946  0.2004 48.367  90.300    0.36   -0.86  0.28   0.75   
1 1 1 18 7  8  o 41.440  0.3419 40.483  -60.6000  -1.06  -1.97  0.20   -0.43  
1 1 1 18 7  9  o 50.968  0.2380 41.070  -163.6000 -0.84  0.09   -0.15  1.02   
1 1 1 18 7  10 o 49.355  0.2315 30.837  41.900    -0.41  -0.19  -0.11  -0.01  
1 1 1 18 7  11 o 22.851  0.1626 28.145  -110.4000 -0.39  -0.12  -0.56  0.65   
1 1 1 18 7  12 o 14.011  0.2285 9.8731  -35.3000  -2.10  -3.05  1.23   -2.23  
1 1 1 18 7  13 o 37.419  0.4112 38.100  94.200    -1.50  3.77   0.62   1.11   
1 1 1 18 7  14 o 23.651  0.1658 18.290  -87.6000  -0.29  -0.35  0.18   -0.12  
1 1 1 18 7  15 o 24.723  0.2345 23.547  -15.2000  -1.21  1.52   -0.04  0.63   
1 1 1 18 7  16 o 23.312  0.2029 23.366  -1.7000   1.03   -0.14  -0.22  -0.03  
1 1 1 18 7  17 o 30.170  0.2147 30.090  -88.7000  -1.04  -0.99  -0.30  -0.30  
1 1 1 18 7  18 o 26.645  0.4670 24.070  49.800    8.26   -0.13  -2.43  0.92   
1 1 1 18 7  19 o 21.744  0.1647 21.712  34.900    0.15   0.21   -0.03  0.05   
1 1 1 18 7  20 f 6.9714  0.2591 11.290  74.000    0.33   0.09   0.55   0.36   
1 1 1 18 7  21 o 12.009  0.3116 13.265  151.900   -1.46  -0.08  -0.21  -0.14  
1 1 1 18 7  22 o 5.4005  0.3597 7.0189  99.900    -0.17  -0.14  -0.05  0.01   
1 1 1 18 7  23 o 14.350  0.2076 13.553  -120.9000 0.08   0.10   0.00   0.00   
1 1 1 18 7  24 o 10.488  0.2600 11.177  -121.6000 0.25   0.47   -0.08  -0.02  
1 1 1 18 7  25 o 5.8881  0.5846 4.2126  109.900   -0.72  0.53   -0.09  -0.01  
1 1 1 18 7  26 o 11.537  0.5222 ?       ?         -1.76  -0.90  -0.16  0.18   
1 1 1 18 8  0  f 77.400  0.4949 72.832  -0.1000   -0.34  0.00   0.00   0.00   
1 1 1 18 8  1  o 37.597  0.1713 47.494  103.800   -0.00  -0.05  0.00   0.00   
1 1 1 18 8  2  o 57.261  0.3430 67.142  1.9000    2.53   -1.94  -0.06  1.95   
1 1 1 18 8  3  o 52.733  0.6623 43.679  -27.6000  7.64   0.45   -1.87  -0.37  
1 1 1 18 8  4  o 38.495  0.3697 7.7526  -137.8000 1.60   -5.75  3.15   1.52   
1 1 1 18 8  5  o 38.727  0.1977 36.327  -74.8000  -2.33  -1.18  -1.00  -1.98  
1 1 1 18 8  6  o 37.204  0.2878 30.515  133.300   -0.94  2.94   1.06   0.59   
1 1 1 18 8  7  o 25.038  0.1949 28.937  -137.0000 -1.51  -0.29  -0.44  -0.24  
1 1 1 18 8  8  o 36.684  0.2384 41.917  99.700    2.37   -0.30  -1.26  -0.08  
1 1 1 18 8  9  o 15.034  0.1176 15.408  49.100    -0.13  0.09   -0.16  0.10   
1 1 1 18 8  10 o 13.375  0.1474 10.689  -167.9000 -0.84  -0.50  -0.34  -0.41  
1 1 1 18 8  11 o 27.953  0.3748 20.170  -103.6000 -0.02  -1.73  0.24   0.04   
1 1 1 18 8  12 o 12.079  0.1973 11.387  1.0000    -1.19  -2.31  1.12   -1.19  
1 1 1 18 8  13 o 19.216  0.3505 18.712  -110.2000 -2.04  -2.25  -0.05  -0.88  
1 1 1 18 8  14 o 45.204  0.4794 43.686  57.100    2.33   2.47   -0.21  -0.64  
1 1 1 18 8  15 o 26.305  0.1594 22.698  -122.6000 0.23   -0.59  0.41   -0.11  
1 1 1 18 8  16 o 19.134  0.2581 16.738  162.400   -0.31  -0.26  -0.01  -0.02  
1 1 1 18 8  17 o 19.674  0.3915 17.179  169.700   -3.18  -1.79  -0.24  -0.96  
1 1 1 18 8  18 o 9.6283  0.1991 8.5120  99.400    1.36   1.20   0.21   -0.90  
1 1 1 18 8  19 o 19.024  0.1646 11.824  143.300   -0.27  0.05   0.01   0.04   
1 1 1 18 8  20 o 6.8341  0.2501 8.0836  46.600    0.29   0.08   0.37   -0.16  
1 1 1 18 8  21 o 4.0034  0.4560 3.3741  -100.8000 -0.11  -0.11  -0.00  -0.00  
1 1 1 18 8  22 o 7.9810  0.2846 8.7430  65.800    -0.05  0.86   0.11   0.19   
1 1 1 18 8  23 o 15.025  0.4709 15.640  28.300    0.25   -0.19  0.00   0.01   
1 1 1 18 8  24 o 15.486  0.3880 14.690  168.200   -0.47  -0.41  0.03   -0.01  
1 1 1 18 8  25 o 5.4420  0.4953 4.3605  31.700    0.35   0.41   -0.08  0.00   
1 1 1 18 8  26 o 8.4705  0.5262 ?       ?         0.17   0.24   0.00   0.00   
1 1 1 18 9  0  o 90.373  0.5127 71.101  -0.0000   0.30   0.00   0.00   0.00   
1 1 1 18 9  1  o 50.280  0.4901 52.099  152.600   1.13   2.44   0.34   -0.54  
1 1 1 18 9  2  o 54.835  0.4029 56.894  31.900    1.24   0.65   -0.08  -0.17  
1 1 1 18 9  3  o 60.141  0.4088 63.086  -116.8000 -3.84  -0.44  -1.61  -0.07  
1 1 1 18 9  4  o 102.076 0.4174 95.607  -164.3000 -0.47  0.00   0.05   0.34   
1 1 1 18 9  5  o 25.908  0.1329 24.927  130.700   0.49   0.77   0.14   -0.47  
1 1 1 18 9  6  o 43.989  0.5068 43.862  -168.6000 -4.15  3.11   -0.24  1.18   
1 1 1 18 9  7  o 43.476  0.6142 43.836  46.200    7.83   10.04  0.72   -4.38  
1 1 1 18 9  8  o 26.737  0.6955 18.476  -106.7000 9.83   -6.01  -1.31  2.23   
1 1 1 18 9  9  o 27.101  0.5686 22.766  75.900    0.14   9.00   2.23   0.11   
1 1 1 18 9  10 o 8.4178  0.2171 11.741  5.8000    0.36   2.21   1.05   -0.26  
1 1 1 18 9  11 o 30.035  0.4135 27.731  -90.8000  0.35   -2.51  0.46   0.03   
1 1 1 18 9  12 o 15.204  0.7171 14.143  88.300    -0.46  14.71  3.84   0.42   
1 1 1 18 9  13 o 29.857  0.1617 30.288  29.600    0.11   0.05   0.04   -0.04  
1 1 1 18 9  14 o 20.100  0.3108 15.483  -107.8000 -1.65  -3.09  0.93   -0.92  
1 1 1 18 9  15 o 28.051  0.1635 24.576  -21.1000  0.76   -0.35  -0.02  0.25   
1 1 1 18 9  16 o 21.512  0.1499 15.378  169.500   -1.27  0.04   -0.88  -0.66  
1 1 1 18 9  17 o 11.983  0.1696 10.665  -64.3000  0.29   -0.63  0.06   0.19   
1 1 1 18 9  18 o 18.825  0.1608 15.098  -149.8000 -0.62  -0.15  -0.23  0.13   
1 1 1 18 9  19 o 9.0088  0.3493 8.2374  -176.8000 -1.01  1.28   0.17   0.26   
1 1 1 18 9  20 o 8.5396  0.2325 8.1571  49.600    -0.47  -0.22  -0.01  -0.12  
1 1 1 18 9  21 o 8.9980  0.4611 8.3919  -127.0000 1.22   -1.79  -0.01  0.35   
1 1 1 18 9  22 o 11.531  0.2244 11.447  64.400    0.57   0.75   0.37   0.07   
1 1 1 18 9  23 o 19.331  0.1975 20.020  17.100    0.99   0.62   0.26   0.04   
1 1 1 18 9  24 o 5.2343  0.5037 5.5352  -20.5000  0.82   -0.36  -0.13  -0.03  
1 1 1 18 9  25 o 6.0032  0.4994 3.8408  24.100    -0.14  0.07   0.00   0.00   
1 1 1 18 9  26 o 8.9534  0.6894 ?       ?         -0.00  -0.29  -0.00  -0.00  
1 1 1 18 10 0  o 35.360  0.2722 39.973  0.0000    0.19   0.00   0.00   0.00   
1 1 1 18 10 1  o 52.160  0.6732 40.605  -66.6000  4.46   -7.74  1.10   2.29   
1 1 1 18 10 2  o 51.721  0.4160 66.139  -145.6000 -4.21  1.23   -1.51  0.71   
1 1 1 18 10 3  f 86.466  1.5257 82.378  29.200    8.71   13.76  0.92   -2.52  
1 1 1 18 10 4  o 31.402  0.1494 32.015  30.000    -0.03  0.08   -0.01  0.10   
1 1 1 18 10 5  o 63.106  0.2703 68.967  142.700   -0.02  -0.71  0.33   0.19   
1 1 1 18 10 6  o 26.132  0.7054 41.131  -135.8000 0.73   -12.27 2.51   0.39   
1 1 1 18 10 7  o 13.913  0.3232 16.493  -28.7000  4.99   -0.31  -1.68  0.15   
1 1 1 18 10 8  o 45.797  0.2613 43.293  -172.6000 -2.09  -3.75  2.63   -2.05  
1 1 1 18 10 9  o 19.280  0.1472 31.909  90.300    -0.53  0.70   0.02   0.28   
1 1 1 18 10 10 o 21.351  0.2861 15.942  168.100   -2.03  -4.19  1.08   -1.81  
1 1 1 18 10 11 o 30.962  0.1679 29.793  -154.7000 -0.39  0.14   -0.02  0.15   
1 1 1 18 10 12 o 13.047  0.1351 6.4711  -63.3000  0.21   -0.38  0.03   0.13   
1 1 1 18 10 13 o 24.650  0.6916 22.846  15.100    7.69   5.42   -0.67  -1.50  
1 1 1 18 10 14 o 33.942  0.2001 35.303  91.300    -0.37  0.82   -0.03  0.36   
1 1 1 18 10 15 o 12.066  0.3369 12.852  66.200    1.63   0.77   -0.26  -0.23  
1 1 1 18 10 16 o 5.9865  0.2474 7.3614  176.500   0.18   0.19   -0.01  -0.06  
1 1 1 18 10 17 o 36.782  0.1947 33.489  -2.1000   1.07   -0.61  0.60   -1.08  
1 1 1 18 10 18 o 10.432  0.3207 11.192  -63.9000  1.79   -1.88  -0.16  0.68   
1 1 1 18 10 19 o 20.924  0.2436 21.584  -75.6000  0.12   -0.80  0.09   -0.05  
1 1 1 18 10 20 o 13.826  0.1899 11.914  65.600    0.37   0.43   0.29   0.54   
1 1 1 18 10 21 o 10.533  0.3329 9.5355  166.200   -0.70  -1.72  0.45   -0.08  
1 1 1 18 10 22 o 8.0679  0.2768 6.5754  -114.1000 -0.24  0.20   0.01   0.02   
1 1 1 18 10 23 o 17.824  0.1948 19.583  -111.4000 -0.32  -2.20  -0.71  1.04   
1 1 1 18 10 24 o 8.1681  0.3604 8.5411  39.200    0.71   0.81   0.23   0.32   
1 1 1 18 10 25 o 14.697  0.2959 14.571  164.100   -1.12  1.84   0.08   -0.62  
1 1 1 18 10 26 o 4.9153  0.7927 ?       ?         0.16   0.26   0.00   0.01   
1 1 1 18 11 0  o 42.164  0.3119 25.506  -0.0000   0.06   0.00   0.00   0.00   
1 1 1 18 11 1  o 28.626  0.4193 32.012  -13.0000  -2.79  -2.47  -0.06  -0.90  
1 1 1 18 11 2  o 65.646  0.8584 74.400  11.300    9.75   -2.38  -2.07  1.34   
1 1 1 18 11 3  o 91.967  0.3903 88.842  -108.2000 -0.50  -0.13  -0.24  0.38   
1 1 1 18 11 4  o 25.607  0.5273 19.263  146.200   -13.72 4.70   -5.10  4.27   
1 1 1 18 11 5  o 92.042  0.3765 85.538  -63.1000  1.82   0.82   0.18   -1.75  
1 1 1 18 11 6  o 102.346 0.6923 104.102 68.400    3.29   4.87   -0.16  -1.87  
1 1 1 18 11 7  o 26.098  0.2136 20.087  82.200    -1.38  0.13   -0.39  -0.00  
1 1 1 18 11 8  o 29.070  0.1936 27.488  -1.0000   1.00   -2.04  2.12   1.31   
1 1 1 18 11 9  o 20.755  0.1738 19.360  89.800    2.30   1.07   -1.42  -1.13  
1 1 1 18 11 10 o 13.496  0.1243 16.916  -44.4000  0.28   0.51   2.00   -0.72  
1 1 1 18 11 11 o 14.436  0.3748 13.390  -47.2000  5.44   -1.50  -1.65  1.19   
1 1 1 18 11 12 o 28.528  0.3283 29.755  -68.0000  1.14   -2.49  0.35   0.75   
1 1 1 18 11 13 o 31.033  0.2560 28.242  -128.8000 -1.97  -1.68  0.11   -0.91  
1 1 1 18 11 14 o 27.574  0.4417 27.837  -174.2000 -2.13  1.48   -0.05  0.33   
1 1 1 18 11 15 o 32.237  0.1746 33.473  116.300   -0.32  -0.30  -0.16  0.49   
1 1 1 18 11 16 o 23.220  0.4060 21.231  137.000   -4.71  1.71   -1.00  0.54   
1 1 1 18 11 17 f 8.0905  0.2385 3.7956  121.200   -0.16  -0.54  0.07   -0.09  
1 1 1 18 11 18 o 5.9016  0.5452 8.0095  167.000   -2.28  0.79   -0.21  0.21   
1 1 1 18 11 19 o 19.142  0.3453 16.527  -138.2000 -2.35  0.01   -0.39  0.24   
1 1 1 18 11 20 o 18.286  0.1768 19.525  147.300   -1.38  -0.31  -0.05  -0.67  
1 1 1 18 11 21 o 13.879  0.3323 13.089  -175.9000 -1.25  -0.12  -0.16  0.10   
1 1 1 18 11 22 o 7.9309  0.2804 8.4100  110.500   -0.01  0.36   -0.17  0.07   
1 1 1 18 11 23 o 4.8240  0.7677 3.7346  114.000   0.21   1.15   0.05   -0.05  
1 1 1 18 11 24 o 2.8510  0.7137 1.8668  -62.1000  -0.03  -0.30  -0.06  0.06   
1 1 1 18 11 25 o 7.2351  0.4042 ?       ?         -0.02  -0.66  0.02   0.06   
1 1 1 18 11 26 o 5.1089  0.9060 ?       ?         0.20   0.98   -0.08  0.04   
1 1 1 18 12 0  o 4.1593  0.2059 33.135  180.000   -0.01  0.00   0.00   0.00   
1 1 1 18 12 1  o 67.988  0.3797 57.625  -85.3000  -0.19  -0.70  0.07   -0.08  
1 1 1 18 12 2  o 69.570  0.2948 82.850  160.600   -0.33  0.24   1.11   -0.68  
1 1 1 18 12 3  o 52.374  0.9163 49.440  -117.5000 -7.33  -9.14  0.58   -2.02  
1 1 1 18 12 4  o 35.502  0.6836 27.838  82.700    -0.67  5.42   0.61   0.18   
1 1 1 18 12 5  o 57.199  0.8691 51.957  -135.6000 1.32   -12.13 2.78   0.86   
1 1 1 18 12 6  o 13.963  0.1165 13.738  26.400    -0.15  0.46   1.08   1.83   
1 1 1 18 12 7  o 34.655  0.1693 34.250  41.100    -0.15  0.84   0.54   1.31   
1 1 1 18 12 8  o 7.7604  0.3011 7.5342  172.100   -4.16  -3.38  -0.41  -2.51  
1 1 1 18 12 9  o 57.426  0.2639 62.585  -154.4000 -0.26  0.18   0.14   -0.06  
1 1 1 18 12 10 o 26.427  0.3980 28.264  -0.9000   3.03   4.28   0.95   -1.67  
1 1 1 18 12 11 o 31.245  0.1725 33.521  -161.9000 -0.15  0.18   0.08   -0.34  
1 1 1 18 12 12 o 11.489  0.1529 12.081  49.500    -0.26  -0.37  0.01   -0.18  
1 1 1 18 12 13 o 19.683  0.4397 18.881  -41.2000  -5.15  -3.82  -0.59  -1.47  
1 1 1 18 12 14 o 42.603  0.2193 39.708  178.200   0.41   -0.25  -0.19  -0.08  
1 1 1 18 12 15 o 25.548  0.1505 30.865  -97.7000  0.39   -0.45  -0.78  0.05   
1 1 1 18 12 16 o 30.050  0.1973 28.404  5.2000    1.12   -0.44  -0.06  0.30   
1 1 1 18 12 17 o 11.366  0.1874 11.825  110.900   -0.78  0.87   -0.32  0.72   
1 1 1 18 12 18 o 23.513  0.5356 23.353  140.800   -8.71  -1.47  -2.01  -1.58  
1 1 1 18 12 19 o 8.0510  0.2264 8.5560  49.000    0.42   0.04   0.46   0.64   
1 1 1 18 12 20 o 12.559  0.2002 11.279  -104.6000 -0.02  0.17   -0.01  -0.05  
1 1 1 18 12 21 o 6.2886  0.3191 4.3430  29.200    -0.07  0.22   -0.10  -0.07  
1 1 1 18 12 22 o 4.6946  0.4280 5.4185  137.600   0.11   -0.31  -0.10  0.07   
1 1 1 18 12 23 o 6.1322  0.3503 6.3427  128.500   -0.63  -0.09  -0.00  -0.16  
1 1 1 18 12 24 o 8.8768  0.3259 9.2367  126.800   0.08   0.61   -0.04  -0.07  
1 1 1 18 12 25 o 5.7836  0.8305 ?       ?         0.33   -1.07  -0.05  0.08   
1 1 1 18 12 26 o 7.3772  1.4229 ?       ?         -0.09  0.07   0.00   0.00   
1 1 1 18 13 0  o 8.1670  0.1797 16.228  -0.1000   0.02   0.00   0.00   0.00   
1 1 1 18 13 1  o 33.585  0.2052 41.514  30.900    -0.04  -0.52  1.46   -2.73  
1 1 1 18 13 2  o 41.456  0.3745 27.790  98.100    1.66   -0.62  -0.16  0.17   
1 1 1 18 13 3  o 33.664  0.4900 32.168  99.600    -1.57  3.29   0.30   0.42   
1 1 1 18 13 4  o 36.029  0.1965 37.664  63.700    -2.74  0.13   -1.93  0.52   
1 1 1 18 13 5  o 59.051  0.2750 70.790  -7.1000   0.28   -0.75  0.19   0.04   
1 1 1 18 13 6  o 25.640  0.1660 21.383  -71.0000  -0.50  -0.35  -0.08  -0.13  
1 1 1 18 13 7  o 19.118  0.3411 18.213  -60.0000  2.21   -5.40  1.96   1.64   
1 1 1 18 13 8  o 20.622  0.7622 12.042  99.800    -18.90 -0.09  -6.46  -0.43  
1 1 1 18 13 9  o 29.197  0.4846 26.438  -104.6000 -5.82  -5.59  0.23   -2.63  
1 1 1 18 13 10 o 10.944  0.2015 12.429  -24.5000  2.64   1.13   -1.64  -1.30  
1 1 1 18 13 11 o 28.871  0.1624 29.781  -174.9000 -0.10  -0.26  0.20   0.14   
1 1 1 18 13 12 o 28.960  0.4607 27.945  -29.1000  3.84   2.73   -0.15  -1.44  
1 1 1 18 13 13 o 22.425  0.1840 18.311  167.400   0.09   -0.24  -0.18  -0.39  
1 1 1 18 13 14 o 48.576  0.7913 51.408  -134.5000 -8.85  -3.87  -1.52  -1.01  
1 1 1 18 13 15 o 9.7047  0.3386 8.9609  61.800    0.58   -0.72  0.01   0.06   
1 1 1 18 13 16 o 23.681  0.1570 17.669  155.000   0.16   -0.27  0.11   -0.08  
1 1 1 18 13 17 o 9.3059  0.1866 4.9949  -136.6000 -0.07  -0.01  0.06   0.02   
1 1 1 18 13 18 o 22.337  0.1648 24.347  -46.0000  1.10   -0.96  -0.55  0.28   
1 1 1 18 13 19 o 9.9326  0.2100 8.4932  62.100    -0.12  0.53   0.17   -0.07  
1 1 1 18 13 20 o 4.1906  0.4023 2.8762  178.900   -0.00  0.14   0.01   -0.03  
1 1 1 18 13 21 f 11.711  0.2197 13.904  140.700   0.11   0.40   -0.03  0.16   
1 1 1 18 13 22 o 11.563  0.2094 12.507  163.700   0.28   0.80   -0.16  -0.27  
1 1 1 18 13 23 o 4.2972  0.4762 3.8927  58.800    -0.23  0.15   -0.04  -0.01  
1 1 1 18 13 24 o 5.7197  0.4552 6.5183  75.000    -0.06  0.23   0.01   -0.02  
1 1 1 18 13 25 o 5.3284  1.1991 ?       ?         0.46   -0.18  -0.01  -0.02  
1 1 1 18 13 26 o 13.065  0.4701 ?       ?         0.61   1.66   -0.11  0.04   
1 1 1 18 14 0  o 24.010  0.2616 37.646  -180.0000 -0.16  0.00   0.00   0.00   
1 1 1 18 14 1  o 26.662  0.2138 17.268  114.800   1.39   0.84   -0.33  -0.49  
1 1 1 18 14 2  o 10.282  0.0924 27.660  83.900    -0.19  0.04   -0.34  0.29   
1 1 1 18 14 3  o 36.331  0.1934 28.431  121.600   0.16   0.03   0.86   -0.31  
1 1 1 18 14 4  o 29.346  0.3877 38.646  -170.9000 -4.61  -6.63  0.97   -3.38  
1 1 1 18 14 5  o 41.505  0.5486 21.109  -68.5000  -5.35  -9.06  1.43   -3.23  
1 1 1 18 14 6  o 28.450  0.1918 24.350  -33.6000  0.20   0.28   0.02   -0.03  
1 1 1 18 14 7  f 26.456  0.1473 33.488  79.600    -0.22  0.23   -1.36  -1.46  
1 1 1 18 14 8  o 25.218  0.2407 24.282  -50.2000  0.30   0.65   0.06   -0.05  
1 1 1 18 14 9  o 39.497  0.2586 32.803  -108.1000 -3.39  -0.35  -1.93  0.37   
1 1 1 18 14 10 o 8.9840  0.1520 9.7366  -72.4000  -0.06  0.17   0.05   0.34   
1 1 1 18 14 11 f 35.066  0.2182 32.104  162.100   -1.08  -1.07  -0.20  -0.44  
1 1 1 18 14 12 o 25.880  0.5992 27.415  -164.3000 -4.47  -1.52  -0.36  -0.33  
1 1 1 18 14 13 o 19.581  0.5202 16.723  63.800    4.46   2.13   -0.78  -0.73  
1 1 1 18 14 14 o 21.227  0.3863 20.509  24.500    2.18   -1.32  -0.12  0.46   
1 1 1 18 14 15 o 15.971  0.1774 12.929  -145.9000 -0.26  -0.62  0.05   -0.10  
1 1 1 18 14 16 o 13.927  0.1577 14.672  -149.0000 0.51   -0.30  0.39   0.55   
1 1 1 18 14 17 o 11.970  0.1682 10.594  -169.8000 -0.55  0.15   -0.12  0.01   
1 1 1 18 14 18 o 17.430  0.1645 16.676  -102.1000 -0.97  -0.50  -0.52  0.18   
1 1 1 18 14 19 o 19.317  0.3985 20.060  -123.9000 0.27   -2.85  0.38   0.32   
1 1 1 18 14 20 o 10.977  0.3855 8.0500  98.200    -1.57  2.10   0.32   0.41   
1 1 1 18 14 21 o 14.982  0.3217 14.203  58.500    1.38   0.08   -0.15  0.11   
1 1 1 18 14 22 o 2.7799  0.5491 2.7944  -88.5000  0.03   0.07   -0.00  -0.01  
1 1 1 18 14 23 o 13.385  0.2347 13.097  -155.1000 -0.14  0.07   0.01   -0.00  
1 1 1 18 14 24 o 6.7600  0.3788 6.4690  -129.7000 -0.14  0.54   -0.01  -0.11  
1 1 1 18 14 25 o 12.530  0.3907 ?       ?         0.53   -0.75  0.01   -0.06  
1 1 1 18 14 26 o 4.5727  2.0225 ?       ?         0.29   -0.28  0.02   0.00   
1 1 1 18 15 0  o 6.8484  0.1078 3.0876  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 18 15 1  o 18.904  0.5920 23.231  46.500    -7.15  14.03  3.50   5.09   
1 1 1 18 15 2  o 46.385  0.9604 48.795  -103.9000 -0.12  -4.58  0.31   -0.03  
1 1 1 18 15 3  o 51.172  1.0518 39.939  -49.7000  14.18  -16.85 1.15   4.73   
1 1 1 18 15 4  f 7.0263  0.1110 4.0524  7.7000    -0.38  0.87   0.60   0.73   
1 1 1 18 15 5  o 40.075  0.2043 26.075  -100.9000 1.85   -1.20  -1.31  1.45   
1 1 1 18 15 6  o 26.214  0.1433 23.747  128.100   -0.17  0.15   0.70   -0.07  
1 1 1 18 15 7  o 20.112  0.1713 16.716  79.300    1.28   -0.20  -1.46  -0.11  
1 1 1 18 15 8  o 18.856  0.4063 24.618  -26.8000  3.85   -1.35  -0.56  0.53   
1 1 1 18 15 9  o 40.910  0.2010 47.670  174.300   -0.97  -0.04  -0.34  0.32   
1 1 1 18 15 10 o 42.681  0.2415 38.327  -97.6000  0.37   -0.67  -1.13  -0.03  
1 1 1 18 15 11 f 12.418  0.1667 5.6344  165.800   -0.07  -0.08  0.17   0.14   
1 1 1 18 15 12 f 49.663  0.4505 51.566  -166.3000 -2.69  -2.25  0.11   -0.67  
1 1 1 18 15 13 o 16.851  0.1577 16.687  -119.9000 0.04   -0.18  -0.01  0.14   
1 1 1 18 15 14 o 39.416  0.1984 39.079  43.400    1.59   0.36   -0.77  0.44   
1 1 1 18 15 15 o 15.251  0.3178 16.263  -93.0000  -0.94  -0.10  -0.06  -0.02  
1 1 1 18 15 16 o 20.679  0.1710 18.518  -51.0000  2.16   -0.80  -1.56  0.15   
1 1 1 18 15 17 f 6.8183  0.2601 4.6744  -31.8000  -0.20  0.28   0.06   0.06   
1 1 1 18 15 18 o 9.5233  0.2208 8.0648  134.000   -1.42  -0.25  -0.33  -0.43  
1 1 1 18 15 19 o 12.727  0.1893 11.549  -148.5000 0.06   -0.11  0.01   -0.00  
1 1 1 18 15 20 o 22.048  0.3231 24.571  -64.8000  -1.97  -2.69  -0.37  -0.83  
1 1 1 18 15 21 o 9.4503  0.2634 7.2727  -11.0000  0.21   0.22   -0.04  0.08   
1 1 1 18 15 22 f 6.6112  0.3451 6.9638  2.5000    0.85   0.55   0.09   -0.18  
1 1 1 18 15 23 o 13.422  0.5309 13.498  125.200   1.11   3.84   0.14   -0.74  
1 1 1 18 15 24 o 9.4423  0.5887 9.0797  125.900   -3.42  1.89   -0.64  0.17   
1 1 1 18 15 25 o 3.0538  0.9172 ?       ?         -0.09  -0.01  0.00   -0.00  
1 1 1 18 15 26 o 2.7832  1.6876 ?       ?         -0.30  -0.09  0.00   0.01   
1 1 1 18 16 0  o 34.621  0.4434 40.465  180.000   -0.18  0.00   0.00   0.00   
1 1 1 18 16 1  o 41.871  0.3899 49.549  171.200   -2.81  2.00   -0.22  1.10   
1 1 1 18 16 2  o 33.741  0.1857 33.199  50.700    1.70   -0.69  -1.37  3.90   
1 1 1 18 16 3  o 15.640  0.1511 26.705  64.600    1.10   0.50   -0.27  -0.27  
1 1 1 18 16 4  o 15.526  0.1039 26.535  -123.0000 -0.38  -0.01  -0.24  0.04   
1 1 1 18 16 5  o 76.330  0.9789 65.275  54.800    12.30  4.69   -3.15  -1.55  
1 1 1 18 16 6  o 21.705  0.2838 18.964  54.700    5.88   -0.72  -3.82  0.48   
1 1 1 18 16 7  o 22.133  0.7862 25.353  92.500    9.14   7.76   -0.21  -1.83  
1 1 1 18 16 8  o 10.794  0.2630 15.622  24.700    0.35   5.72   3.37   -0.18  
1 1 1 18 16 9  o 38.790  0.7265 37.695  -1.0000   5.94   4.96   -0.00  -1.47  
1 1 1 18 16 10 o 77.513  0.3487 74.748  -147.6000 -1.40  0.98   1.05   -0.49  
1 1 1 18 16 11 o 6.1593  0.1830 10.203  -112.3000 -0.84  0.94   -0.01  0.66   
1 1 1 18 16 12 o 25.230  0.3589 25.068  131.800   -1.68  2.76   0.39   0.53   
1 1 1 18 16 13 o 10.848  0.2419 4.0802  -36.5000  -0.63  0.80   0.02   0.15   
1 1 1 18 16 14 o 19.837  0.3149 24.402  40.900    2.50   0.86   -0.59  -0.28  
1 1 1 18 16 15 o 24.143  0.1749 26.992  -176.3000 -1.13  -1.81  2.69   -0.70  
1 1 1 18 16 16 o 13.051  0.1654 14.672  115.600   -0.68  0.61   -0.78  0.54   
1 1 1 18 16 17 o 6.8720  0.4659 7.2974  -101.5000 1.40   -1.97  0.07   0.33   
1 1 1 18 16 18 o 22.802  0.1910 24.235  -20.4000  2.07   0.52   0.08   -0.99  
1 1 1 18 16 19 o 12.596  0.1794 11.131  86.500    0.23   0.63   0.18   0.03   
1 1 1 18 16 20 o 5.0236  0.8278 2.9293  170.200   -1.81  0.29   -0.14  0.02   
1 1 1 18 16 21 o 7.1509  0.2944 6.4950  -159.0000 -0.13  -0.10  -0.01  -0.00  
1 1 1 18 16 22 o 14.245  0.3791 14.846  23.100    0.71   -0.62  0.05   0.05   
1 1 1 18 16 23 o 7.1422  0.3807 6.7156  -109.8000 0.20   -0.05  0.01   -0.02  
1 1 1 18 16 24 o 6.7582  0.3666 6.5847  149.800   -0.15  -0.88  0.06   0.18   
1 1 1 18 16 25 o 5.5113  0.6796 ?       ?         0.42   0.18   0.02   0.00   
1 1 1 18 16 26 o 5.1207  1.0256 ?       ?         0.31   0.06   0.00   0.00   
1 1 1 18 17 0  f 7.4162  0.3104 24.640  0.0000    0.03   0.00   0.00   0.00   
1 1 1 18 17 1  o 31.650  1.1044 24.553  -108.2000 -5.52  -21.94 5.06   -2.41  
1 1 1 18 17 2  o 11.136  0.1879 1.1332  68.200    3.02   -0.32  -1.71  0.28   
1 1 1 18 17 3  o 27.152  0.5261 33.025  78.300    2.58   8.02   1.49   -1.18  
1 1 1 18 17 4  o 3.9767  0.1973 4.8176  -26.3000  0.39   -0.69  0.08   0.12   
1 1 1 18 17 5  o 12.138  0.1591 2.1889  114.100   0.58   -0.25  -0.18  0.29   
1 1 1 18 17 6  o 6.5379  0.1189 12.648  16.000    0.18   -0.15  -2.26  1.26   
1 1 1 18 17 7  o 24.379  0.1547 25.379  153.900   -0.31  0.43   1.66   -0.21  
1 1 1 18 17 8  o 34.850  0.1915 35.832  158.900   -0.26  -0.32  -0.54  0.85   
1 1 1 18 17 9  o 47.375  0.2244 51.313  -92.6000  0.78   -0.18  0.06   -0.90  
1 1 1 18 17 10 o 23.821  0.2152 16.903  159.200   -1.08  0.57   -0.21  0.19   
1 1 1 18 17 11 o 19.493  0.1402 18.220  -30.7000  -0.10  -0.46  0.19   -0.31  
1 1 1 18 17 12 o 17.259  0.2602 15.318  -177.4000 -0.37  -1.36  0.27   -0.09  
1 1 1 18 17 13 f 19.420  0.1425 19.697  24.300    0.05   0.36   0.20   0.12   
1 1 1 18 17 14 o 5.7060  0.2302 6.4312  -134.7000 -0.94  0.27   -0.45  0.16   
1 1 1 18 17 15 o 14.905  0.1817 15.325  127.700   0.04   -0.28  0.01   0.01   
1 1 1 18 17 16 o 19.916  0.2754 18.494  -19.5000  1.27   -2.69  0.84   0.46   
1 1 1 18 17 17 f 10.847  0.1961 13.403  146.400   -0.16  -0.18  -0.04  0.26   
1 1 1 18 17 18 o 4.0971  0.4706 6.6512  58.900    1.97   -0.07  -0.40  0.12   
1 1 1 18 17 19 o 15.783  0.1779 13.784  150.500   -0.09  0.45   -0.02  -0.23  
1 1 1 18 17 20 o 5.4372  0.3502 4.8990  -10.3000  -0.13  -0.03  0.02   -0.02  
1 1 1 18 17 21 o 6.0892  0.3471 5.3918  -179.1000 -0.32  0.24   -0.10  -0.00  
1 1 1 18 17 22 o 1.5884  0.8417 1.0581  79.300    -0.16  -0.04  -0.02  0.01   
1 1 1 18 17 23 o 5.3423  0.4320 5.9640  111.000   0.13   0.24   0.02   0.04   
1 1 1 18 17 24 o 19.689  0.4176 18.221  -60.4000  1.61   -4.45  0.68   -0.63  
1 1 1 18 17 25 o 10.448  1.1026 ?       ?         -1.35  0.17   -0.02  -0.03  
1 1 1 18 17 26 o 8.6405  0.5883 ?       ?         -0.56  -0.66  -0.00  0.03   
1 1 1 18 18 0  o 10.257  0.4435 20.673  180.000   0.06   0.00   0.00   0.00   
1 1 1 18 18 1  o 70.100  0.6123 69.556  -90.0000  -0.00  -0.52  0.00   0.00   
1 1 1 18 18 2  o 33.305  0.2961 42.334  -0.1000   0.30   0.00   0.00   0.00   
1 1 1 18 18 3  o 22.636  0.1797 34.562  90.100    0.00   0.20   0.00   0.00   
1 1 1 18 18 4  o 56.721  0.3539 57.842  180.000   -0.20  0.00   0.00   0.00   
1 1 1 18 18 5  o 69.482  0.4241 62.084  90.000    0.00   0.33   0.00   0.00   
1 1 1 18 18 6  o 10.588  0.1811 10.935  -179.7000 -0.08  0.00   0.00   0.00   
1 1 1 18 18 7  o 45.917  0.3330 52.075  90.100    -0.00  -0.17  0.00   0.00   
1 1 1 18 18 8  o 22.285  0.1979 25.949  180.000   -0.12  0.00   0.00   0.00   
1 1 1 18 18 9  o 43.336  0.3184 42.072  90.000    0.00   0.23   0.00   0.00   
1 1 1 18 18 10 o 25.161  0.2226 27.381  -179.9000 0.01   0.00   0.00   0.00   
1 1 1 18 18 11 o 3.7014  0.4001 8.1804  90.700    0.00   0.00   0.00   0.00   
1 1 1 18 18 12 o 11.874  0.2474 20.877  0.0000    -0.06  0.00   0.00   0.00   
1 1 1 18 18 13 o 4.1593  0.4431 6.0458  90.200    -0.00  -0.00  0.00   0.00   
1 1 1 18 18 14 o 21.230  0.2053 19.034  -179.9000 -0.09  0.00   0.00   0.00   
1 1 1 18 18 15 o 32.936  0.2621 37.654  90.100    0.00   0.49   0.00   0.00   
1 1 1 18 18 16 o 5.6569  0.4110 1.6152  0.1000    0.04   0.00   0.00   0.00   
1 1 1 18 18 17 o 6.3325  0.4142 4.9411  90.000    -0.00  -0.09  0.00   0.00   
1 1 1 18 18 18 o 7.7136  0.3648 11.553  0.0000    0.10   0.00   0.00   0.00   
1 1 1 18 18 19 o 0.0000  2.4083 1.9393  90.000    -0.00  -0.01  0.00   0.00   
1 1 1 18 18 20 o 6.4885  0.4054 8.4559  0.0000    0.04   0.00   0.00   0.00   
1 1 1 18 18 21 o 9.5969  0.3564 10.231  90.000    -0.00  -0.09  0.00   0.00   
1 1 1 18 18 22 o 12.880  0.2922 13.467  180.000   0.26   0.00   0.00   0.00   
1 1 1 18 18 23 o 4.8785  0.7013 2.5265  90.000    -0.00  -0.28  0.00   0.00   
1 1 1 18 18 24 o 6.4265  0.5631 4.1152  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 18 18 25 o 7.0711  0.8915 ?       ?         0.00   0.30   0.00   0.00   
1 1 1 18 18 26 o 0.0000  4.0866 ?       ?         0.12   0.00   0.00   0.00   
1 1 1 19 0  1  o 35.993  0.2579 12.324  -135.1000 -0.09  -0.09  0.00   0.00   
1 1 1 19 0  2  o 5.1478  0.1963 7.8820  -179.8000 -0.01  0.00   0.00   0.00   
1 1 1 19 0  3  o 7.6616  0.1472 4.3945  135.400   0.00   -0.00  0.00   0.00   
1 1 1 19 0  4  o 34.556  0.2271 22.003  -90.1000  0.00   0.10   0.00   0.00   
1 1 1 19 0  5  o 103.871 0.6030 132.048 45.000    0.24   0.24   0.00   0.00   
1 1 1 19 0  6  o 38.515  0.2822 21.191  -0.1000   0.32   0.00   0.00   0.00   
1 1 1 19 0  7  o 12.166  0.1702 4.0814  135.100   -0.02  0.02   0.00   0.00   
1 1 1 19 0  8  o 32.343  0.2850 4.9046  90.400    0.00   0.11   0.00   0.00   
1 1 1 19 0  9  o 53.469  0.3917 65.203  -135.0000 0.09   0.09   0.00   0.00   
1 1 1 19 0  10 o 76.387  0.4619 62.057  -0.0000   -0.73  0.00   0.00   0.00   
1 1 1 19 0  11 o 50.660  0.3441 39.301  135.000   -0.06  0.06   0.00   0.00   
1 1 1 19 0  12 o 15.909  0.2140 11.946  -90.1000  -0.00  -0.10  0.00   0.00   
1 1 1 19 0  13 o 59.435  0.3812 52.617  45.000    -0.33  -0.33  0.00   0.00   
1 1 1 19 0  14 o 22.199  0.2075 19.280  -179.8000 0.00   0.00   0.00   0.00   
1 1 1 19 0  15 o 2.0976  0.6879 4.8280  134.500   -0.00  0.00   0.00   0.00   
1 1 1 19 0  16 o 39.920  0.3230 47.053  -90.0000  -0.00  -0.37  0.00   0.00   
1 1 1 19 0  17 o 28.226  0.2319 29.761  -135.0000 0.05   0.05   0.00   0.00   
1 1 1 19 0  18 o 24.015  0.2534 31.837  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 19 0  19 o 5.4037  0.4433 11.599  135.000   -0.01  0.01   0.00   0.00   
1 1 1 19 0  20 o 9.7826  0.3071 6.3732  90.000    0.00   0.10   0.00   0.00   
1 1 1 19 0  21 o 6.3166  0.4220 3.3735  -135.0000 -0.04  -0.04  0.00   0.00   
1 1 1 19 0  22 o 18.526  0.2922 17.112  180.000   0.20   0.00   0.00   0.00   
1 1 1 19 0  23 o 11.362  0.3125 9.9953  -45.0000  0.02   -0.02  0.00   0.00   
1 1 1 19 0  24 f 8.4083  0.4025 8.1481  90.000    0.00   0.11   0.00   0.00   
1 1 1 19 0  25 o 5.1284  0.8008 7.4209  -135.0000 -0.22  -0.22  0.00   0.00   
1 1 1 19 0  26 o 19.339  0.6015 ?       ?         -0.26  0.00   0.00   0.00   
1 1 1 19 1  0  o 67.382  0.3961 57.967  -0.0000   -0.24  0.00   0.00   0.00   
1 1 1 19 1  1  o 86.731  0.6250 92.264  -85.5000  4.21   -2.80  -1.28  1.62   
1 1 1 19 1  2  o 35.760  0.2730 46.835  -145.2000 -1.34  -0.43  -0.44  -0.23  
1 1 1 19 1  3  o 56.864  0.2505 64.311  -121.7000 -0.67  0.34   -0.56  0.23   
1 1 1 19 1  4  o 13.457  0.1015 14.232  -20.3000  0.22   -0.06  -0.51  0.16   
1 1 1 19 1  5  o 89.535  0.6143 86.571  -17.3000  5.57   -4.60  0.17   3.41   
1 1 1 19 1  6  o 92.105  0.3773 80.282  -112.6000 0.42   -1.23  0.12   0.31   
1 1 1 19 1  7  o 28.016  0.4899 32.518  -150.7000 -1.43  -0.60  -0.06  -0.06  
1 1 1 19 1  8  o 12.204  0.6828 4.2764  133.000   -0.76  15.07  3.63   0.43   
1 1 1 19 1  9  o 72.798  0.3191 75.996  152.900   0.15   1.91   0.44   -0.52  
1 1 1 19 1  10 o 40.289  0.4456 50.703  115.700   -4.54  3.01   -0.96  1.42   
1 1 1 19 1  11 o 12.833  0.5340 10.298  -118.5000 -6.47  -1.08  -1.57  -0.43  
1 1 1 19 1  12 o 6.9506  0.4900 12.669  84.200    -5.05  -1.73  -0.95  -0.79  
1 1 1 19 1  13 o 25.338  0.5928 21.900  -178.9000 -3.58  -1.43  -0.41  -0.30  
1 1 1 19 1  14 o 36.243  0.2454 31.825  -91.6000  -0.17  -1.33  0.35   0.11   
1 1 1 19 1  15 o 18.213  0.4029 20.053  92.100    1.23   1.55   0.02   -0.22  
1 1 1 19 1  16 o 16.227  0.5094 19.950  77.800    -0.51  6.51   1.40   0.39   
1 1 1 19 1  17 o 18.639  0.3613 18.227  -69.9000  0.30   -1.04  0.06   0.07   
1 1 1 19 1  18 o 19.486  0.1686 17.584  -69.2000  -0.54  -0.54  0.09   -0.12  
1 1 1 19 1  19 o 5.9638  0.3291 6.4540  -116.7000 -0.56  -1.23  0.27   -0.16  
1 1 1 19 1  20 o 17.177  0.3835 18.990  109.600   0.55   4.45   1.08   -0.95  
1 1 1 19 1  21 o 5.9330  0.3345 7.8701  99.400    -0.78  -0.31  -0.06  -0.32  
1 1 1 19 1  22 o 12.228  0.2163 11.556  74.300    -0.17  0.87   0.01   0.21   
1 1 1 19 1  23 o 16.935  0.4083 15.808  -114.4000 -0.44  -2.29  0.09   -0.37  
1 1 1 19 1  24 o 7.5454  0.3228 7.2399  -125.7000 -0.05  0.21   -0.01  0.02   
1 1 1 19 1  25 o 6.6373  0.5301 5.4423  -22.5000  0.18   -0.12  0.01   0.00   
1 1 1 19 1  26 o 4.2599  0.9005 ?       ?         -0.19  0.26   0.01   -0.02  
1 1 1 19 2  0  o 74.712  0.4411 38.806  180.000   -0.29  0.00   0.00   0.00   
1 1 1 19 2  1  f 53.816  0.6916 59.978  -72.0000  1.70   -4.14  0.59   0.72   
1 1 1 19 2  2  o 31.579  0.9640 22.466  -102.6000 -7.11  -7.42  0.01   -2.04  
1 1 1 19 2  3  o 46.923  1.0719 48.840  157.300   -9.88  -5.33  -1.16  -2.00  
1 1 1 19 2  4  o 38.545  1.1537 43.686  128.500   7.63   15.89  1.85   -2.18  
1 1 1 19 2  5  o 24.748  0.4575 17.287  12.800    7.11   5.45   -1.17  -3.79  
1 1 1 19 2  6  o 59.275  0.2767 37.490  41.800    -0.19  0.73   0.81   -0.22  
1 1 1 19 2  7  o 37.167  0.1736 49.745  -24.3000  1.12   0.45   -0.39  -0.70  
1 1 1 19 2  8  o 48.432  0.2304 51.007  -166.3000 -0.04  0.81   0.49   0.42   
1 1 1 19 2  9  o 27.921  0.7337 42.207  -67.0000  -8.62  -15.07 2.43   -4.73  
1 1 1 19 2  10 o 20.447  0.2360 18.986  71.400    1.22   -0.15  -0.26  0.02   
1 1 1 19 2  11 o 36.567  0.1964 37.945  -157.2000 -2.15  1.60   0.62   2.22   
1 1 1 19 2  12 o 17.796  0.1883 14.534  -148.8000 -0.45  -1.39  2.17   -0.38  
1 1 1 19 2  13 o 29.501  0.3194 31.170  -15.1000  2.43   1.51   -0.17  -0.96  
1 1 1 19 2  14 o 29.317  0.2994 30.043  20.500    3.55   -1.99  -0.45  2.05   
1 1 1 19 2  15 o 21.618  0.3401 20.888  -168.3000 -2.55  0.51   -0.49  0.12   
1 1 1 19 2  16 o 19.909  0.2681 21.773  -120.6000 -0.27  -0.05  -0.01  -0.00  
1 1 1 19 2  17 f 35.232  0.3481 32.908  90.000    3.02   3.35   -0.91  -1.64  
1 1 1 19 2  18 o 7.3667  0.5368 9.5934  86.000    -0.37  1.43   0.09   0.04   
1 1 1 19 2  19 o 15.841  0.1664 17.918  -36.7000  0.30   -0.49  -0.12  -0.53  
1 1 1 19 2  20 o 8.4466  0.2329 6.6406  -48.1000  0.44   -0.57  0.29   0.17   
1 1 1 19 2  21 o 19.263  0.1815 19.190  92.300    -0.19  0.52   -0.05  0.10   
1 1 1 19 2  22 o 21.856  0.1905 22.875  52.400    0.18   1.36   -0.30  -0.30  
1 1 1 19 2  23 o 12.112  0.2390 10.476  17.600    0.76   0.35   0.13   0.34   
1 1 1 19 2  24 f 12.883  0.2257 11.914  166.700   -0.43  0.87   -0.02  -0.29  
1 1 1 19 2  25 o 10.722  0.3484 13.054  59.000    -0.43  0.61   -0.06  -0.11  
1 1 1 19 2  26 f 12.049  0.4659 ?       ?         0.80   -1.30  0.02   -0.16  
1 1 1 19 3  0  o 7.9937  0.1474 33.082  0.0000    0.03   0.00   0.00   0.00   
1 1 1 19 3  1  o 98.617  1.6227 103.071 179.300   -11.32 -2.29  -1.56  -0.92  
1 1 1 19 3  2  o 121.439 0.8372 99.770  126.900   1.10   1.96   0.05   -0.30  
1 1 1 19 3  3  o 66.230  0.7551 56.064  -2.2000   4.87   2.72   -0.58  -1.33  
1 1 1 19 3  4  o 90.646  0.4103 88.916  74.100    -1.31  -0.14  -0.25  0.04   
1 1 1 19 3  5  o 64.268  0.2747 63.297  54.700    -0.12  1.35   1.63   1.87   
1 1 1 19 3  6  o 45.953  0.2826 48.414  -24.5000  0.18   -3.69  1.99   -0.12  
1 1 1 19 3  7  o 38.968  0.2130 39.372  -94.4000  2.57   -1.23  -4.22  2.47   
1 1 1 19 3  8  o 15.922  0.3280 26.163  9.5000    -1.58  5.64   1.99   1.11   
1 1 1 19 3  9  o 59.481  0.3348 44.083  -49.0000  1.90   0.43   -0.33  -0.40  
1 1 1 19 3  10 f 35.013  0.2518 36.169  51.600    -0.01  0.02   0.00   0.00   
1 1 1 19 3  11 o 35.781  0.1841 35.766  42.100    0.45   1.05   0.26   4.90   
1 1 1 19 3  12 o 38.825  0.1914 31.264  -14.7000  1.28   -0.36  -0.26  0.56   
1 1 1 19 3  13 o 19.149  0.1399 10.716  -1.6000   -0.15  -0.57  0.46   0.04   
1 1 1 19 3  14 o 16.762  0.2162 21.921  139.900   -0.42  2.42   1.33   0.14   
1 1 1 19 3  15 o 21.177  0.2991 17.108  -46.9000  -2.70  -5.41  2.85   -2.54  
1 1 1 19 3  16 o 8.7260  0.2210 6.0445  35.700    -0.01  0.97   0.22   -0.04  
1 1 1 19 3  17 o 22.382  0.2708 22.820  159.300   0.04   -1.53  0.31   -0.13  
1 1 1 19 3  18 o 17.208  0.5605 16.611  124.500   -4.31  7.72   0.77   1.97   
1 1 1 19 3  19 o 11.373  0.3209 12.162  -117.6000 -0.88  -2.41  0.36   -0.69  
1 1 1 19 3  20 f 15.848  0.1718 17.419  8.8000    0.20   1.67   0.75   0.72   
1 1 1 19 3  21 o 6.7687  0.2923 6.5005  -178.6000 -0.91  0.66   0.19   0.54   
1 1 1 19 3  22 o 7.1929  0.2812 7.5655  135.800   0.17   0.05   0.05   0.00   
1 1 1 19 3  23 o 5.8185  0.3775 6.8365  66.100    0.29   0.51   0.16   0.04   
1 1 1 19 3  24 o 8.6676  0.2881 9.2232  -71.8000  0.06   -0.51  -0.02  -0.10  
1 1 1 19 3  25 f 13.809  0.5898 11.623  95.200    -2.72  3.63   -0.44  0.61   
1 1 1 19 3  26 o 7.5398  0.6536 ?       ?         -0.20  0.26   -0.01  -0.00  
1 1 1 19 4  0  o 114.783 0.6579 105.902 0.0000    0.00   0.00   0.00   0.00   
1 1 1 19 4  1  o 88.558  0.6500 77.267  -64.6000  1.68   -2.46  0.07   0.67   
1 1 1 19 4  2  o 66.057  0.2928 70.387  -69.9000  -0.09  -0.25  -0.09  -0.21  
1 1 1 19 4  3  o 52.766  0.4228 42.519  -32.6000  3.16   1.47   -1.11  -0.95  
1 1 1 19 4  4  o 59.131  0.2557 53.525  -75.3000  0.45   0.01   -0.32  -0.38  
1 1 1 19 4  5  o 37.401  0.3082 36.190  164.800   -0.82  3.54   1.53   0.57   
1 1 1 19 4  6  o 55.671  0.3175 48.832  -128.1000 0.45   -0.40  -0.02  0.05   
1 1 1 19 4  7  o 21.570  0.6672 24.349  -66.1000  7.59   -2.38  -1.03  0.67   
1 1 1 19 4  8  o 19.455  0.6095 10.003  45.100    10.07  6.41   -1.32  -3.21  
1 1 1 19 4  9  o 17.583  0.7360 30.808  97.600    0.06   16.24  4.20   0.11   
1 1 1 19 4  10 o 32.223  0.1663 31.230  -81.9000  0.23   -1.05  0.94   -0.17  
1 1 1 19 4  11 o 16.250  0.1587 20.460  65.800    0.22   -0.12  -0.50  -0.17  
1 1 1 19 4  12 o 35.612  0.1874 35.989  132.100   0.29   2.53   1.50   -1.32  
1 1 1 19 4  13 o 15.363  0.1377 15.442  -110.2000 -0.04  -0.04  0.03   -0.01  
1 1 1 19 4  14 o 28.637  0.1867 17.093  -136.2000 -0.87  0.33   0.26   1.01   
1 1 1 19 4  15 o 9.7056  0.3348 5.3967  -104.8000 -1.22  -1.70  0.15   -0.35  
1 1 1 19 4  16 o 38.080  0.3977 37.966  19.600    5.73   -0.45  -1.76  1.06   
1 1 1 19 4  17 o 15.258  0.1579 18.148  42.000    -0.03  -0.01  -0.00  0.00   
1 1 1 19 4  18 o 3.9192  0.4141 3.3574  81.400    -0.23  0.11   -0.03  0.02   
1 1 1 19 4  19 o 5.7278  0.3279 6.0578  148.300   0.08   0.02   -0.01  0.02   
1 1 1 19 4  20 o 13.120  0.2962 13.105  150.600   -1.29  1.31   -0.18  0.37   
1 1 1 19 4  21 o 14.099  0.1927 16.243  -78.7000  -0.55  -0.24  0.03   -0.13  
1 1 1 19 4  22 o 14.186  0.4714 13.896  14.200    2.83   1.47   -0.03  -0.54  
1 1 1 19 4  23 o 8.5076  0.3406 9.1226  115.000   0.25   1.06   0.16   0.06   
1 1 1 19 4  24 o 13.493  0.4197 14.822  -37.6000  3.86   -0.81  -0.93  -0.64  
1 1 1 19 4  25 o 4.1291  0.6206 5.1036  133.400   0.21   0.08   -0.01  0.01   
1 1 1 19 4  26 o 2.7060  1.3812 ?       ?         -0.13  -0.20  0.00   0.01   
1 1 1 19 5  0  o 30.307  0.2682 32.756  -0.1000   0.16   0.00   0.00   0.00   
1 1 1 19 5  1  o 19.462  0.1198 8.6608  -138.6000 -0.21  -0.08  -0.05  -1.10  
1 1 1 19 5  2  o 71.728  0.2947 52.855  149.600   0.19   0.10   -0.09  0.01   
1 1 1 19 5  3  o 46.961  0.3780 39.261  -170.6000 -3.51  -1.48  -1.10  -0.88  
1 1 1 19 5  4  f 80.140  0.8335 83.946  -137.7000 -6.26  1.69   -1.22  0.49   
1 1 1 19 5  5  o 24.058  0.1305 33.301  139.500   0.82   0.13   -1.22  -0.77  
1 1 1 19 5  6  o 55.255  0.3239 41.232  91.600    -1.67  0.88   -0.33  0.32   
1 1 1 19 5  7  o 42.896  0.7510 42.054  110.800   7.43   11.96  1.36   -3.29  
1 1 1 19 5  8  o 18.761  0.2451 13.111  44.100    -1.39  1.67   0.20   0.67   
1 1 1 19 5  9  o 35.115  0.2781 35.205  -1.0000   3.21   -1.82  -0.52  1.74   
1 1 1 19 5  10 o 48.099  0.5257 48.906  -178.8000 -5.45  7.40   1.83   3.12   
1 1 1 19 5  11 o 34.321  0.1893 37.438  -78.4000  0.16   -0.29  0.21   -0.26  
1 1 1 19 5  12 o 9.6464  0.7050 15.010  143.600   -1.52  11.28  2.50   0.60   
1 1 1 19 5  13 o 16.992  0.3147 11.800  164.800   -1.60  0.23   -0.27  0.13   
1 1 1 19 5  14 o 13.626  0.1454 20.392  91.800    0.07   0.43   0.53   0.23   
1 1 1 19 5  15 o 21.631  0.3530 20.298  -69.3000  -0.70  -2.85  0.51   -0.42  
1 1 1 19 5  16 o 15.218  0.3090 15.211  -94.8000  -0.81  -0.93  -0.01  -0.14  
1 1 1 19 5  17 o 12.230  0.1662 11.772  -98.7000  0.02   0.36   0.12   -0.19  
1 1 1 19 5  18 o 4.0693  0.3725 2.8565  63.000    -0.43  0.38   -0.12  0.20   
1 1 1 19 5  19 o 6.7941  0.3184 4.8002  21.300    0.58   -1.85  0.37   0.49   
1 1 1 19 5  20 f 8.3996  0.8670 6.2430  135.600   -1.53  7.32   0.88   0.53   
1 1 1 19 5  21 o 10.451  0.2533 12.593  40.100    0.05   0.83   0.12   0.10   
1 1 1 19 5  22 o 9.6737  0.3161 9.7968  6.9000    0.05   -0.60  0.03   0.04   
1 1 1 19 5  23 o 10.714  0.2455 10.807  -76.1000  0.48   -0.42  -0.08  -0.23  
1 1 1 19 5  24 o 10.282  0.2586 11.090  41.100    0.44   -0.69  0.09   -0.24  
1 1 1 19 5  25 o 13.783  0.3371 14.494  -72.2000  -0.51  0.60   0.05   -0.03  
1 1 1 19 5  26 o 7.6919  1.2643 ?       ?         1.31   0.95   0.05   -0.05  
1 1 1 19 6  0  o 65.189  0.3873 64.762  -0.0000   0.10   0.00   0.00   0.00   
1 1 1 19 6  1  o 78.273  0.5741 100.067 -32.1000  3.17   2.20   -0.15  -1.29  
1 1 1 19 6  2  o 33.710  0.7771 7.5675  -132.0000 0.44   -2.07  0.12   0.05   
1 1 1 19 6  3  o 64.334  0.2861 66.327  -159.5000 -1.10  0.67   -0.23  0.25   
1 1 1 19 6  4  o 45.083  1.3333 42.023  -160.7000 -22.20 5.38   -3.67  2.05   
1 1 1 19 6  5  o 39.985  0.1942 30.856  -32.7000  0.78   0.78   0.08   -0.42  
1 1 1 19 6  6  f 55.554  0.3034 61.087  -83.4000  -0.86  -1.46  0.30   -0.34  
1 1 1 19 6  7  o 23.838  0.3456 25.704  -124.8000 1.38   -2.98  0.45   0.61   
1 1 1 19 6  8  o 36.581  0.3610 26.007  -150.2000 -4.71  2.69   -0.86  2.37   
1 1 1 19 6  9  o 56.478  1.0697 54.224  51.200    5.77   11.68  1.04   -1.86  
1 1 1 19 6  10 o 37.701  0.2333 33.408  138.700   -1.54  -1.20  -0.42  -0.60  
1 1 1 19 6  11 o 19.018  0.1418 22.901  79.200    1.22   0.02   -0.84  0.28   
1 1 1 19 6  12 o 19.514  0.4490 6.1153  -120.0000 -9.26  4.80   -3.49  4.02   
1 1 1 19 6  13 f 19.174  0.1353 13.555  -17.9000  -0.02  -0.08  -0.07  -0.07  
1 1 1 19 6  14 o 6.8596  0.2159 5.4452  170.800   0.07   -0.13  0.03   0.02   
1 1 1 19 6  15 o 9.5426  0.1735 5.3979  -144.9000 0.03   -0.05  0.02   0.00   
1 1 1 19 6  16 o 10.597  0.1734 10.820  109.100   0.02   0.08   -0.08  -0.06  
1 1 1 19 6  17 o 32.727  0.1877 27.577  -57.4000  0.09   -0.36  0.04   -0.04  
1 1 1 19 6  18 o 9.2504  0.3911 7.4384  31.000    1.34   -0.19  -0.11  0.05   
1 1 1 19 6  19 o 23.501  0.2171 23.283  -70.5000  0.39   0.74   -0.06  -0.12  
1 1 1 19 6  20 o 8.9568  0.2401 9.1174  -165.5000 -1.09  -0.80  0.17   -0.55  
1 1 1 19 6  21 o 10.328  0.2232 10.491  -136.6000 -0.46  -0.06  -0.03  0.19   
1 1 1 19 6  22 o 13.549  0.1961 13.433  -168.0000 0.12   -0.23  -0.01  0.01   
1 1 1 19 6  23 o 4.7524  0.4204 5.4340  -107.9000 -0.79  -0.06  -0.11  0.09   
1 1 1 19 6  24 o 7.8176  0.3381 7.7470  157.200   0.02   0.09   0.00   0.00   
1 1 1 19 6  25 o 7.7646  0.7377 8.5863  105.500   0.56   0.32   0.01   -0.02  
1 1 1 19 6  26 f 0.9473  1.2896 ?       ?         0.14   0.22   0.00   0.02   
1 1 1 19 7  0  o 7.4498  0.1383 1.2218  -180.0000 0.01   0.00   0.00   0.00   
1 1 1 19 7  1  o 26.334  0.4141 31.709  84.300    2.14   -1.68  -0.13  0.73   
1 1 1 19 7  2  o 79.046  0.4283 68.242  103.000   3.32   1.05   -1.27  -0.46  
1 1 1 19 7  3  o 15.802  0.5821 26.597  -56.5000  6.53   -7.60  0.47   2.74   
1 1 1 19 7  4  o 32.288  0.1827 40.187  -136.5000 0.06   0.14   -1.24  0.93   
1 1 1 19 7  5  o 24.151  0.1569 28.863  -91.0000  -1.12  -0.03  -4.16  1.36   
1 1 1 19 7  6  o 22.861  0.1405 30.277  -64.4000  0.15   -0.08  -1.03  -0.11  
1 1 1 19 7  7  o 40.561  0.2722 49.539  29.200    1.38   0.12   -0.28  0.01   
1 1 1 19 7  8  o 60.617  0.2669 62.643  25.700    -0.25  -0.42  0.06   -0.03  
1 1 1 19 7  9  o 21.690  0.2407 18.623  162.100   0.79   5.59   4.04   -1.81  
1 1 1 19 7  10 o 44.252  0.4171 33.103  -46.4000  2.13   -0.45  -0.30  0.05   
1 1 1 19 7  11 o 20.218  0.1585 17.601  -166.5000 -0.11  0.96   0.95   -0.31  
1 1 1 19 7  12 o 9.4262  0.1524 10.253  -152.7000 -0.27  -0.11  -0.55  -0.13  
1 1 1 19 7  13 o 19.471  0.1814 16.164  -26.8000  1.35   -1.75  0.51   1.01   
1 1 1 19 7  14 o 38.573  0.3656 51.913  6.0000    3.05   -1.31  -0.36  0.96   
1 1 1 19 7  15 o 50.461  0.3913 44.928  166.100   2.71   3.26   1.22   -1.05  
1 1 1 19 7  16 o 25.590  0.2470 23.092  -52.2000  1.82   0.15   -0.41  0.08   
1 1 1 19 7  17 o 15.070  0.1685 11.668  167.000   0.28   0.32   0.65   0.60   
1 1 1 19 7  18 o 7.9961  0.5576 4.4637  41.100    2.82   -0.65  -0.29  0.10   
1 1 1 19 7  19 f 9.3896  0.2528 9.5661  -171.1000 -1.32  0.26   -0.24  0.26   
1 1 1 19 7  20 o 15.401  0.1755 15.507  120.200   0.22   0.06   0.00   -0.03  
1 1 1 19 7  21 o 13.623  0.2026 9.6960  11.400    -0.23  0.11   0.05   -0.04  
1 1 1 19 7  22 o 7.6131  0.2965 4.9782  66.900    0.08   0.43   -0.08  -0.15  
1 1 1 19 7  23 f 3.5337  0.5277 3.2453  -128.2000 -0.40  0.11   -0.03  -0.00  
1 1 1 19 7  24 o 3.9443  0.6544 3.3708  1.6000    -0.17  0.32   -0.00  0.02   
1 1 1 19 7  25 f 10.442  0.5855 9.1598  -44.4000  1.38   -1.45  -0.17  0.13   
1 1 1 19 7  26 o 4.5937  1.4135 ?       ?         -0.08  0.32   0.01   -0.01  
1 1 1 19 8  0  o 96.051  0.5543 119.698 180.000   -0.10  0.00   0.00   0.00   
1 1 1 19 8  1  o 36.282  0.3992 19.814  -167.2000 -1.73  4.69   1.46   1.07   
1 1 1 19 8  2  o 47.345  0.2712 49.318  -82.4000  2.51   -1.66  -0.87  1.38   
1 1 1 19 8  3  o 63.934  0.6751 70.963  -179.2000 -5.42  0.56   -1.08  0.36   
1 1 1 19 8  4  o 18.677  0.2658 7.8975  106.300   -7.54  1.99   -8.02  4.04   
1 1 1 19 8  5  f 17.162  0.7050 17.526  -77.1000  3.55   -23.36 8.66   2.54   
1 1 1 19 8  6  o 26.237  0.2607 33.774  40.100    -0.16  4.98   2.71   0.41   
1 1 1 19 8  7  o 38.430  0.1811 58.282  -46.5000  -0.62  -0.22  -0.12  -1.40  
1 1 1 19 8  8  o 37.465  0.5904 32.353  175.100   -5.39  -2.11  -0.94  -0.67  
1 1 1 19 8  9  o 40.036  0.2014 43.134  -0.1000   -0.08  0.91   0.59   -0.39  
1 1 1 19 8  10 o 16.980  0.3965 21.198  -114.3000 -2.69  -1.12  -0.27  -0.31  
1 1 1 19 8  11 o 21.202  0.5858 23.799  -48.9000  2.45   -4.47  0.51   0.65   
1 1 1 19 8  12 o 40.826  0.1933 38.787  30.500    0.22   0.26   0.14   0.23   
1 1 1 19 8  13 o 34.912  0.2937 36.676  -125.1000 -0.63  -5.00  2.78   0.11   
1 1 1 19 8  14 o 18.086  0.3598 8.9246  62.800    -0.19  3.17   0.83   -0.04  
1 1 1 19 8  15 o 40.294  0.1947 39.116  139.400   -0.78  -0.34  0.07   -0.26  
1 1 1 19 8  16 o 16.694  0.1570 19.280  93.700    -0.01  0.01   -0.00  0.00   
1 1 1 19 8  17 o 22.884  0.3950 21.871  79.000    -0.29  5.72   1.76   0.77   
1 1 1 19 8  18 o 31.233  0.1983 29.742  115.200   0.57   -0.69  0.25   -0.34  
1 1 1 19 8  19 f 10.483  0.2222 9.1485  4.9000    0.09   -0.38  0.02   0.03   
1 1 1 19 8  20 o 11.865  0.1968 10.572  -28.8000  -0.22  -0.30  0.06   -0.03  
1 1 1 19 8  21 o 20.917  0.2095 23.178  -50.0000  -0.63  -1.70  -0.29  -0.52  
1 1 1 19 8  22 o 17.975  0.1932 18.713  35.200    1.00   0.28   0.30   0.33   
1 1 1 19 8  23 o 6.2686  0.6067 5.3673  96.900    -0.00  -1.28  0.09   0.05   
1 1 1 19 8  24 o 10.497  0.2937 9.6042  155.000   -0.56  1.17   -0.13  -0.48  
1 1 1 19 8  25 o 7.3657  0.5754 6.8333  178.100   -0.13  0.01   -0.00  0.00   
1 1 1 19 8  26 o 9.2893  1.0313 ?       ?         -0.49  0.07   -0.00  0.00   
1 1 1 19 9  0  o 68.972  0.4186 66.399  180.000   -0.43  0.00   0.00   0.00   
1 1 1 19 9  1  o 27.354  0.2700 46.251  -172.1000 -3.50  0.22   -1.71  0.35   
1 1 1 19 9  2  o 65.662  0.2738 59.447  -160.6000 0.02   0.17   0.02   -0.03  
1 1 1 19 9  3  o 154.095 1.0274 154.525 116.100   -6.90  1.45   -2.34  -0.31  
1 1 1 19 9  4  o 25.053  0.4059 22.690  120.600   6.30   5.69   -0.21  -4.26  
1 1 1 19 9  5  o 47.778  0.5349 30.347  -69.7000  10.41  -2.27  -4.43  1.56   
1 1 1 19 9  6  o 47.794  0.2863 38.942  -35.8000  2.65   2.85   0.66   -2.07  
1 1 1 19 9  7  o 26.768  0.1730 28.532  -50.0000  1.33   -0.18  -2.41  -0.16  
1 1 1 19 9  8  o 34.628  0.9158 29.115  176.400   -14.21 3.60   -2.52  1.16   
1 1 1 19 9  9  o 33.207  0.5070 37.942  35.400    8.97   1.17   -3.62  -0.41  
1 1 1 19 9  10 o 15.857  0.1584 23.270  -83.9000  -2.05  -0.08  -1.22  -0.29  
1 1 1 19 9  11 o 14.001  0.3755 18.842  -56.3000  2.40   -0.78  -0.43  0.25   
1 1 1 19 9  12 o 30.114  0.2003 30.029  -136.5000 1.32   -1.96  1.31   1.08   
1 1 1 19 9  13 o 6.3240  0.3498 5.6438  35.300    3.67   1.40   -1.00  -0.98  
1 1 1 19 9  14 o 22.697  0.4132 21.913  -99.7000  0.94   0.00   -0.05  -0.01  
1 1 1 19 9  15 o 21.384  0.1654 23.454  -8.9000   1.07   -0.21  -0.27  0.30   
1 1 1 19 9  16 o 15.325  0.1762 13.098  79.000    1.20   -1.22  -1.18  1.89   
1 1 1 19 9  17 o 24.788  0.1585 25.765  -98.0000  0.74   -0.10  -0.16  -0.10  
1 1 1 19 9  18 o 4.4705  0.3384 4.3924  -160.9000 0.03   -0.05  -0.03  -0.01  
1 1 1 19 9  19 o 8.8670  0.2317 7.6818  -78.0000  0.13   -0.26  -0.12  0.11   
1 1 1 19 9  20 o 13.963  0.4034 11.449  72.900    -0.21  1.14   0.08   0.00   
1 1 1 19 9  21 f 8.1631  0.2600 10.310  -0.1000   0.74   0.80   -0.68  -0.35  
1 1 1 19 9  22 f 10.125  0.3866 9.2940  -120.2000 -1.02  0.11   -0.07  -0.02  
1 1 1 19 9  23 o 8.5466  0.2982 6.7211  -81.5000  0.72   -0.24  0.05   0.15   
1 1 1 19 9  24 o 5.1263  0.9075 5.1410  133.100   -0.01  1.02   0.05   -0.03  
1 1 1 19 9  25 o 9.1058  0.3660 ?       ?         -0.10  -0.45  -0.06  0.00   
1 1 1 19 9  26 o 6.1910  0.8939 ?       ?         -0.29  0.75   0.02   -0.03  
1 1 1 19 10 0  o 10.982  0.1527 14.710  -179.9000 0.01   0.00   0.00   0.00   
1 1 1 19 10 1  o 22.723  0.2102 37.003  178.100   -0.96  -1.56  0.40   -0.67  
1 1 1 19 10 2  o 38.474  0.1927 32.288  145.100   0.91   0.59   -0.09  -1.79  
1 1 1 19 10 3  o 56.516  0.9500 49.342  -173.4000 -5.22  1.46   -0.40  0.28   
1 1 1 19 10 4  o 69.270  0.5800 56.641  -87.0000  -0.19  -3.32  0.56   0.03   
1 1 1 19 10 5  o 32.116  0.1638 27.412  -91.6000  0.89   -0.39  -0.19  0.28   
1 1 1 19 10 6  o 45.377  0.2965 40.432  170.900   -2.27  2.10   0.12   1.12   
1 1 1 19 10 7  o 29.580  0.2558 35.585  -168.8000 -2.58  2.37   -0.47  1.72   
1 1 1 19 10 8  o 40.386  1.4519 33.362  141.000   -35.65 10.80  -5.85  3.43   
1 1 1 19 10 9  o 27.740  0.1858 28.108  -48.0000  0.51   -0.46  -3.43  -0.84  
1 1 1 19 10 10 o 12.380  0.2636 17.485  120.400   -2.56  -1.05  -0.69  -0.87  
1 1 1 19 10 11 o 8.4563  0.2849 12.588  94.200    -2.68  0.02   -0.92  0.08   
1 1 1 19 10 12 o 39.308  0.2033 26.493  -120.5000 -0.95  -0.23  -0.59  0.46   
1 1 1 19 10 13 o 28.421  0.1666 33.361  -175.6000 -0.45  0.76   0.35   0.22   
1 1 1 19 10 14 o 27.533  0.3914 27.982  97.800    -0.40  2.68   0.37   0.20   
1 1 1 19 10 15 o 33.744  0.1863 32.862  -80.9000  -0.47  -0.54  0.33   -0.11  
1 1 1 19 10 16 o 13.591  0.2826 12.316  121.800   -2.51  1.28   -0.35  0.72   
1 1 1 19 10 17 o 23.757  0.3510 24.189  -18.6000  3.25   -2.34  0.03   1.14   
1 1 1 19 10 18 f 6.1330  0.2606 9.6104  -120.4000 -0.08  -0.17  0.00   -0.01  
1 1 1 19 10 19 o 10.365  0.2011 8.4425  -5.6000   0.06   0.37   0.08   0.06   
1 1 1 19 10 20 o 19.118  0.1664 20.749  -8.7000   0.90   -0.03  0.04   0.50   
1 1 1 19 10 21 o 7.2910  0.2956 7.6861  9.3000    0.01   -0.38  0.03   0.11   
1 1 1 19 10 22 o 7.9687  0.2934 7.4097  34.000    0.70   0.97   -0.09  -0.22  
1 1 1 19 10 23 o 8.1327  0.4567 7.0310  147.400   1.08   0.08   -0.08  0.03   
1 1 1 19 10 24 o 13.092  0.2812 13.500  115.700   -0.06  1.08   -0.25  0.02   
1 1 1 19 10 25 o 10.222  0.3560 ?       ?         0.78   0.02   0.08   -0.01  
1 1 1 19 10 26 o 6.0997  0.6875 ?       ?         1.04   0.14   0.08   -0.03  
1 1 1 19 11 0  o 8.7579  0.1735 6.2898  -0.2000   0.00   0.00   0.00   0.00   
1 1 1 19 11 1  o 85.798  0.3868 89.557  111.300   0.45   0.59   -1.70  0.72   
1 1 1 19 11 2  o 30.529  1.0573 36.714  149.800   -22.17 4.21   -4.63  1.95   
1 1 1 19 11 3  o 92.224  0.3718 82.587  -13.3000  2.82   1.39   -0.09  -2.45  
1 1 1 19 11 4  o 58.333  0.2529 73.860  143.400   -0.15  -0.09  0.30   0.10   
1 1 1 19 11 5  f 26.329  0.1499 43.487  -68.7000  0.06   -1.61  1.85   -0.30  
1 1 1 19 11 6  o 14.418  0.1547 7.0102  -129.7000 0.14   -0.01  -0.06  0.02   
1 1 1 19 11 7  o 23.765  0.4009 29.340  -132.2000 -5.30  -3.20  -1.26  -1.92  
1 1 1 19 11 8  o 34.814  0.3636 26.782  21.400    3.03   0.78   -0.55  -0.45  
1 1 1 19 11 9  f 33.069  0.1757 38.725  87.800    -0.18  0.28   0.23   0.02   
1 1 1 19 11 10 o 31.959  0.3136 31.054  120.200   -1.71  -0.05  -0.32  -0.12  
1 1 1 19 11 11 o 44.218  0.2130 40.989  -34.3000  0.29   -0.09  -0.04  -0.01  
1 1 1 19 11 12 o 36.871  0.4051 35.107  54.500    -1.40  4.77   1.21   1.47   
1 1 1 19 11 13 f 35.599  0.5400 30.874  -175.4000 -4.80  -0.60  -0.94  -0.01  
1 1 1 19 11 14 o 31.876  0.1883 35.000  79.000    -0.32  -0.22  -0.22  0.43   
1 1 1 19 11 15 o 29.157  0.5971 24.595  46.800    13.13  4.78   -4.44  -2.45  
1 1 1 19 11 16 o 19.359  0.1456 19.646  -156.0000 0.44   0.05   -0.06  -0.06  
1 1 1 19 11 17 o 24.633  0.1971 22.489  124.500   -1.65  0.03   -0.47  -0.35  
1 1 1 19 11 18 o 30.499  0.1870 31.084  59.900    0.71   1.07   -0.87  0.42   
1 1 1 19 11 19 o 7.2485  0.2521 6.2500  66.200    -0.44  -0.24  -0.49  0.16   
1 1 1 19 11 20 o 6.9467  0.2907 3.7893  169.400   -0.84  1.48   0.67   0.42   
1 1 1 19 11 21 o 13.983  0.5740 13.078  -5.4000   3.14   -2.38  -0.31  0.40   
1 1 1 19 11 22 o 18.035  0.2342 18.327  0.7000    0.97   -1.42  0.36   0.03   
1 1 1 19 11 23 o 2.7840  0.6285 2.9362  29.300    -0.06  0.15   -0.01  0.01   
1 1 1 19 11 24 o 10.408  0.3911 9.6802  -16.2000  0.83   1.21   -0.15  -0.14  
1 1 1 19 11 25 o 8.2365  0.4198 ?       ?         0.68   1.19   -0.03  0.27   
1 1 1 19 11 26 o 6.8916  0.7483 ?       ?         -0.56  -0.37  0.01   0.02   
1 1 1 19 12 0  o 40.045  0.3122 37.634  -180.0000 0.05   0.00   0.00   0.00   
1 1 1 19 12 1  o 38.966  0.4779 49.100  110.600   5.11   3.47   -0.88  -1.76  
1 1 1 19 12 2  o 67.126  0.2809 59.176  -158.2000 0.20   -0.46  0.09   0.03   
1 1 1 19 12 3  o 94.350  0.3848 96.346  82.800    -2.87  1.01   -1.57  0.21   
1 1 1 19 12 4  o 31.953  0.4206 38.709  -21.8000  1.49   -0.58  -0.09  0.10   
1 1 1 19 12 5  o 83.538  0.3468 81.986  -174.4000 1.74   -2.68  -0.25  1.59   
1 1 1 19 12 6  o 20.424  0.1194 13.198  162.900   -0.04  -0.08  0.11   0.24   
1 1 1 19 12 7  o 52.194  0.4361 49.968  140.900   -3.13  0.34   -0.66  0.37   
1 1 1 19 12 8  o 22.369  0.1364 22.781  62.900    -0.11  0.22   0.57   -0.82  
1 1 1 19 12 9  o 46.049  1.0989 37.853  -65.8000  7.14   -19.79 3.52   2.33   
1 1 1 19 12 10 o 24.812  0.3162 25.173  99.900    1.50   1.46   0.08   -0.46  
1 1 1 19 12 11 f 22.054  0.4817 12.937  137.900   -5.68  3.74   -0.55  1.81   
1 1 1 19 12 12 o 10.396  0.2775 19.609  -14.4000  3.90   -0.43  -1.49  0.22   
1 1 1 19 12 13 o 13.695  0.6717 6.3794  30.000    6.63   6.65   0.20   -2.42  
1 1 1 19 12 14 o 16.930  0.1467 18.280  -108.5000 -0.75  -0.17  -0.24  -0.26  
1 1 1 19 12 15 o 12.839  0.1559 11.692  -35.2000  0.61   0.59   -0.42  -0.65  
1 1 1 19 12 16 o 9.1631  0.1961 7.2494  -10.5000  0.30   0.62   0.06   -0.40  
1 1 1 19 12 17 o 14.634  0.1702 15.687  -172.3000 -0.46  -0.49  0.50   -0.20  
1 1 1 19 12 18 f 18.673  0.1681 15.367  163.600   -0.02  0.61   0.06   -0.09  
1 1 1 19 12 19 o 4.2252  0.7991 6.7275  -4.6000   1.06   -1.46  0.08   0.15   
1 1 1 19 12 20 o 16.921  0.1795 20.118  74.900    0.35   1.13   0.27   1.01   
1 1 1 19 12 21 o 3.4176  0.7599 2.6661  109.300   0.88   0.54   -0.08  -0.08  
1 1 1 19 12 22 o 10.311  0.2303 11.646  -18.0000  0.49   -0.53  0.31   -0.06  
1 1 1 19 12 23 o 3.4613  1.2257 1.5142  -101.3000 0.43   -0.80  0.08   0.05   
1 1 1 19 12 24 o 16.020  0.2531 16.963  -14.9000  2.46   -0.40  0.06   -0.66  
1 1 1 19 12 25 o 6.8971  0.7858 ?       ?         0.23   0.02   0.00   -0.00  
1 1 1 19 12 26 o 7.9849  0.5860 ?       ?         -0.41  0.09   0.01   0.01   
1 1 1 19 13 0  o 16.352  0.1635 38.015  0.0000    0.04   0.00   0.00   0.00   
1 1 1 19 13 1  o 20.158  0.2475 23.899  -46.2000  0.94   -3.60  1.62   1.05   
1 1 1 19 13 2  o 34.059  0.7736 28.475  -21.4000  1.36   -12.49 2.46   0.45   
1 1 1 19 13 3  o 46.842  0.2523 38.133  -81.9000  2.92   0.28   -1.44  -0.57  
1 1 1 19 13 4  o 40.491  0.6181 30.946  -177.7000 -7.73  0.05   -1.40  -0.08  
1 1 1 19 13 5  f 77.682  0.3265 74.529  32.700    -0.92  2.16   -0.07  2.08   
1 1 1 19 13 6  o 40.642  0.4722 57.738  34.000    1.50   5.02   1.04   -0.97  
1 1 1 19 13 7  o 25.388  0.2196 24.784  116.100   -0.46  0.53   -0.00  0.08   
1 1 1 19 13 8  o 45.044  0.6603 47.244  -5.5000   4.44   1.10   -0.47  -0.36  
1 1 1 19 13 9  o 32.773  0.2454 20.590  77.500    -0.15  0.28   0.00   0.02   
1 1 1 19 13 10 o 31.198  0.1941 30.566  -140.1000 0.67   -0.43  -0.14  0.11   
1 1 1 19 13 11 f 30.081  0.3099 34.117  62.300    -1.69  1.38   -0.28  0.50   
1 1 1 19 13 12 o 39.318  0.2064 37.612  -159.3000 -0.65  0.42   0.92   0.46   
1 1 1 19 13 13 o 28.837  0.3942 28.245  162.600   -0.58  3.90   1.21   0.01   
1 1 1 19 13 14 o 35.084  0.1987 33.541  71.200    0.58   -0.82  0.86   -0.19  
1 1 1 19 13 15 o 20.164  0.1486 21.488  -119.2000 0.67   -0.60  -0.79  0.51   
1 1 1 19 13 16 o 8.5428  0.2051 7.6415  55.600    0.35   0.24   -0.04  -0.05  
1 1 1 19 13 17 o 14.068  0.3944 14.851  -24.8000  4.46   -4.11  -0.52  1.74   
1 1 1 19 13 18 o 14.446  0.1961 16.682  -168.1000 -1.38  -0.25  -0.22  -0.45  
1 1 1 19 13 19 o 9.9470  0.2130 9.4598  145.800   -0.20  0.35   0.11   -0.40  
1 1 1 19 13 20 o 4.6981  0.5612 5.5143  101.100   -0.50  -1.31  0.09   -0.13  
1 1 1 19 13 21 o 13.320  0.3849 13.496  127.200   -1.49  4.18   0.41   1.41   
1 1 1 19 13 22 o 4.4823  0.4173 3.5359  -54.6000  0.22   0.03   -0.00  -0.03  
1 1 1 19 13 23 o 10.118  0.2460 10.731  -64.8000  0.65   -0.40  -0.14  -0.09  
1 1 1 19 13 24 o 14.555  0.2499 15.215  -25.6000  1.35   -1.40  0.43   -0.43  
1 1 1 19 13 25 o 7.5793  0.8348 ?       ?         0.02   0.39   0.00   0.01   
1 1 1 19 13 26 o 13.866  0.5204 ?       ?         0.56   0.44   0.01   0.01   
1 1 1 19 14 0  o 10.459  0.2246 4.7534  0.3000    0.02   0.00   0.00   0.00   
1 1 1 19 14 1  o 41.687  0.3225 31.785  -117.9000 0.72   -3.94  1.66   0.92   
1 1 1 19 14 2  o 47.212  0.3466 49.381  -11.5000  0.85   -1.04  0.07   0.18   
1 1 1 19 14 3  o 48.539  0.2522 52.285  130.300   -1.65  -2.51  0.89   -1.16  
1 1 1 19 14 4  o 43.846  0.5810 53.780  -86.6000  -14.70 -4.97  -5.77  -3.65  
1 1 1 19 14 5  o 46.139  0.2160 38.704  16.000    0.04   0.78   0.31   0.22   
1 1 1 19 14 6  o 17.462  0.1164 11.418  -41.1000  0.47   -0.03  -0.25  -0.04  
1 1 1 19 14 7  o 9.2949  0.3091 8.4808  68.300    0.39   2.37   0.44   -0.17  
1 1 1 19 14 8  o 44.227  0.7102 46.995  -39.3000  0.75   -8.27  1.38   0.48   
1 1 1 19 14 9  o 34.735  0.2124 35.450  114.000   0.02   0.81   0.14   -0.09  
1 1 1 19 14 10 o 29.378  0.1910 31.991  -15.1000  -0.36  -0.55  0.10   -0.09  
1 1 1 19 14 11 o 15.533  0.5078 16.903  148.600   0.19   3.87   0.63   -0.00  
1 1 1 19 14 12 o 17.710  0.3772 14.924  86.000    -2.85  4.73   0.60   1.43   
1 1 1 19 14 13 o 6.7247  0.2125 6.7295  70.700    -1.71  -1.16  -1.02  -1.70  
1 1 1 19 14 14 o 42.934  0.6054 47.722  134.100   1.49   1.58   0.06   -0.14  
1 1 1 19 14 15 o 26.447  0.1612 24.053  -152.5000 -1.07  0.60   0.11   0.59   
1 1 1 19 14 16 o 14.601  0.1973 13.127  130.900   0.08   -0.47  0.06   -0.00  
1 1 1 19 14 17 o 5.9837  0.2767 2.1632  -105.5000 -0.37  -0.06  -0.10  -0.15  
1 1 1 19 14 18 o 15.586  0.6017 16.712  140.400   -6.51  1.49   -1.33  0.23   
1 1 1 19 14 19 o 8.9305  0.6060 7.7381  72.300    -1.79  1.83   -0.04  0.22   
1 1 1 19 14 20 o 3.3989  0.4988 3.8207  -117.7000 -0.15  -0.22  0.07   -0.02  
1 1 1 19 14 21 o 17.513  0.1813 17.413  173.800   -0.08  -0.60  -0.14  0.07   
1 1 1 19 14 22 o 5.4907  0.3577 7.2444  165.700   -0.58  0.61   0.11   0.10   
1 1 1 19 14 23 o 6.6583  0.4016 9.0751  -168.8000 0.19   -0.23  0.01   0.00   
1 1 1 19 14 24 o 6.6180  0.7871 7.7932  17.200    0.33   0.69   0.02   -0.01  
1 1 1 19 14 25 o 11.732  0.4136 ?       ?         -1.04  -0.78  -0.03  0.13   
1 1 1 19 14 26 o 9.1404  0.5855 ?       ?         1.75   -0.17  0.06   -0.08  
1 1 1 19 15 0  o 87.541  0.5748 82.004  180.000   -0.22  0.00   0.00   0.00   
1 1 1 19 15 1  o 64.072  0.4166 64.611  -34.6000  -2.47  -2.60  -0.38  -1.25  
1 1 1 19 15 2  f 72.362  0.3518 75.166  -47.3000  0.08   0.42   -0.23  -0.21  
1 1 1 19 15 3  f 15.637  0.3086 33.616  -53.8000  0.56   -8.14  4.20   0.42   
1 1 1 19 15 4  o 45.416  0.7284 32.332  -22.6000  8.94   -14.32 2.70   4.59   
1 1 1 19 15 5  o 34.071  0.1738 29.653  -49.7000  0.44   0.17   -0.03  -0.31  
1 1 1 19 15 6  o 74.191  0.3212 75.512  -105.4000 0.18   -0.28  -0.10  -0.09  
1 1 1 19 15 7  o 24.660  0.1706 21.882  37.600    0.00   1.43   0.98   -0.37  
1 1 1 19 15 8  o 21.143  0.4102 25.908  165.200   -2.95  2.95   0.08   0.82   
1 1 1 19 15 9  o 36.048  0.1910 36.516  123.200   -0.94  -1.04  0.96   -0.72  
1 1 1 19 15 10 o 18.613  0.1384 21.848  102.200   -0.10  0.28   -1.41  0.24   
1 1 1 19 15 11 o 17.557  0.1386 18.401  111.700   -0.32  -0.21  0.01   -0.12  
1 1 1 19 15 12 o 28.349  0.1727 21.670  -4.8000   -0.76  0.99   2.71   0.87   
1 1 1 19 15 13 o 24.614  0.1545 19.792  44.100    -0.00  0.40   0.05   0.49   
1 1 1 19 15 14 o 36.480  0.2125 36.392  -75.9000  -0.06  -0.74  -0.12  -0.48  
1 1 1 19 15 15 o 8.0804  0.4162 7.8941  -160.8000 -2.40  0.35   -0.29  0.11   
1 1 1 19 15 16 o 18.578  0.2194 18.463  122.200   -2.49  1.59   -1.20  0.96   
1 1 1 19 15 17 o 9.7633  0.2231 9.6815  21.700    0.96   0.67   0.01   -0.29  
1 1 1 19 15 18 o 12.230  0.2528 13.155  92.300    0.19   0.16   -0.01  -0.01  
1 1 1 19 15 19 o 16.089  0.1639 14.396  -121.1000 -0.05  -0.50  0.03   -0.10  
1 1 1 19 15 20 o 14.318  0.3656 13.874  27.100    0.22   1.59   0.22   0.09   
1 1 1 19 15 21 o 22.011  0.1745 23.563  168.200   -1.26  0.35   0.37   -0.29  
1 1 1 19 15 22 o 15.219  0.2023 15.997  -169.8000 -1.42  -0.59  0.45   -0.24  
1 1 1 19 15 23 o 11.098  0.2917 10.759  11.000    0.19   -0.23  -0.02  -0.01  
1 1 1 19 15 24 f 6.3536  0.3930 7.7616  55.500    0.59   -0.69  0.14   0.02   
1 1 1 19 15 25 o 5.8908  0.6670 ?       ?         -0.23  -0.04  0.00   0.00   
1 1 1 19 15 26 o 9.5092  0.6536 ?       ?         0.25   0.81   -0.01  0.01   
1 1 1 19 16 0  o 54.108  0.4600 57.073  -0.1000   0.22   0.00   0.00   0.00   
1 1 1 19 16 1  o 49.759  0.8513 49.446  -11.4000  15.78  2.66   -4.02  -1.83  
1 1 1 19 16 2  o 24.420  0.6826 22.681  108.700   1.08   14.58  3.44   -0.64  
1 1 1 19 16 3  o 6.1675  0.2035 3.4339  42.000    0.74   -0.83  0.02   0.18   
1 1 1 19 16 4  o 42.737  0.2175 48.286  -66.2000  0.07   0.76   0.23   -0.93  
1 1 1 19 16 5  o 21.327  0.3766 20.272  79.500    -5.04  5.45   -0.02  3.28   
1 1 1 19 16 6  o 49.184  0.4785 47.273  16.000    3.36   10.28  5.51   -2.17  
1 1 1 19 16 7  o 19.927  0.1509 19.018  -72.7000  -1.75  -0.75  -0.71  -1.35  
1 1 1 19 16 8  o 20.952  0.2844 18.554  36.300    4.79   -1.08  -2.55  0.76   
1 1 1 19 16 9  o 48.668  0.4724 44.708  122.100   -2.64  -1.10  -0.20  -0.46  
1 1 1 19 16 10 o 24.242  0.2605 23.190  54.100    -2.19  0.26   -0.68  0.00   
1 1 1 19 16 11 o 18.449  0.3289 22.415  3.9000    3.94   5.31   1.09   -2.55  
1 1 1 19 16 12 o 6.3076  0.2121 7.3241  174.800   0.07   0.15   0.66   0.45   
1 1 1 19 16 13 o 13.437  0.2673 11.792  -148.8000 1.44   -4.17  1.49   1.53   
1 1 1 19 16 14 o 9.6454  0.1974 9.1353  138.400   -0.82  1.10   0.19   0.37   
1 1 1 19 16 15 o 23.072  0.3760 24.131  -11.3000  3.92   -4.64  0.72   1.74   
1 1 1 19 16 16 o 26.275  0.1768 27.736  150.100   -1.10  -0.26  0.90   -0.90  
1 1 1 19 16 17 o 17.558  0.2194 14.308  -7.1000   3.11   -2.04  0.56   2.44   
1 1 1 19 16 18 f 8.7704  0.2364 10.355  -18.1000  0.65   -0.52  0.03   0.14   
1 1 1 19 16 19 o 15.478  0.3549 17.027  -108.0000 1.09   -3.63  0.53   0.85   
1 1 1 19 16 20 o 4.8188  0.5568 4.3915  87.000    -0.35  0.23   -0.01  0.01   
1 1 1 19 16 21 o 9.4735  0.2502 9.5577  -14.2000  2.43   0.92   0.08   -1.36  
1 1 1 19 16 22 o 11.901  0.2164 14.418  -165.2000 -0.95  0.44   0.45   -0.32  
1 1 1 19 16 23 o 4.1059  0.5391 4.3396  -50.4000  -0.39  -0.02  0.00   0.06   
1 1 1 19 16 24 o 7.6915  0.4295 9.2344  -88.7000  -0.04  -0.38  -0.02  0.02   
1 1 1 19 16 25 o 11.721  0.4826 ?       ?         -0.38  0.29   -0.00  -0.01  
1 1 1 19 16 26 f 13.086  0.9481 ?       ?         -1.94  1.15   -0.05  -0.03  
1 1 1 19 17 0  o 19.705  0.2604 34.851  -0.1000   -0.03  0.00   0.00   0.00   
1 1 1 19 17 1  f 45.471  0.7341 28.162  -27.8000  6.37   -5.62  -0.70  2.46   
1 1 1 19 17 2  o 36.393  0.1851 31.531  76.800    3.39   1.46   -3.70  -2.31  
1 1 1 19 17 3  o 59.415  1.0029 60.212  74.700    16.37  9.42   -3.10  -3.85  
1 1 1 19 17 4  o 31.242  0.3708 31.301  86.900    0.64   3.42   0.72   -0.41  
1 1 1 19 17 5  o 32.551  0.4854 29.278  -75.7000  7.50   -4.00  -1.76  2.01   
1 1 1 19 17 6  o 40.376  0.3693 32.395  127.900   0.73   2.95   0.70   -0.17  
1 1 1 19 17 7  o 41.426  0.2007 43.212  124.500   0.24   1.73   0.64   -3.31  
1 1 1 19 17 8  o 24.226  0.7121 27.387  82.200    -3.81  7.39   0.73   1.27   
1 1 1 19 17 9  o 23.993  0.5627 27.052  -102.1000 -1.15  -3.33  0.31   -0.20  
1 1 1 19 17 10 o 21.987  0.1744 24.101  11.600    1.09   -0.73  -0.39  0.41   
1 1 1 19 17 11 o 15.696  0.5540 17.681  -23.1000  8.63   6.83   -0.56  -3.49  
1 1 1 19 17 12 o 10.389  0.1423 16.145  54.000    -0.39  0.07   -0.14  0.00   
1 1 1 19 17 13 o 2.2874  1.0389 1.3047  -141.3000 -0.46  1.35   0.21   0.18   
1 1 1 19 17 14 o 19.001  0.2601 24.127  103.000   2.08   0.25   -0.49  0.01   
1 1 1 19 17 15 o 7.4402  0.4975 7.8530  -47.0000  -1.30  -2.52  0.20   -0.37  
1 1 1 19 17 16 f 18.269  0.3190 18.349  32.400    3.09   0.10   -0.76  -0.31  
1 1 1 19 17 17 o 28.383  0.1847 28.864  -0.7000   1.58   0.02   0.02   0.91   
1 1 1 19 17 18 o 12.174  0.1881 13.657  169.200   -0.03  0.00   0.00   -0.00  
1 1 1 19 17 19 o 17.846  0.2214 16.399  -8.2000   0.33   0.49   0.05   -0.02  
1 1 1 19 17 20 o 15.367  0.1711 17.564  -95.6000  -0.51  -0.51  -0.24  0.19   
1 1 1 19 17 21 o 13.870  0.2087 14.491  127.300   -0.64  0.53   0.29   -0.22  
1 1 1 19 17 22 o 6.7222  0.3323 8.8993  33.400    0.28   0.17   0.04   0.08   
1 1 1 19 17 23 o 7.0211  0.6225 5.3479  49.300    0.54   2.19   0.30   0.09   
1 1 1 19 17 24 o 4.5750  0.6083 4.4213  -64.1000  -0.35  0.24   -0.03  -0.03  
1 1 1 19 17 25 o 1.6691  1.4326 ?       ?         -0.13  -0.14  -0.01  0.00   
1 1 1 19 17 26 o 5.3812  0.7557 ?       ?         0.24   0.41   -0.01  -0.00  
1 1 1 19 18 0  o 21.986  0.3382 30.474  0.1000    0.01   0.00   0.00   0.00   
1 1 1 19 18 1  o 54.727  0.6915 50.915  18.000    2.19   4.61   1.03   -0.64  
1 1 1 19 18 2  o 24.056  0.2511 27.742  -17.5000  2.94   1.96   -0.43  -1.86  
1 1 1 19 18 3  o 61.531  0.7883 66.086  -68.0000  2.29   -5.97  0.59   0.85   
1 1 1 19 18 4  o 7.3262  0.3074 7.8943  143.700   -5.74  0.30   -2.28  0.16   
1 1 1 19 18 5  o 12.799  0.2263 13.947  87.600    1.11   1.95   0.29   -0.59  
1 1 1 19 18 6  o 48.287  0.4822 54.551  138.700   -1.18  5.89   1.69   0.21   
1 1 1 19 18 7  o 28.650  0.1831 27.943  -178.1000 1.03   1.55   1.43   -1.17  
1 1 1 19 18 8  o 38.640  0.5166 45.731  -101.9000 -0.98  2.58   0.19   0.29   
1 1 1 19 18 9  f 29.548  0.5821 24.690  136.200   -1.91  -0.58  -0.08  -0.07  
1 1 1 19 18 10 o 12.300  0.2928 17.083  -24.1000  0.73   -2.77  0.89   0.36   
1 1 1 19 18 11 o 25.853  0.1480 18.514  -94.6000  -0.14  0.20   -0.23  0.12   
1 1 1 19 18 12 o 8.9749  0.1600 7.2209  -42.0000  0.00   -0.01  -0.00  -0.00  
1 1 1 19 18 13 f 19.441  0.1614 21.586  -69.0000  -0.22  -0.88  0.26   -0.02  
1 1 1 19 18 14 o 12.144  0.1576 15.339  -36.8000  0.81   -0.41  -0.27  0.18   
1 1 1 19 18 15 o 17.661  0.1607 16.476  75.400    0.53   0.38   -0.11  -0.08  
1 1 1 19 18 16 f 16.044  0.3957 12.889  -73.2000  4.04   -1.10  -0.81  0.24   
1 1 1 19 18 17 o 8.8573  0.2095 5.7693  30.000    0.19   -0.11  -0.04  -0.15  
1 1 1 19 18 18 o 15.541  0.2302 17.276  -99.3000  2.02   -1.69  -0.88  0.70   
1 1 1 19 18 19 o 11.345  0.2162 10.795  41.100    0.02   -0.10  -0.01  -0.01  
1 1 1 19 18 20 o 10.604  0.3844 11.331  -80.9000  -1.05  -1.15  -0.08  -0.17  
1 1 1 19 18 21 o 6.4930  0.3760 7.8309  -38.0000  1.63   1.01   0.07   -0.45  
1 1 1 19 18 22 o 14.007  0.1967 13.937  18.600    0.21   0.49   0.02   0.06   
1 1 1 19 18 23 o 6.3402  0.4162 7.0791  110.000   0.00   -0.17  -0.01  0.01   
1 1 1 19 18 24 o 10.271  0.5031 ?       ?         -1.66  1.90   -0.33  0.07   
1 1 1 19 18 25 f 6.5564  0.5946 ?       ?         0.11   0.31   -0.01  0.00   
1 1 1 19 18 26 o 4.4658  0.9483 ?       ?         0.03   -0.03  -0.00  -0.00  
1 1 1 19 19 0  o 33.982  0.4530 22.111  0.1000    0.19   0.00   0.00   0.00   
1 1 1 19 19 1  o 51.396  0.5467 49.361  -90.0000  0.00   0.33   0.00   0.00   
1 1 1 19 19 2  o 27.512  0.2378 24.240  -180.0000 -0.11  0.00   0.00   0.00   
1 1 1 19 19 3  o 41.394  0.2795 40.894  -90.0000  -0.00  -0.00  0.00   0.00   
1 1 1 19 19 4  o 37.173  0.2764 26.639  179.900   -0.54  0.00   0.00   0.00   
1 1 1 19 19 5  o 12.744  0.1474 3.1976  -89.7000  -0.00  -0.09  0.00   0.00   
1 1 1 19 19 6  o 16.087  0.1995 8.7337  180.000   0.05   0.00   0.00   0.00   
1 1 1 19 19 7  o 33.864  0.2535 33.159  -90.0000  -0.00  -0.39  0.00   0.00   
1 1 1 19 19 8  o 29.343  0.2601 31.300  0.1000    0.09   0.00   0.00   0.00   
1 1 1 19 19 9  o 39.684  0.2827 33.149  -89.9000  -0.00  -0.19  0.00   0.00   
1 1 1 19 19 10 o 29.029  0.2595 32.303  0.0000    0.08   0.00   0.00   0.00   
1 1 1 19 19 11 o 20.035  0.1879 23.013  90.000    0.00   0.21   0.00   0.00   
1 1 1 19 19 12 o 10.208  0.2299 13.661  0.2000    0.13   0.00   0.00   0.00   
1 1 1 19 19 13 o 19.517  0.1978 8.4523  89.700    0.00   0.14   0.00   0.00   
1 1 1 19 19 14 o 5.8992  0.3363 4.3371  0.1000    -0.00  0.00   0.00   0.00   
1 1 1 19 19 15 o 40.384  0.2913 43.548  -90.0000  -0.00  -0.37  0.00   0.00   
1 1 1 19 19 16 o 12.606  0.2489 13.642  179.900   -0.01  0.00   0.00   0.00   
1 1 1 19 19 17 o 24.466  0.2308 26.418  90.000    0.00   0.96   0.00   0.00   
1 1 1 19 19 18 o 2.8810  0.7283 0.6858  -180.0000 0.03   0.00   0.00   0.00   
1 1 1 19 19 19 o 10.597  0.3293 11.605  -90.0000  -0.00  -0.50  0.00   0.00   
1 1 1 19 19 20 o 8.5088  0.3928 7.3642  -180.0000 -0.38  0.00   0.00   0.00   
1 1 1 19 19 21 o 1.7889  0.9773 2.3378  -90.0000  -0.00  -0.06  0.00   0.00   
1 1 1 19 19 22 o 7.4162  0.4684 6.5447  -0.0000   0.04   0.00   0.00   0.00   
1 1 1 19 19 23 o 3.3912  0.8590 2.0895  90.000    0.00   0.02   0.00   0.00   
1 1 1 19 19 24 o 1.7029  1.3442 ?       ?         0.02   0.00   0.00   0.00   
1 1 1 19 19 25 o 10.644  0.5994 ?       ?         0.00   0.01   0.00   0.00   
1 1 1 19 19 26 o 12.454  0.8230 ?       ?         -0.33  0.00   0.00   0.00   
1 1 1 20 0  0  o 84.496  0.6879 61.200  -0.0000   0.15   0.00   0.00   0.00   
1 1 1 20 0  1  o 56.762  0.3380 70.247  135.000   0.11   -0.11  0.00   0.00   
1 1 1 20 0  2  o 3.0000  0.2738 7.7740  -90.1000  0.00   0.00   0.00   0.00   
1 1 1 20 0  3  o 44.649  0.3235 34.098  -134.9000 0.02   0.02   0.00   0.00   
1 1 1 20 0  4  o 76.927  0.4530 73.466  -0.0000   0.11   0.00   0.00   0.00   
1 1 1 20 0  5  o 14.195  0.2151 10.652  -45.0000  0.02   -0.02  0.00   0.00   
1 1 1 20 0  6  o 20.035  0.2319 37.016  -90.0000  0.00   0.03   0.00   0.00   
1 1 1 20 0  7  o 10.959  0.1707 22.396  -134.8000 0.02   0.02   0.00   0.00   
1 1 1 20 0  8  o 31.466  0.2303 27.689  180.000   -0.15  0.00   0.00   0.00   
1 1 1 20 0  9  o 17.053  0.2085 12.181  135.000   0.05   -0.05  0.00   0.00   
1 1 1 20 0  10 o 6.8191  0.2338 10.485  90.000    -0.00  -0.07  0.00   0.00   
1 1 1 20 0  11 o 6.7305  0.2643 0.6856  -128.6000 0.00   0.00   0.00   0.00   
1 1 1 20 0  12 o 6.3875  0.3201 0.0672  30.800    -0.03  0.00   0.00   0.00   
1 1 1 20 0  13 o 29.548  0.2700 26.123  -45.0000  -0.11  0.11   0.00   0.00   
1 1 1 20 0  14 o 21.895  0.2036 33.555  90.000    -0.00  -0.02  0.00   0.00   
1 1 1 20 0  15 o 44.268  0.3051 39.107  -134.9000 -0.32  -0.32  0.00   0.00   
1 1 1 20 0  16 o 18.615  0.2360 14.026  179.900   0.05   0.00   0.00   0.00   
1 1 1 20 0  17 o 12.284  0.2512 9.7316  134.900   -0.01  0.01   0.00   0.00   
1 1 1 20 0  18 o 17.630  0.2406 16.989  90.000    0.00   0.39   0.00   0.00   
1 1 1 20 0  19 o 5.8822  0.4195 5.6512  45.000    0.02   0.02   0.00   0.00   
1 1 1 20 0  20 o 6.8264  0.3941 3.7207  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 20 0  21 o 5.4314  0.5035 5.1619  -45.0000  0.04   -0.04  0.00   0.00   
1 1 1 20 0  22 o 25.524  0.2502 29.140  -90.0000  -0.00  -0.76  0.00   0.00   
1 1 1 20 0  23 o 8.1425  0.4420 9.3088  -135.0000 0.00   0.00   0.00   0.00   
1 1 1 20 0  24 o 12.872  0.3257 13.571  0.0000    0.42   0.00   0.00   0.00   
1 1 1 20 0  25 o 16.037  0.4043 16.256  -45.0000  0.47   -0.47  0.00   0.00   
1 1 1 20 0  26 f 7.0922  1.2829 ?       ?         -0.00  -0.07  0.00   0.00   
1 1 1 20 1  0  o 44.974  0.2982 34.400  0.1000    -0.14  0.00   0.00   0.00   
1 1 1 20 1  1  o 37.182  0.9484 49.175  -15.9000  8.80   3.86   -1.20  -1.42  
1 1 1 20 1  2  o 63.591  0.8384 63.561  136.300   -7.77  -0.01  -2.10  0.24   
1 1 1 20 1  3  o 75.324  0.5578 64.274  -130.9000 0.96   -4.01  0.89   0.70   
1 1 1 20 1  4  o 21.993  0.2554 12.763  11.900    0.32   1.70   0.41   -0.19  
1 1 1 20 1  5  o 14.983  0.1006 11.670  166.700   0.71   0.39   -2.78  -2.51  
1 1 1 20 1  6  o 32.251  0.1834 44.286  -145.0000 0.45   -0.04  -0.16  -0.01  
1 1 1 20 1  7  o 61.557  1.2046 64.842  57.000    -4.52  11.10  0.92   1.06   
1 1 1 20 1  8  o 11.188  0.4172 18.594  -27.5000  4.03   8.21   2.74   -3.27  
1 1 1 20 1  9  f 39.413  0.3925 29.701  105.900   -2.39  1.64   -0.09  0.57   
1 1 1 20 1  10 o 44.078  0.2180 56.929  -129.7000 -0.09  0.18   0.05   -0.08  
1 1 1 20 1  11 o 29.099  0.6734 27.385  -111.7000 3.67   -5.74  0.64   1.04   
1 1 1 20 1  12 o 39.079  0.2118 41.196  118.100   0.04   2.21   1.02   -0.60  
1 1 1 20 1  13 o 22.720  0.4569 18.006  -140.0000 0.69   -3.20  0.45   0.28   
1 1 1 20 1  14 o 15.881  0.2948 18.063  -136.2000 -0.49  -2.09  0.44   -0.32  
1 1 1 20 1  15 o 15.985  0.1464 18.668  -57.0000  -0.25  -0.22  -0.60  -0.02  
1 1 1 20 1  16 o 34.645  0.1991 31.836  75.800    1.87   0.86   -1.50  0.04   
1 1 1 20 1  17 o 19.604  0.1828 16.445  -0.6000   1.33   -1.24  0.52   0.87   
1 1 1 20 1  18 o 38.070  0.2016 40.482  116.900   0.17   1.11   -0.40  -0.37  
1 1 1 20 1  19 o 7.8638  0.2403 5.3296  165.000   0.04   0.06   0.00   -0.00  
1 1 1 20 1  20 o 23.119  0.3209 21.828  -110.7000 -0.17  -1.46  0.12   -0.16  
1 1 1 20 1  21 o 10.312  0.2232 7.6197  -70.4000  0.31   0.11   0.09   0.13   
1 1 1 20 1  22 o 5.9011  0.3840 6.6136  -71.7000  -0.11  0.33   0.01   0.02   
1 1 1 20 1  23 o 12.949  0.3437 13.409  -119.8000 0.54   -1.35  -0.01  0.19   
1 1 1 20 1  24 o 7.5622  0.3115 8.5282  160.600   -0.06  -0.75  0.06   0.12   
1 1 1 20 1  25 o 14.689  0.3052 15.632  -109.5000 -0.31  -1.10  -0.18  -0.00  
1 1 1 20 1  26 o 10.972  0.5939 ?       ?         0.88   -0.62  0.02   -0.03  
1 1 1 20 2  0  o 13.594  0.1993 4.1832  179.800   0.06   0.00   0.00   0.00   
1 1 1 20 2  1  o 26.800  0.1350 47.161  -119.8000 -1.69  0.32   -2.40  1.63   
1 1 1 20 2  2  o 23.488  0.1330 24.993  -83.4000  0.16   -0.21  -6.64  -0.03  
1 1 1 20 2  3  o 29.539  0.1623 11.081  101.800   -0.04  0.01   0.09   0.07   
1 1 1 20 2  4  o 67.158  0.3875 52.869  -135.8000 -4.04  1.30   -1.42  1.56   
1 1 1 20 2  5  o 16.569  0.1633 13.084  168.500   -1.03  -0.21  -0.67  -0.38  
1 1 1 20 2  6  o 45.148  0.2037 30.011  21.700    0.03   0.10   0.04   0.16   
1 1 1 20 2  7  o 46.720  0.9986 48.509  -8.2000   22.89  7.10   -5.33  -3.22  
1 1 1 20 2  8  o 4.8713  0.2156 2.9087  149.900   2.46   0.06   -1.37  -0.01  
1 1 1 20 2  9  o 56.803  0.5068 48.464  175.200   -2.70  0.83   -0.27  0.34   
1 1 1 20 2  10 o 22.281  0.1869 29.911  153.100   -1.51  -1.44  0.60   -2.03  
1 1 1 20 2  11 o 14.744  0.3515 27.066  -100.8000 0.24   0.22   0.00   -0.01  
1 1 1 20 2  12 o 28.618  0.1821 36.830  -85.2000  -0.08  0.05   -0.03  -0.01  
1 1 1 20 2  13 o 36.130  0.2942 44.722  -25.9000  0.05   -0.97  0.10   -0.02  
1 1 1 20 2  14 o 20.261  0.6874 23.470  -41.2000  5.35   -2.58  -0.55  0.57   
1 1 1 20 2  15 o 39.891  0.3941 37.447  -124.1000 -2.98  -1.88  -0.75  -0.60  
1 1 1 20 2  16 o 30.386  0.3704 23.595  -156.4000 -3.76  -1.31  -0.93  -0.34  
1 1 1 20 2  17 o 19.287  0.3953 17.186  -13.1000  2.91   -0.36  -0.51  0.30   
1 1 1 20 2  18 o 14.224  0.1800 13.484  10.300    0.47   -1.35  0.50   0.11   
1 1 1 20 2  19 o 11.445  0.1950 9.6090  -21.5000  0.14   0.30   0.12   0.12   
1 1 1 20 2  20 o 5.3814  0.4337 3.7218  133.000   0.04   0.77   0.07   -0.03  
1 1 1 20 2  21 o 6.0498  0.3336 6.3006  -146.1000 0.10   -0.17  -0.07  -0.09  
1 1 1 20 2  22 o 8.0302  0.5016 7.7588  46.400    -1.08  0.96   -0.08  0.13   
1 1 1 20 2  23 o 15.682  0.2162 16.788  -17.3000  0.80   0.96   -0.29  -0.03  
1 1 1 20 2  24 o 14.632  0.2755 13.419  41.900    -0.38  1.62   -0.14  0.31   
1 1 1 20 2  25 o 14.558  0.8049 14.553  163.100   -3.84  -0.46  -0.29  0.20   
1 1 1 20 2  26 o 9.4257  0.5834 ?       ?         -0.44  0.15   0.01   0.00   
1 1 1 20 3  0  o 32.421  0.2099 68.944  180.000   0.04   0.00   0.00   0.00   
1 1 1 20 3  1  o 16.396  0.3452 21.103  16.400    3.07   4.86   2.09   -3.91  
1 1 1 20 3  2  o 57.251  0.9841 37.012  121.200   -9.48  7.79   -0.31  2.32   
1 1 1 20 3  3  o 31.981  0.4756 16.223  104.500   -2.88  2.30   -0.18  0.62   
1 1 1 20 3  4  o 14.381  0.1325 21.021  8.2000    0.32   0.19   -0.83  -0.81  
1 1 1 20 3  5  o 64.678  0.6016 50.352  -124.6000 -0.27  -3.11  0.42   -0.01  
1 1 1 20 3  6  o 34.313  0.6329 23.201  74.100    4.44   12.19  3.41   -2.61  
1 1 1 20 3  7  o 8.7077  0.1159 31.638  106.700   -0.27  0.19   -0.04  0.08   
1 1 1 20 3  8  o 10.910  0.2335 22.427  35.100    1.57   -1.22  -0.11  0.60   
1 1 1 20 3  9  o 15.903  0.5927 16.123  -64.8000  -2.52  -10.84 2.51   -1.11  
1 1 1 20 3  10 o 29.242  0.2180 25.471  166.500   -0.10  -1.59  0.48   0.07   
1 1 1 20 3  11 f 15.497  0.1275 7.5730  -91.9000  -0.15  -0.07  -0.01  -0.04  
1 1 1 20 3  12 o 31.968  0.1910 26.298  159.000   -0.02  -0.08  -0.01  0.03   
1 1 1 20 3  13 o 32.206  0.3569 28.580  -142.9000 -4.33  2.86   -1.31  1.76   
1 1 1 20 3  14 o 3.8271  0.3138 4.6541  -117.6000 -0.08  0.02   -0.07  -0.00  
1 1 1 20 3  15 o 45.618  0.2233 41.403  33.000    0.91   0.37   0.78   0.80   
1 1 1 20 3  16 o 18.258  0.5039 16.260  63.900    2.11   -0.24  -0.13  0.01   
1 1 1 20 3  17 o 28.550  0.3013 30.223  -132.8000 -2.67  -1.12  -1.00  -0.23  
1 1 1 20 3  18 o 14.533  0.1931 13.686  -20.1000  1.25   1.50   0.55   -0.71  
1 1 1 20 3  19 o 10.787  0.2975 13.192  160.800   -0.20  0.92   0.12   0.00   
1 1 1 20 3  20 f 12.180  0.2021 8.4808  -152.3000 -0.04  0.07   -0.00  0.00   
1 1 1 20 3  21 o 23.798  0.2807 23.109  2.4000    3.02   1.09   0.44   -1.14  
1 1 1 20 3  22 o 2.9880  0.5541 3.7671  -67.9000  -0.16  0.24   0.04   0.02   
1 1 1 20 3  23 o 11.522  0.2158 11.247  -65.5000  0.66   -1.85  -1.45  0.82   
1 1 1 20 3  24 o 14.967  0.2150 14.728  99.300    -1.25  1.12   -0.42  -0.19  
1 1 1 20 3  25 o 10.686  0.3255 11.296  91.400    0.11   0.82   -0.16  -0.03  
1 1 1 20 3  26 o 2.6833  2.2063 ?       ?         -0.14  -0.48  0.00   0.00   
1 1 1 20 4  0  o 20.623  0.1922 0.5429  -1.0000   -0.07  0.00   0.00   0.00   
1 1 1 20 4  1  o 92.516  0.3725 82.969  147.000   -1.41  -0.55  0.14   -1.68  
1 1 1 20 4  2  o 41.034  0.6951 27.768  18.300    2.49   4.58   0.40   -0.55  
1 1 1 20 4  3  o 52.098  0.2274 31.147  -133.1000 -0.48  0.43   0.01   0.11   
1 1 1 20 4  4  o 90.276  0.3665 49.820  -155.5000 -0.59  -1.16  0.31   -0.17  
1 1 1 20 4  5  o 24.551  0.1295 26.849  -75.9000  0.85   -0.27  -1.00  0.42   
1 1 1 20 4  6  o 36.563  0.2127 42.938  -152.4000 -0.30  0.59   0.07   0.07   
1 1 1 20 4  7  o 38.973  0.2799 59.845  177.000   -2.41  5.03   3.26   2.85   
1 1 1 20 4  8  o 52.083  0.9511 47.169  61.200    -1.07  16.64  4.12   1.06   
1 1 1 20 4  9  o 19.581  0.1591 18.749  95.000    0.61   -0.44  -0.94  0.81   
1 1 1 20 4  10 o 11.093  0.1287 21.263  25.300    0.01   0.01   -0.01  0.01   
1 1 1 20 4  11 o 31.671  0.1983 22.264  78.800    0.02   -0.07  0.01   -0.01  
1 1 1 20 4  12 o 42.810  0.6166 49.284  127.100   0.11   6.69   1.38   0.23   
1 1 1 20 4  13 o 56.556  0.2558 53.890  83.500    1.34   0.19   -0.44  0.35   
1 1 1 20 4  14 o 15.958  0.1370 12.902  75.800    -0.08  -0.03  0.05   -0.04  
1 1 1 20 4  15 o 35.183  0.4315 35.024  14.500    0.80   2.57   0.43   -0.12  
1 1 1 20 4  16 o 33.214  0.9151 29.324  58.100    -6.07  22.00  4.93   2.06   
1 1 1 20 4  17 o 19.085  0.4353 13.687  131.300   -0.42  2.01   0.17   0.13   
1 1 1 20 4  18 o 12.715  0.3532 11.881  45.800    0.72   -0.41  -0.01  0.04   
1 1 1 20 4  19 o 8.6953  0.2227 6.3126  -149.2000 -0.12  0.06   0.07   -0.01  
1 1 1 20 4  20 o 15.992  0.3284 18.109  -64.6000  -0.57  -3.22  0.63   -0.65  
1 1 1 20 4  21 o 9.2304  0.2529 7.8475  -25.7000  -0.37  -0.55  -0.49  -0.04  
1 1 1 20 4  22 o 4.8374  0.3995 6.0986  26.800    0.07   0.14   0.02   0.03   
1 1 1 20 4  23 o 15.067  0.2063 14.344  -68.9000  -0.13  -0.44  -0.07  -0.01  
1 1 1 20 4  24 o 4.9840  0.7548 5.5300  -79.5000  -0.76  -1.22  0.12   -0.08  
1 1 1 20 4  25 o 8.6174  0.4474 9.4953  33.100    0.16   0.86   -0.12  -0.08  
1 1 1 20 4  26 o 4.1575  1.1587 ?       ?         -0.06  0.19   -0.00  -0.00  
1 1 1 20 5  0  o 6.4962  0.1578 3.1289  0.3000    -0.01  0.00   0.00   0.00   
1 1 1 20 5  1  o 35.524  0.4048 44.727  134.000   0.13   1.89   0.25   -0.02  
1 1 1 20 5  2  o 38.966  0.8359 31.494  -54.4000  -15.79 -2.95  -4.69  -2.06  
1 1 1 20 5  3  o 18.308  0.2375 19.806  -125.2000 -2.12  -0.38  -0.73  -0.23  
1 1 1 20 5  4  o 36.748  0.4797 47.668  51.700    13.23  -2.27  -8.06  3.39   
1 1 1 20 5  5  o 15.590  0.8436 13.959  -59.1000  9.01   -24.72 5.72   4.93   
1 1 1 20 5  6  o 48.959  0.5370 56.500  -81.2000  2.49   -4.06  0.50   0.74   
1 1 1 20 5  7  o 66.981  0.2867 61.909  172.100   -0.12  -0.91  0.28   -0.59  
1 1 1 20 5  8  f 51.248  0.2370 33.122  98.400    -0.31  -0.05  -0.08  0.15   
1 1 1 20 5  9  o 32.413  0.6930 20.770  108.600   -2.52  10.31  1.92   1.22   
1 1 1 20 5  10 o 31.155  0.3670 31.571  54.700    4.99   1.23   -1.55  -1.21  
1 1 1 20 5  11 o 50.361  0.5789 55.954  4.1000    4.02   -0.02  -0.69  0.23   
1 1 1 20 5  12 o 4.6905  0.2428 6.7653  66.500    0.21   0.17   -0.00  -0.04  
1 1 1 20 5  13 o 34.225  0.1893 27.618  63.700    0.04   0.35   -0.07  0.46   
1 1 1 20 5  14 o 19.331  0.1738 23.220  158.000   -1.18  -0.83  -0.01  -0.69  
1 1 1 20 5  15 o 14.408  0.1538 11.594  17.800    0.35   0.84   0.19   -0.48  
1 1 1 20 5  16 o 10.815  0.1642 8.1005  -106.6000 -0.30  0.15   -0.02  0.07   
1 1 1 20 5  17 f 18.617  0.2585 11.586  67.100    -2.99  1.50   -0.39  1.50   
1 1 1 20 5  18 o 13.510  0.1727 10.463  -106.7000 0.04   -0.25  0.04   -0.03  
1 1 1 20 5  19 o 13.351  0.3090 10.453  170.300   -1.80  -1.11  -0.37  -0.30  
1 1 1 20 5  20 o 16.971  0.1899 17.483  -82.3000  0.47   -1.02  -1.32  0.24   
1 1 1 20 5  21 o 13.708  0.3685 12.935  29.700    0.82   -0.58  -0.08  0.05   
1 1 1 20 5  22 o 8.0338  0.2719 8.1381  -1.5000   0.06   0.11   0.01   0.01   
1 1 1 20 5  23 o 18.040  0.1932 17.876  20.400    1.01   0.78   0.13   0.45   
1 1 1 20 5  24 o 13.739  0.2577 14.072  134.100   -1.96  2.04   -1.14  -0.58  
1 1 1 20 5  25 o 8.4516  0.4167 9.9782  -49.7000  0.81   0.03   0.09   -0.10  
1 1 1 20 5  26 o 10.378  0.6130 ?       ?         -1.09  0.11   -0.00  -0.02  
1 1 1 20 6  0  o 26.948  0.2409 54.450  180.000   0.05   0.00   0.00   0.00   
1 1 1 20 6  1  o 47.294  0.3864 47.837  55.000    -3.37  4.47   0.46   2.69   
1 1 1 20 6  2  o 106.222 0.4875 108.283 -130.9000 0.38   -2.89  0.78   0.67   
1 1 1 20 6  3  o 23.431  0.1404 18.463  121.100   -0.68  1.04   0.41   0.68   
1 1 1 20 6  4  o 52.588  0.3752 46.003  69.600    4.72   3.36   -1.46  -2.75  
1 1 1 20 6  5  o 39.388  0.1900 37.476  -136.2000 1.78   -2.62  0.59   3.40   
1 1 1 20 6  6  o 23.859  0.2107 27.531  -68.9000  0.08   -2.11  0.78   -0.02  
1 1 1 20 6  7  o 49.546  0.8717 39.849  14.500    11.94  11.25  0.06   -4.01  
1 1 1 20 6  8  o 27.365  0.1756 32.130  -10.3000  -0.81  -0.03  -1.24  0.93   
1 1 1 20 6  9  o 39.657  0.3177 27.423  80.800    -1.33  2.64   0.35   0.92   
1 1 1 20 6  10 o 23.443  0.1563 14.671  98.500    0.08   0.03   0.12   0.04   
1 1 1 20 6  11 o 50.856  0.2381 49.713  23.400    0.11   0.10   -0.00  0.04   
1 1 1 20 6  12 o 18.589  0.2219 11.683  -41.1000  0.87   -2.93  2.08   0.69   
1 1 1 20 6  13 o 19.798  0.1503 18.314  -82.0000  -0.02  -0.08  -0.04  -0.06  
1 1 1 20 6  14 o 13.534  0.3777 11.959  120.800   -3.13  1.15   -0.56  0.39   
1 1 1 20 6  15 o 6.5437  0.5801 4.1490  47.700    4.60   2.32   -0.61  -0.74  
1 1 1 20 6  16 o 9.9021  0.1781 13.503  -94.0000  -0.98  -0.63  -0.09  -0.47  
1 1 1 20 6  17 o 16.627  0.2894 13.348  43.200    2.80   -0.35  -0.86  -0.05  
1 1 1 20 6  18 o 23.983  0.1659 24.478  -136.9000 -0.48  -0.59  0.07   0.67   
1 1 1 20 6  19 o 11.326  0.3097 8.2559  61.700    -0.39  0.76   0.02   0.08   
1 1 1 20 6  20 o 6.9535  0.2719 5.4674  -104.4000 0.38   0.85   0.07   -0.34  
1 1 1 20 6  21 o 4.9854  0.4561 4.3280  -178.2000 -0.53  -0.28  -0.01  -0.05  
1 1 1 20 6  22 o 17.127  0.1917 17.491  -172.6000 -2.62  0.40   -0.73  -0.93  
1 1 1 20 6  23 o 10.855  0.2284 10.258  85.300    -0.11  0.05   0.00   0.00   
1 1 1 20 6  24 o 8.7790  0.3320 9.7533  51.200    -0.18  -0.50  -0.04  -0.04  
1 1 1 20 6  25 o 6.0434  0.5047 5.4479  85.300    0.41   0.31   0.04   0.08   
1 1 1 20 6  26 o 10.114  0.6365 ?       ?         -0.19  -0.47  -0.00  0.01   
1 1 1 20 7  0  o 36.812  0.2308 34.179  -180.0000 0.09   0.00   0.00   0.00   
1 1 1 20 7  1  o 77.093  0.5434 76.711  -172.3000 -4.52  -6.42  2.31   -3.73  
1 1 1 20 7  2  o 15.124  0.5736 21.026  110.700   -2.95  -2.53  -0.07  -0.44  
1 1 1 20 7  3  o 33.513  0.4422 22.347  85.000    -0.90  4.68   1.16   0.54   
1 1 1 20 7  4  o 41.013  0.4165 45.647  18.200    3.44   3.09   -0.26  -1.28  
1 1 1 20 7  5  o 41.422  0.5604 48.911  47.300    3.52   8.03   1.90   -1.81  
1 1 1 20 7  6  f 46.329  0.8433 53.100  -17.8000  16.89  -0.98  -4.34  0.83   
1 1 1 20 7  7  o 102.316 0.4209 100.480 -175.3000 -2.70  0.48   0.81   1.78   
1 1 1 20 7  8  o 44.346  0.5379 37.238  -42.5000  3.55   -1.87  -0.46  0.48   
1 1 1 20 7  9  o 26.086  0.4068 24.981  -90.7000  -3.11  -5.35  0.78   -1.79  
1 1 1 20 7  10 o 28.745  0.2390 21.689  -147.3000 0.40   -1.61  0.32   0.28   
1 1 1 20 7  11 o 36.013  0.1904 38.311  167.000   -0.47  0.32   -0.07  0.06   
1 1 1 20 7  12 o 24.271  0.1740 20.564  -8.9000   -0.24  -0.50  0.26   -0.05  
1 1 1 20 7  13 o 14.004  0.1347 11.791  73.700    -0.90  -1.31  0.73   -1.10  
1 1 1 20 7  14 o 12.700  0.6055 3.1708  -133.6000 -5.58  -3.69  -0.49  -0.99  
1 1 1 20 7  15 o 10.770  0.2570 12.468  43.000    1.01   0.76   -0.03  -0.25  
1 1 1 20 7  16 f 31.231  0.3605 25.082  -73.8000  0.31   -3.45  0.71   -0.10  
1 1 1 20 7  17 o 25.995  0.1620 27.239  23.000    0.79   0.58   1.27   0.19   
1 1 1 20 7  18 o 18.197  0.1574 22.794  -45.1000  0.47   -0.45  -0.45  -0.02  
1 1 1 20 7  19 o 12.009  0.1901 10.947  14.300    -0.07  -0.84  0.14   -0.14  
1 1 1 20 7  20 o 8.9898  0.3821 8.4358  -34.0000  0.77   -2.09  0.23   0.36   
1 1 1 20 7  21 o 12.557  0.4390 12.884  45.400    -1.82  0.12   -0.23  -0.09  
1 1 1 20 7  22 o 10.086  0.5160 9.2311  33.100    1.84   0.34   -0.14  0.00   
1 1 1 20 7  23 o 8.2656  0.3010 7.9165  -167.0000 -0.16  0.67   -0.13  0.18   
1 1 1 20 7  24 o 8.2534  0.3343 7.6674  17.000    0.12   0.46   -0.04  0.08   
1 1 1 20 7  25 o 3.0938  0.8296 ?       ?         -0.09  0.08   0.00   -0.00  
1 1 1 20 7  26 o 10.128  0.7685 ?       ?         -0.22  0.54   -0.01  0.00   
1 1 1 20 8  0  o 31.716  0.2378 7.6292  0.1000    0.08   0.00   0.00   0.00   
1 1 1 20 8  1  o 30.390  0.6117 16.907  -124.1000 -0.33  -6.50  1.22   -0.17  
1 1 1 20 8  2  o 41.651  0.8462 43.913  113.400   0.01   9.97   1.72   -0.08  
1 1 1 20 8  3  o 28.508  0.4032 35.505  -58.7000  -1.92  -4.62  0.94   -1.05  
1 1 1 20 8  4  f 16.635  0.3903 35.998  1.8000    1.11   -1.48  0.06   0.18   
1 1 1 20 8  5  o 14.505  0.4789 3.6060  140.100   5.27   -5.97  0.31   2.12   
1 1 1 20 8  6  o 72.968  0.3080 61.388  83.300    0.37   0.16   -0.15  0.31   
1 1 1 20 8  7  o 21.479  0.2107 17.797  -170.0000 0.23   -3.90  3.21   -0.13  
1 1 1 20 8  8  o 35.918  0.5642 27.592  -100.2000 4.15   -5.54  0.24   1.63   
1 1 1 20 8  9  o 24.811  0.1618 28.965  -125.2000 0.14   0.46   0.10   -0.17  
1 1 1 20 8  10 o 37.877  0.1865 40.323  -58.8000  -0.23  -1.34  0.33   -1.58  
1 1 1 20 8  11 o 24.895  0.1871 26.156  -149.3000 0.14   -2.85  1.93   0.81   
1 1 1 20 8  12 o 23.640  0.6480 20.050  97.500    -1.01  3.05   0.26   0.15   
1 1 1 20 8  13 o 16.000  0.1401 16.140  -71.2000  0.99   -0.65  -0.32  0.43   
1 1 1 20 8  14 o 22.023  0.1662 24.422  -139.3000 0.01   0.79   0.28   0.13   
1 1 1 20 8  15 o 15.730  0.1976 16.376  -20.9000  0.83   -0.32  -0.09  0.15   
1 1 1 20 8  16 f 26.117  0.1679 24.603  13.500    0.20   0.40   0.05   -0.02  
1 1 1 20 8  17 o 12.290  0.3917 13.243  -133.8000 -3.30  -0.50  -0.69  -0.09  
1 1 1 20 8  18 o 13.748  0.5465 11.008  -178.3000 -6.72  -2.29  -1.12  -1.31  
1 1 1 20 8  19 o 8.8984  0.2253 8.5122  25.100    0.73   -0.48  0.15   0.41   
1 1 1 20 8  20 o 13.055  0.1888 12.161  -45.9000  0.40   -1.56  0.77   -0.18  
1 1 1 20 8  21 o 11.366  0.2156 10.594  58.900    0.24   0.05   0.04   0.05   
1 1 1 20 8  22 o 10.594  0.2228 9.5632  137.200   -0.34  0.41   0.11   0.02   
1 1 1 20 8  23 o 5.6213  0.3922 6.6507  98.100    -0.17  -0.71  0.07   0.02   
1 1 1 20 8  24 o 10.652  0.3167 12.268  -38.6000  1.23   -0.82  -0.29  -0.31  
1 1 1 20 8  25 o 14.156  0.3072 ?       ?         0.87   0.19   0.06   -0.00  
1 1 1 20 8  26 o 6.0373  0.8417 ?       ?         0.04   -0.51  0.00   -0.01  
1 1 1 20 9  0  o 32.345  0.2546 25.844  -0.0000   -0.09  0.00   0.00   0.00   
1 1 1 20 9  1  o 105.016 0.4561 95.815  -58.2000  0.27   -0.50  0.20   -0.03  
1 1 1 20 9  2  o 43.539  0.4632 35.878  -3.6000   3.54   2.68   -0.22  -1.14  
1 1 1 20 9  3  o 54.831  0.4993 43.405  -6.5000   2.95   -3.16  -0.06  0.99   
1 1 1 20 9  4  o 79.540  0.3401 96.941  -100.9000 0.54   -0.13  -0.28  -0.21  
1 1 1 20 9  5  o 39.519  0.1930 51.868  170.000   -0.06  0.21   0.05   -0.65  
1 1 1 20 9  6  f 46.969  0.2297 48.208  -141.5000 -1.39  0.01   -0.48  -0.14  
1 1 1 20 9  7  o 78.027  0.4823 66.640  10.800    3.43   -1.83  -0.07  1.22   
1 1 1 20 9  8  o 20.363  0.1821 26.933  -92.2000  -2.84  -1.94  -1.65  -2.59  
1 1 1 20 9  9  o 30.198  0.5194 36.626  -47.9000  5.25   -7.46  0.61   2.59   
1 1 1 20 9  10 o 31.074  0.1993 35.862  163.600   -0.15  0.23   0.19   -0.11  
1 1 1 20 9  11 o 47.791  0.3793 53.174  172.500   -2.16  2.46   0.45   0.79   
1 1 1 20 9  12 o 46.576  0.2219 44.314  -166.5000 -1.30  -0.48  -0.01  -0.56  
1 1 1 20 9  13 o 36.136  0.1885 32.984  7.9000    -0.42  -1.13  0.05   -0.54  
1 1 1 20 9  14 o 28.880  0.2842 30.092  -94.1000  -2.98  -1.45  -1.03  -0.72  
1 1 1 20 9  15 o 46.456  0.4147 43.330  -117.3000 -1.43  -2.35  -0.04  -0.49  
1 1 1 20 9  16 f 7.0561  0.2642 5.8670  94.500    -1.87  -0.38  -0.50  -0.30  
1 1 1 20 9  17 o 23.550  0.1675 22.124  -88.2000  1.05   0.38   -0.51  0.11   
1 1 1 20 9  18 f 6.9272  0.2461 8.8252  25.300    -0.12  -0.20  -0.13  -0.12  
1 1 1 20 9  19 o 7.9264  0.2407 7.9826  -2.1000   -0.08  0.09   -0.04  0.01   
1 1 1 20 9  20 o 6.1523  0.2857 5.3253  -66.5000  0.19   0.46   0.36   0.09   
1 1 1 20 9  21 o 13.744  0.2791 14.319  144.200   -1.15  -0.58  0.04   -0.21  
1 1 1 20 9  22 o 10.130  0.2593 11.721  159.900   0.07   -0.64  0.03   0.05   
1 1 1 20 9  23 o 11.421  0.2185 10.819  40.100    0.10   0.11   0.00   0.01   
1 1 1 20 9  24 o 9.1937  0.3365 9.3893  -136.1000 0.60   -0.68  -0.17  -0.03  
1 1 1 20 9  25 o 7.8453  0.8092 ?       ?         -2.04  -0.82  -0.20  0.05   
1 1 1 20 9  26 o 4.2991  0.9456 ?       ?         0.04   0.10   -0.00  0.00   
1 1 1 20 10 0  o 57.318  0.3382 30.648  -0.0000   0.31   0.00   0.00   0.00   
1 1 1 20 10 1  o 44.170  1.1090 34.055  -98.3000  -10.23 -0.20  -1.14  0.01   
1 1 1 20 10 2  o 38.698  1.5365 51.820  -30.3000  56.48  -8.62  -13.27 3.82   
1 1 1 20 10 3  o 35.617  0.1908 26.739  -88.3000  -0.15  -0.04  0.01   0.65   
1 1 1 20 10 4  o 86.224  0.3827 75.045  -59.3000  4.66   0.16   -2.80  -1.52  
1 1 1 20 10 5  o 10.718  0.1444 5.1465  43.400    0.69   -0.37  -0.27  0.53   
1 1 1 20 10 6  o 11.718  0.2347 10.661  -68.9000  2.00   -1.51  -0.18  0.73   
1 1 1 20 10 7  o 57.464  0.2525 52.118  45.700    -0.70  1.10   -0.56  0.95   
1 1 1 20 10 8  o 73.572  0.4188 66.509  132.100   -7.45  -4.49  1.07   -7.21  
1 1 1 20 10 9  o 32.904  0.2474 32.112  96.200    -0.11  0.93   0.13   0.07   
1 1 1 20 10 10 o 43.089  0.4747 43.473  128.800   -3.58  0.74   -0.84  0.07   
1 1 1 20 10 11 o 11.163  0.3663 7.3363  -5.0000   2.64   0.73   -0.42  -0.22  
1 1 1 20 10 12 o 18.507  0.2921 23.382  -91.1000  -1.14  -2.35  0.41   -0.78  
1 1 1 20 10 13 o 19.252  0.1607 15.057  -8.5000   0.22   0.36   -0.04  -0.20  
1 1 1 20 10 14 o 28.127  0.3654 26.135  23.000    0.18   2.79   0.57   -0.23  
1 1 1 20 10 15 o 32.106  0.4522 29.676  -132.3000 -7.28  -2.37  -2.50  -0.90  
1 1 1 20 10 16 o 12.284  0.1657 15.254  -142.7000 0.12   -1.01  0.60   0.80   
1 1 1 20 10 17 o 15.234  0.2380 17.033  88.600    -0.61  0.96   0.12   0.12   
1 1 1 20 10 18 o 20.187  0.1664 21.065  -9.1000   0.18   -0.17  0.02   -0.10  
1 1 1 20 10 19 o 9.5987  0.2150 8.7448  13.300    -0.07  -0.14  0.03   0.04   
1 1 1 20 10 20 o 6.3622  0.3069 6.0125  -43.7000  0.39   -0.65  0.48   0.07   
1 1 1 20 10 21 o 14.598  0.1953 14.675  -49.1000  0.53   -0.18  0.19   0.06   
1 1 1 20 10 22 f 3.8690  0.4744 3.2006  152.300   0.50   0.22   -0.07  -0.01  
1 1 1 20 10 23 o 3.5669  0.5242 5.0460  -30.3000  -0.10  -0.03  0.01   -0.01  
1 1 1 20 10 24 o 5.9914  0.4152 5.3595  -21.8000  0.45   0.29   0.13   0.02   
1 1 1 20 10 25 o 6.7392  0.5147 ?       ?         -0.40  -1.09  -0.15  -0.07  
1 1 1 20 10 26 f 9.1018  0.5198 ?       ?         -0.30  -0.56  -0.02  0.02   
1 1 1 20 11 0  o 54.117  0.3215 68.831  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 20 11 1  o 52.719  0.2314 56.990  3.8000    0.13   3.36   2.75   0.51   
1 1 1 20 11 2  o 34.487  0.6747 35.523  -27.4000  9.15   -1.54  -1.81  0.54   
1 1 1 20 11 3  o 45.366  0.5129 43.044  40.900    5.79   -1.81  -1.35  0.77   
1 1 1 20 11 4  o 49.896  0.2381 50.598  -72.4000  2.32   -0.12  -4.90  -3.51  
1 1 1 20 11 5  o 22.793  0.3037 15.404  -179.6000 -3.78  3.64   0.07   2.18   
1 1 1 20 11 6  o 42.981  0.2020 31.685  -150.6000 -0.92  -0.64  -0.58  -0.41  
1 1 1 20 11 7  o 46.934  0.4057 47.152  -0.9000   3.25   1.40   -0.79  -0.51  
1 1 1 20 11 8  o 11.180  0.1402 9.1088  0.7000    -0.04  0.06   0.23   -0.31  
1 1 1 20 11 9  o 9.0266  0.1999 2.2619  -12.7000  0.61   1.46   0.33   -0.39  
1 1 1 20 11 10 o 75.103  0.3276 73.978  46.000    -0.23  1.46   -0.86  0.48   
1 1 1 20 11 11 o 35.520  0.1933 35.561  1.7000    -0.41  -1.08  0.13   -0.36  
1 1 1 20 11 12 o 18.824  0.1691 15.037  137.000   -1.08  -0.97  0.43   -1.43  
1 1 1 20 11 13 o 19.133  0.1474 20.005  -71.7000  -1.11  -0.38  -0.40  -1.32  
1 1 1 20 11 14 o 13.490  0.1487 20.880  -0.9000   -0.09  -0.06  -0.06  0.00   
1 1 1 20 11 15 o 10.018  0.2323 15.180  112.100   0.25   0.16   -0.01  -0.01  
1 1 1 20 11 16 o 6.9481  0.2416 7.0795  -105.6000 0.39   -0.18  -0.04  0.16   
1 1 1 20 11 17 o 12.363  0.2464 10.173  74.400    1.72   2.61   0.97   -1.06  
1 1 1 20 11 18 o 20.085  0.2688 24.549  17.200    1.44   0.27   -0.26  0.11   
1 1 1 20 11 19 o 16.386  0.3364 16.091  -4.1000   0.96   -1.86  0.33   0.16   
1 1 1 20 11 20 o 10.122  0.2311 7.7015  56.900    -0.15  -0.15  0.06   -0.00  
1 1 1 20 11 21 o 6.1061  0.3697 5.4904  -13.0000  -0.08  -0.53  0.03   -0.03  
1 1 1 20 11 22 o 5.1349  0.5604 2.9799  45.900    0.04   0.48   0.02   -0.01  
1 1 1 20 11 23 o 10.870  0.4667 10.710  -120.2000 1.75   -2.80  -0.20  0.66   
1 1 1 20 11 24 o 5.9513  0.5589 6.5231  -92.1000  -0.13  -0.18  0.00   -0.00  
1 1 1 20 11 25 o 13.489  0.3459 ?       ?         -1.12  0.57   0.04   -0.11  
1 1 1 20 11 26 o 7.9389  0.6531 ?       ?         -0.41  -0.51  -0.00  0.02   
1 1 1 20 12 0  o 2.9833  0.3029 12.345  179.900   -0.02  0.00   0.00   0.00   
1 1 1 20 12 1  o 27.874  0.1354 27.664  -30.9000  -0.07  0.28   0.06   0.05   
1 1 1 20 12 2  f 36.822  0.1924 29.982  -23.0000  3.72   1.99   -2.09  -4.90  
1 1 1 20 12 3  o 35.634  0.1966 42.785  -147.7000 -1.21  0.29   -2.71  0.07   
1 1 1 20 12 4  o 27.398  0.2534 41.726  149.400   2.36   3.21   0.97   -2.11  
1 1 1 20 12 5  o 78.931  0.3325 72.738  -162.8000 -0.10  -1.05  0.05   1.48   
1 1 1 20 12 6  o 50.445  0.3752 54.786  145.400   -1.35  -1.37  0.10   -0.32  
1 1 1 20 12 7  o 52.714  0.2407 53.601  -170.1000 -0.51  -1.41  1.85   1.49   
1 1 1 20 12 8  o 21.863  0.1468 22.879  57.800    -1.43  0.88   -0.74  0.80   
1 1 1 20 12 9  o 24.086  0.2735 18.974  -52.3000  1.01   -0.54  -0.12  0.12   
1 1 1 20 12 10 o 40.013  0.1937 49.037  127.900   -1.21  -0.23  0.75   -2.36  
1 1 1 20 12 11 o 27.232  0.1656 21.139  -26.2000  -0.19  -1.13  0.41   -0.54  
1 1 1 20 12 12 f 21.588  0.3117 21.742  140.700   0.28   0.20   -0.00  -0.01  
1 1 1 20 12 13 o 15.777  0.4702 9.4907  -94.4000  4.44   -4.43  0.17   1.67   
1 1 1 20 12 14 o 38.327  0.5155 35.282  -36.3000  5.99   0.57   -1.49  -0.93  
1 1 1 20 12 15 o 15.486  0.1811 15.616  36.900    0.23   1.60   2.54   1.07   
1 1 1 20 12 16 o 34.953  0.1983 33.394  45.800    0.20   -1.18  0.07   0.31   
1 1 1 20 12 17 o 17.831  0.1511 15.699  -38.2000  -0.62  0.38   -0.29  0.06   
1 1 1 20 12 18 o 9.7351  0.2489 8.0565  94.900    -1.60  0.45   -0.53  0.04   
1 1 1 20 12 19 o 16.763  0.1943 12.859  60.300    0.90   -0.71  -0.53  0.03   
1 1 1 20 12 20 o 13.592  0.4971 11.063  100.400   0.53   3.56   0.52   0.01   
1 1 1 20 12 21 o 5.7848  0.3487 4.5584  -70.4000  0.12   -0.42  0.03   -0.32  
1 1 1 20 12 22 o 14.029  0.2019 13.394  101.800   -0.32  0.17   0.03   0.01   
1 1 1 20 12 23 o 20.616  0.2289 22.752  74.900    1.12   1.32   -0.29  0.04   
1 1 1 20 12 24 o 7.0269  0.3665 7.7291  82.100    -0.47  0.41   0.09   0.01   
1 1 1 20 12 25 o 4.4263  0.8371 ?       ?         0.09   -0.49  -0.02  0.02   
1 1 1 20 12 26 o 3.5856  1.6382 ?       ?         0.21   -0.05  0.00   0.00   
1 1 1 20 13 0  o 18.360  0.1993 8.5154  -179.8000 0.03   0.00   0.00   0.00   
1 1 1 20 13 1  o 33.730  0.2125 41.397  43.500    0.67   0.37   -0.03  -1.55  
1 1 1 20 13 2  o 39.491  0.7064 40.339  127.200   10.97  12.94  0.53   -5.19  
1 1 1 20 13 3  o 51.193  0.2233 43.378  -108.0000 -5.50  -0.63  -7.50  0.80   
1 1 1 20 13 4  o 46.263  0.2056 42.979  116.700   -0.87  -0.46  -0.02  -0.97  
1 1 1 20 13 5  o 43.211  0.3680 49.147  -59.9000  -3.45  -1.97  -0.39  -1.57  
1 1 1 20 13 6  o 14.310  0.7596 13.201  140.700   12.20  22.66  5.48   -7.83  
1 1 1 20 13 7  o 15.045  0.2718 14.444  -82.8000  -3.80  -0.84  -1.57  -0.93  
1 1 1 20 13 8  o 42.279  0.3568 51.598  61.000    -3.50  1.25   -1.08  0.44   
1 1 1 20 13 9  f 28.354  0.1665 30.407  89.600    -0.02  -0.07  -0.00  -0.01  
1 1 1 20 13 10 o 23.924  0.3909 27.668  -51.5000  4.13   -4.15  -0.27  1.96   
1 1 1 20 13 11 o 21.184  0.5244 20.924  -75.5000  2.50   -5.75  1.14   0.97   
1 1 1 20 13 12 o 17.008  0.2974 16.668  -122.3000 -1.99  -1.67  -0.15  -0.53  
1 1 1 20 13 13 o 30.949  0.1780 34.920  47.500    1.65   -0.33  -0.48  0.62   
1 1 1 20 13 14 o 17.252  0.2246 17.377  155.000   -1.83  -1.14  -0.16  -0.81  
1 1 1 20 13 15 o 10.893  0.1735 6.3622  157.900   -0.17  0.99   0.37   0.02   
1 1 1 20 13 16 o 36.750  0.1945 34.738  -50.3000  0.52   -0.42  -0.15  -0.02  
1 1 1 20 13 17 o 13.742  0.1548 12.839  56.900    0.06   0.06   -0.02  0.01   
1 1 1 20 13 18 o 25.604  0.1685 24.092  34.500    0.20   1.62   0.17   0.76   
1 1 1 20 13 19 o 12.281  0.3237 9.7924  -98.8000  1.28   -0.80  -0.18  0.14   
1 1 1 20 13 20 o 12.871  0.1968 13.472  87.900    -0.72  0.31   -0.00  0.14   
1 1 1 20 13 21 o 21.559  0.6699 20.638  -2.8000   3.65   -1.19  -0.35  0.01   
1 1 1 20 13 22 f 11.918  0.3317 11.318  -64.9000  -1.80  -0.52  -0.35  0.15   
1 1 1 20 13 23 o 7.3330  0.3940 5.7060  50.400    0.69   0.68   0.14   -0.05  
1 1 1 20 13 24 o 4.0097  0.6065 3.6465  165.600   -0.19  0.34   -0.04  0.01   
1 1 1 20 13 25 o 3.1894  0.9256 ?       ?         0.51   0.22   0.07   0.05   
1 1 1 20 13 26 o 9.2126  0.6062 ?       ?         -0.33  -1.58  -0.03  -0.04  
1 1 1 20 14 0  f 24.548  0.2180 11.072  -0.0000   0.12   0.00   0.00   0.00   
1 1 1 20 14 1  o 27.999  0.1798 40.722  -61.1000  -1.06  -0.08  -0.77  0.10   
1 1 1 20 14 2  o 16.719  0.4468 5.1324  121.700   0.89   -4.22  0.57   0.23   
1 1 1 20 14 3  o 81.460  0.3463 70.323  -118.8000 -0.54  -0.47  0.70   0.31   
1 1 1 20 14 4  o 18.650  0.6753 27.852  -97.4000  -17.67 -12.43 -2.62  -8.40  
1 1 1 20 14 5  o 52.520  0.2573 56.709  -83.8000  -0.30  0.51   -0.53  -0.96  
1 1 1 20 14 6  f 23.523  0.7298 15.336  -114.3000 -2.19  -10.80 1.72   -0.62  
1 1 1 20 14 7  o 20.781  0.3590 19.997  -155.0000 -2.57  -2.73  0.13   -0.83  
1 1 1 20 14 8  o 46.372  0.9201 60.399  -141.8000 -17.95 -8.13  -4.03  -3.49  
1 1 1 20 14 9  o 29.313  0.6265 22.176  -21.8000  3.83   0.20   -0.42  -0.10  
1 1 1 20 14 10 o 34.014  0.1766 29.028  -9.7000   0.01   0.21   -0.21  0.08   
1 1 1 20 14 11 o 24.648  0.7306 24.389  -119.4000 -9.42  -4.28  -1.94  -1.73  
1 1 1 20 14 12 o 12.673  0.1742 18.057  34.200    0.21   -0.08  0.16   0.32   
1 1 1 20 14 13 o 47.396  0.2472 45.666  163.600   0.65   -0.26  0.52   -0.01  
1 1 1 20 14 14 o 12.478  0.1672 12.887  -162.0000 0.63   0.01   -0.63  -0.62  
1 1 1 20 14 15 o 28.470  0.3379 21.001  91.900    -3.19  1.79   -0.68  0.57   
1 1 1 20 14 16 o 18.841  0.2125 19.540  99.100    0.04   0.97   0.17   0.08   
1 1 1 20 14 17 o 10.630  0.1867 10.155  -164.3000 -0.04  0.08   0.01   -0.01  
1 1 1 20 14 18 o 11.432  0.4582 10.480  -74.3000  1.57   -1.77  -0.05  0.28   
1 1 1 20 14 19 o 11.892  0.3094 11.986  1.4000    -0.34  0.13   -0.01  0.00   
1 1 1 20 14 20 o 17.095  0.1887 15.352  -157.7000 -0.74  -2.24  0.86   1.56   
1 1 1 20 14 21 o 5.4751  0.4760 5.5609  167.300   -0.04  -0.40  0.02   0.01   
1 1 1 20 14 22 o 13.193  0.4126 13.147  21.000    -0.18  1.64   0.09   0.18   
1 1 1 20 14 23 o 9.0070  0.3033 9.3556  37.800    0.45   -0.52  -0.10  -0.17  
1 1 1 20 14 24 o 4.6170  0.5365 5.0048  -162.0000 0.07   -0.06  -0.00  -0.00  
1 1 1 20 14 25 f 11.754  0.4098 ?       ?         -0.95  0.57   -0.03  -0.09  
1 1 1 20 14 26 o 2.0348  1.3251 ?       ?         -0.02  0.17   -0.00  -0.00  
1 1 1 20 15 0  o 20.379  0.2353 35.089  -180.0000 0.13   0.00   0.00   0.00   
1 1 1 20 15 1  o 27.086  0.3578 25.597  4.1000    -4.01  5.57   1.41   3.22   
1 1 1 20 15 2  o 34.761  0.6289 24.468  -165.1000 -12.38 -1.29  -3.37  -0.94  
1 1 1 20 15 3  o 64.939  0.6153 68.530  -52.8000  -0.56  -2.44  0.20   -0.15  
1 1 1 20 15 4  o 41.055  0.5100 53.628  104.900   -14.32 -4.99  -6.43  -6.99  
1 1 1 20 15 5  o 37.686  0.1832 32.896  -4.5000   0.28   0.78   1.33   0.45   
1 1 1 20 15 6  o 50.709  0.2350 54.896  -74.8000  -0.19  -0.84  0.10   -0.30  
1 1 1 20 15 7  o 33.059  0.1811 34.362  107.900   -0.45  -0.13  -0.05  -0.10  
1 1 1 20 15 8  o 10.604  0.1847 13.411  -79.3000  1.27   -2.82  1.48   2.28   
1 1 1 20 15 9  o 16.774  0.4148 15.805  2.8000    1.81   -1.44  -0.04  0.32   
1 1 1 20 15 10 o 9.0247  0.7303 11.298  -79.1000  2.54   -6.81  0.82   0.78   
1 1 1 20 15 11 o 14.375  0.2331 12.488  124.400   -0.94  4.32   2.33   0.75   
1 1 1 20 15 12 o 23.331  0.2463 20.568  -50.8000  0.51   -2.36  0.97   0.10   
1 1 1 20 15 13 o 25.858  0.1507 27.647  -165.2000 0.44   -0.34  -0.11  0.10   
1 1 1 20 15 14 o 16.578  0.2079 21.334  5.3000    0.90   -1.06  0.69   0.76   
1 1 1 20 15 15 o 7.6854  0.2375 2.0039  -144.5000 0.58   -2.28  0.93   0.32   
1 1 1 20 15 16 o 20.632  0.1805 20.657  19.200    -0.25  0.34   0.17   -0.02  
1 1 1 20 15 17 o 12.376  0.3269 10.512  172.500   -0.84  -3.35  1.15   -0.17  
1 1 1 20 15 18 o 33.491  0.2558 34.377  -138.9000 -2.16  -0.56  -0.40  0.37   
1 1 1 20 15 19 o 23.639  0.1791 22.515  -176.7000 -1.05  0.74   0.23   0.23   
1 1 1 20 15 20 o 13.144  0.2097 14.200  154.000   -0.54  0.01   -0.00  0.12   
1 1 1 20 15 21 o 5.3398  0.3522 4.5102  -92.2000  -0.07  -0.56  0.04   -0.16  
1 1 1 20 15 22 o 10.296  0.3209 9.2291  -59.2000  -0.35  -0.39  0.02   -0.02  
1 1 1 20 15 23 o 5.2735  0.4466 5.5196  48.200    0.04   -0.00  0.00   -0.00  
1 1 1 20 15 24 o 8.7803  0.5995 9.3170  126.200   -1.26  1.36   -0.11  0.12   
1 1 1 20 15 25 o 6.0396  1.3322 ?       ?         0.16   -0.08  -0.00  -0.00  
1 1 1 20 15 26 o 3.9890  1.7535 ?       ?         0.42   0.32   0.02   0.01   
1 1 1 20 16 0  o 7.0781  0.1656 9.1484  179.900   -0.02  0.00   0.00   0.00   
1 1 1 20 16 1  o 26.121  0.3507 11.329  83.700    -2.27  -0.53  -0.30  -0.18  
1 1 1 20 16 2  o 53.731  0.3517 50.760  136.200   3.68   3.33   -1.41  -2.49  
1 1 1 20 16 3  o 33.037  0.3949 38.348  27.700    2.97   1.38   -0.36  -0.58  
1 1 1 20 16 4  o 43.998  0.2018 45.068  -1.2000   0.24   -0.02  -0.02  -0.01  
1 1 1 20 16 5  o 15.596  0.4933 17.925  88.500    -13.47 5.54   -4.40  3.97   
1 1 1 20 16 6  o 6.7902  0.1891 7.8141  -34.0000  -1.06  2.23   0.89   0.97   
1 1 1 20 16 7  o 42.573  0.3793 34.774  -22.4000  4.76   4.48   0.64   -2.95  
1 1 1 20 16 8  o 43.874  0.3891 52.778  62.500    -0.18  1.74   0.22   0.15   
1 1 1 20 16 9  o 13.614  0.2223 19.765  -153.1000 0.58   -1.36  0.24   0.34   
1 1 1 20 16 10 o 19.967  0.4790 24.174  112.600   6.79   5.31   -0.38  -3.82  
1 1 1 20 16 11 o 23.619  0.3570 24.819  68.300    -1.54  6.58   2.66   0.86   
1 1 1 20 16 12 f 31.152  0.1691 30.111  -15.1000  0.66   0.24   0.78   -0.63  
1 1 1 20 16 13 o 20.136  0.1625 15.389  -89.9000  0.02   -0.16  -0.14  -0.08  
1 1 1 20 16 14 o 28.869  0.4031 33.358  -176.7000 -3.61  -1.72  -0.33  -0.77  
1 1 1 20 16 15 o 24.337  0.1893 22.033  -86.2000  -0.48  -0.10  -0.02  -0.06  
1 1 1 20 16 16 o 10.570  0.1913 6.7980  -151.8000 -0.54  -0.83  0.29   -0.23  
1 1 1 20 16 17 o 18.510  0.1894 19.050  -122.1000 -1.88  -0.71  -0.89  -0.00  
1 1 1 20 16 18 o 15.660  0.1760 14.402  48.900    0.36   0.78   -0.42  -0.37  
1 1 1 20 16 19 o 10.386  0.5746 10.490  -6.6000   3.77   -3.11  0.02   0.79   
1 1 1 20 16 20 o 12.866  0.1938 11.908  -122.7000 -0.05  -0.27  0.02   0.02   
1 1 1 20 16 21 o 4.3182  0.6672 4.1861  -172.3000 -0.95  -0.14  -0.06  -0.05  
1 1 1 20 16 22 o 4.3170  0.4799 5.1130  -117.4000 -0.38  -0.08  -0.04  0.04   
1 1 1 20 16 23 o 12.124  0.2718 13.715  -74.1000  -0.18  -0.54  -0.05  0.05   
1 1 1 20 16 24 o 4.5326  0.8126 3.2704  139.300   -0.50  0.77   0.07   0.02   
1 1 1 20 16 25 o 10.502  0.7833 ?       ?         -1.23  1.21   -0.07  -0.01  
1 1 1 20 16 26 o 10.287  0.6469 ?       ?         -0.35  -0.61  0.00   0.01   
1 1 1 20 17 0  o 26.052  0.3746 23.325  -180.0000 -0.12  0.00   0.00   0.00   
1 1 1 20 17 1  o 41.341  0.2448 44.459  -64.3000  0.21   -0.26  0.20   -0.43  
1 1 1 20 17 2  o 24.034  0.6746 17.501  -26.6000  8.74   0.57   -1.46  -0.11  
1 1 1 20 17 3  o 40.579  0.1893 35.557  108.100   0.59   0.19   -0.49  0.15   
1 1 1 20 17 4  o 12.954  0.3967 5.7057  97.500    -3.82  3.56   -0.13  1.10   
1 1 1 20 17 5  o 24.353  0.1384 30.003  147.700   -2.71  -1.66  -0.71  -4.11  
1 1 1 20 17 6  o 5.6020  0.1437 6.7298  42.100    0.70   -0.18  -0.82  0.67   
1 1 1 20 17 7  o 9.0905  0.2609 4.7964  128.700   -0.57  2.39   0.56   0.33   
1 1 1 20 17 8  o 19.863  0.3532 23.361  -35.3000  4.13   -0.81  -1.31  0.32   
1 1 1 20 17 9  o 51.053  0.8163 36.867  12.500    3.36   6.83   0.96   -0.76  
1 1 1 20 17 10 o 16.219  0.1945 20.499  -156.5000 -0.54  -1.21  0.39   -0.26  
1 1 1 20 17 11 f 33.779  0.3547 41.002  -147.7000 1.98   -6.44  2.10   2.31   
1 1 1 20 17 12 o 8.2142  0.1760 12.333  -172.3000 0.02   0.01   0.00   -0.01  
1 1 1 20 17 13 o 20.436  0.2552 14.887  -105.2000 -2.02  -1.66  -0.46  -0.85  
1 1 1 20 17 14 o 29.826  0.4351 22.405  151.100   -4.71  -1.16  -0.95  -0.19  
1 1 1 20 17 15 o 8.4309  0.3244 10.058  -24.6000  -0.02  0.02   0.00   0.00   
1 1 1 20 17 16 o 25.537  0.1791 25.210  111.500   -2.05  0.89   -2.06  -1.57  
1 1 1 20 17 17 o 11.333  0.1850 9.3406  20.400    -0.01  -0.00  0.00   -0.00  
1 1 1 20 17 18 o 13.714  0.2819 15.509  -21.9000  1.96   0.43   -0.27  -0.38  
1 1 1 20 17 19 f 16.800  0.1787 17.608  22.200    0.84   0.92   0.53   1.37   
1 1 1 20 17 20 o 7.9421  0.3850 6.8240  96.100    0.43   1.19   0.14   -0.03  
1 1 1 20 17 21 o 7.2699  0.4690 4.5789  -155.8000 -1.57  -0.87  -0.01  -0.24  
1 1 1 20 17 22 f 8.2343  0.2603 7.1932  41.000    0.18   0.02   0.02   0.01   
1 1 1 20 17 23 o 9.1157  0.3374 9.1990  -132.9000 0.38   0.35   0.05   0.03   
1 1 1 20 17 24 o 4.7548  0.5651 ?       ?         -0.32  -0.14  0.02   0.01   
1 1 1 20 17 25 o 3.5786  1.0216 ?       ?         0.11   -0.15  0.00   -0.00  
1 1 1 20 17 26 o 6.1346  0.8501 ?       ?         -0.18  0.61   -0.02  -0.00  
1 1 1 20 18 0  o 20.990  0.2332 39.236  -0.0000   0.24   0.00   0.00   0.00   
1 1 1 20 18 1  f 28.730  0.2658 39.294  132.900   0.06   0.17   0.05   0.01   
1 1 1 20 18 2  o 68.092  0.3415 65.832  -173.2000 -2.10  0.28   -0.36  1.16   
1 1 1 20 18 3  o 13.694  0.6341 12.953  -170.2000 -16.60 -6.62  -3.81  -3.40  
1 1 1 20 18 4  o 55.370  0.2666 45.533  102.300   0.37   -0.08  -0.05  -0.14  
1 1 1 20 18 5  o 44.355  0.7338 42.525  137.400   -5.61  7.24   0.15   1.62   
1 1 1 20 18 6  o 14.778  0.1243 15.500  127.700   -0.45  -0.57  -0.23  -1.08  
1 1 1 20 18 7  o 33.316  0.6364 37.367  -179.8000 -3.86  0.83   -0.43  0.11   
1 1 1 20 18 8  o 4.8467  0.2045 9.5794  65.200    -0.45  -0.43  0.24   -1.12  
1 1 1 20 18 9  o 37.853  0.2069 38.719  124.500   -0.61  0.16   0.06   0.31   
1 1 1 20 18 10 o 19.860  0.5035 21.984  10.700    7.82   -10.89 1.97   4.58   
1 1 1 20 18 11 o 29.319  0.2429 22.253  103.000   -1.27  2.25   0.13   1.09   
1 1 1 20 18 12 o 32.519  0.1787 35.451  136.600   -0.53  -0.11  0.94   0.07   
1 1 1 20 18 13 o 15.180  0.3098 14.301  107.300   -2.35  0.67   -0.37  0.34   
1 1 1 20 18 14 o 25.128  0.3093 28.345  163.200   -1.28  2.81   0.67   0.38   
1 1 1 20 18 15 o 16.690  0.2350 16.525  -106.4000 -2.52  0.13   -0.81  0.43   
1 1 1 20 18 16 o 20.349  0.1992 23.681  120.000   -0.78  -0.38  -0.12  -0.04  
1 1 1 20 18 17 f 10.657  0.7830 5.9122  -153.2000 -1.88  -3.27  0.17   -0.21  
1 1 1 20 18 18 o 12.526  0.1817 11.717  -155.0000 -0.29  -0.07  -0.04  0.05   
1 1 1 20 18 19 o 5.7143  0.3502 5.5708  -144.2000 -0.05  0.30   0.06   -0.09  
1 1 1 20 18 20 o 11.400  0.2271 11.144  -52.0000  0.17   -1.10  0.21   -0.45  
1 1 1 20 18 21 o 7.3820  0.2872 6.7161  -47.3000  -0.21  0.35   -0.05  0.04   
1 1 1 20 18 22 o 9.5658  0.2656 10.467  152.800   -0.32  -0.07  0.01   -0.02  
1 1 1 20 18 23 o 4.2776  0.5583 3.6665  168.000   -0.03  0.16   -0.01  0.01   
1 1 1 20 18 24 o 4.0549  0.7238 ?       ?         0.28   -0.18  0.02   -0.00  
1 1 1 20 18 25 o 5.0818  0.7151 ?       ?         0.90   -0.08  0.06   -0.04  
1 1 1 20 18 26 o 7.7390  0.9731 ?       ?         -0.64  -0.62  0.01   0.01   
1 1 1 20 19 0  o 3.2094  0.5955 6.9015  -0.3000   -0.01  0.00   0.00   0.00   
1 1 1 20 19 1  o 23.165  0.3078 9.1690  -56.5000  0.43   -1.69  0.40   0.11   
1 1 1 20 19 2  o 16.245  0.4721 24.793  79.300    4.97   3.30   -0.47  -1.40  
1 1 1 20 19 3  f 26.302  0.3417 22.827  139.300   -6.28  1.97   -2.70  1.36   
1 1 1 20 19 4  o 12.998  0.4387 14.079  -149.6000 -13.18 -2.90  -5.74  -2.35  
1 1 1 20 19 5  o 18.261  0.8561 20.494  -36.8000  17.46  -12.69 -1.41  3.88   
1 1 1 20 19 6  o 38.460  0.1955 39.799  78.500    -1.01  -0.55  0.06   -0.44  
1 1 1 20 19 7  o 3.6059  0.2306 5.9237  57.900    -1.20  -0.12  -1.26  -0.11  
1 1 1 20 19 8  o 18.776  0.1591 17.771  -78.7000  2.00   -0.11  -1.19  -0.17  
1 1 1 20 19 9  f 22.292  0.2453 25.363  19.900    1.13   -0.07  -0.19  0.08   
1 1 1 20 19 10 f 28.932  0.4013 23.095  -40.6000  1.81   1.27   -0.15  -0.24  
1 1 1 20 19 11 o 15.238  0.1376 16.488  -101.2000 -0.09  -0.07  0.00   0.17   
1 1 1 20 19 12 o 28.292  0.1817 25.361  63.200    -1.40  0.74   -2.18  -0.49  
1 1 1 20 19 13 o 15.532  0.1618 18.353  -18.4000  0.01   0.03   0.00   0.00   
1 1 1 20 19 14 o 24.554  0.1897 29.005  58.000    -0.85  0.41   0.15   0.50   
1 1 1 20 19 15 o 6.3533  0.5892 5.8893  -2.0000   2.70   -2.76  0.07   0.58   
1 1 1 20 19 16 f 10.713  0.3351 15.081  128.400   -0.94  -0.50  -0.03  -0.08  
1 1 1 20 19 17 o 4.4895  0.3389 4.0118  -86.6000  0.79   0.43   -0.04  -0.19  
1 1 1 20 19 18 o 12.247  0.2824 13.502  -113.8000 -1.85  -0.80  -0.40  -0.16  
1 1 1 20 19 19 o 13.183  0.1987 13.150  -35.8000  0.17   0.30   0.04   0.05   
1 1 1 20 19 20 o 19.775  0.2004 18.315  87.100    -0.08  -0.33  -0.03  -0.00  
1 1 1 20 19 21 o 12.116  0.1981 13.026  22.200    0.50   0.32   0.11   -0.01  
1 1 1 20 19 22 o 5.1966  0.4596 3.1945  -133.7000 0.59   0.22   0.22   0.00   
1 1 1 20 19 23 o 10.120  0.5914 9.4398  -53.9000  0.43   -1.89  0.05   0.12   
1 1 1 20 19 24 o 3.1906  0.7937 ?       ?         -0.17  0.05   0.01   -0.00  
1 1 1 20 19 25 o 9.6209  0.8891 ?       ?         -0.48  -1.07  0.02   0.02   
1 1 1 20 19 26 o 3.6579  1.3340 ?       ?         -0.29  0.06   0.01   -0.00  
1 1 1 20 20 0  o 7.2595  0.4773 9.9067  -179.8000 0.05   0.00   0.00   0.00   
1 1 1 20 20 1  o 10.945  0.3795 0.1179  84.800    0.00   0.08   0.00   0.00   
1 1 1 20 20 2  o 6.2209  0.2023 8.7016  -179.9000 0.00   0.00   0.00   0.00   
1 1 1 20 20 3  o 74.095  0.4647 58.321  -90.0000  -0.00  -0.56  0.00   0.00   
1 1 1 20 20 4  o 35.189  0.2693 20.646  -179.9000 -0.17  0.00   0.00   0.00   
1 1 1 20 20 5  o 19.586  0.1746 12.564  90.000    -0.00  -0.16  0.00   0.00   
1 1 1 20 20 6  o 11.537  0.1834 19.055  -179.9000 -0.05  0.00   0.00   0.00   
1 1 1 20 20 7  o 44.194  0.3301 47.734  90.000    -0.00  -0.20  0.00   0.00   
1 1 1 20 20 8  f 19.759  0.1954 31.344  -179.9000 -0.03  0.00   0.00   0.00   
1 1 1 20 20 9  o 7.7136  0.2143 15.219  90.100    -0.00  -0.05  0.00   0.00   
1 1 1 20 20 10 o 15.805  0.2553 14.410  -179.9000 -0.14  0.00   0.00   0.00   
1 1 1 20 20 11 o 5.2058  0.3502 2.4175  -90.5000  0.00   0.08   0.00   0.00   
1 1 1 20 20 12 o 9.2466  0.2628 4.7088  -179.6000 -0.06  0.00   0.00   0.00   
1 1 1 20 20 13 o 9.7263  0.2407 1.1809  -91.7000  0.00   0.18   0.00   0.00   
1 1 1 20 20 14 o 35.256  0.2758 42.323  -0.0000   0.54   0.00   0.00   0.00   
1 1 1 20 20 15 o 9.7417  0.2550 10.065  90.100    -0.00  -0.18  0.00   0.00   
1 1 1 20 20 16 o 5.8566  0.3688 5.5201  -180.0000 -0.11  0.00   0.00   0.00   
1 1 1 20 20 17 o 8.0250  0.3232 8.4779  90.000    -0.00  -0.09  0.00   0.00   
1 1 1 20 20 18 o 13.867  0.2479 15.385  180.000   -0.13  0.00   0.00   0.00   
1 1 1 20 20 19 o 8.6718  0.3383 7.4625  -90.0000  0.00   0.10   0.00   0.00   
1 1 1 20 20 20 o 12.919  0.3466 11.335  0.0000    0.95   0.00   0.00   0.00   
1 1 1 20 20 21 o 5.6921  0.5284 3.7411  -90.0000  -0.00  -0.28  0.00   0.00   
1 1 1 20 20 22 o 1.0954  1.2534 3.4867  180.000   -0.07  0.00   0.00   0.00   
1 1 1 20 20 23 o 2.8461  0.9558 2.5570  90.000    -0.00  -0.01  0.00   0.00   
1 1 1 20 20 24 o 6.8044  0.7145 ?       ?         0.19   0.00   0.00   0.00   
1 1 1 20 20 25 o 6.1319  0.9257 ?       ?         -0.00  -0.05  0.00   0.00   
1 1 1 20 20 26 o 6.1806  1.4989 ?       ?         0.17   0.00   0.00   0.00   
1 1 1 21 0  1  f 115.528 0.6451 99.940  -135.0000 -0.17  -0.17  0.00   0.00   
1 1 1 21 0  2  o 50.807  0.3363 42.118  -0.0000   -0.00  0.00   0.00   0.00   
1 1 1 21 0  3  o 21.941  0.1674 7.7006  -45.1000  0.07   -0.07  0.00   0.00   
1 1 1 21 0  4  o 43.327  0.2775 39.954  89.900    0.00   0.18   0.00   0.00   
1 1 1 21 0  5  o 77.952  0.4857 89.201  -135.0000 0.16   0.16   0.00   0.00   
1 1 1 21 0  6  o 49.536  0.3189 52.528  180.000   -0.02  0.00   0.00   0.00   
1 1 1 21 0  7  o 23.881  0.1952 24.744  135.100   -0.01  0.01   0.00   0.00   
1 1 1 21 0  8  o 42.289  0.3134 35.456  89.900    0.00   0.04   0.00   0.00   
1 1 1 21 0  9  o 18.545  0.2553 22.576  -135.0000 -0.08  -0.08  0.00   0.00   
1 1 1 21 0  10 o 13.375  0.1880 9.9977  179.900   0.01   0.00   0.00   0.00   
1 1 1 21 0  11 o 40.214  0.2925 20.023  135.100   -0.25  0.25   0.00   0.00   
1 1 1 21 0  12 o 2.1448  0.6135 10.736  -89.7000  -0.00  -0.01  0.00   0.00   
1 1 1 21 0  13 o 40.192  0.3356 39.342  -135.0000 0.28   0.28   0.00   0.00   
1 1 1 21 0  14 o 22.027  0.2513 14.775  179.900   0.08   0.00   0.00   0.00   
1 1 1 21 0  15 o 15.241  0.2263 14.137  -45.1000  -0.07  0.07   0.00   0.00   
1 1 1 21 0  16 o 14.659  0.2283 22.201  -90.0000  -0.00  -0.04  0.00   0.00   
1 1 1 21 0  17 o 12.861  0.2479 12.188  45.000    -0.13  -0.13  0.00   0.00   
1 1 1 21 0  18 o 8.3487  0.3060 7.6587  180.000   -0.12  0.00   0.00   0.00   
1 1 1 21 0  19 o 5.4498  0.4635 5.7903  135.000   0.07   -0.07  0.00   0.00   
1 1 1 21 0  20 o 11.041  0.3168 9.7652  90.000    -0.00  -0.10  0.00   0.00   
1 1 1 21 0  21 o 10.766  0.3507 4.4028  -135.0000 -0.42  -0.42  0.00   0.00   
1 1 1 21 0  22 o 13.953  0.3050 13.778  180.000   -0.26  0.00   0.00   0.00   
1 1 1 21 0  23 o 14.906  0.2830 15.825  -45.0000  0.18   -0.18  0.00   0.00   
1 1 1 21 0  24 o 17.003  0.3232 16.782  -90.0000  -0.00  -0.12  0.00   0.00   
1 1 1 21 0  25 o 7.5498  0.5995 ?       ?         0.20   0.20   0.00   0.00   
1 1 1 21 0  26 o 2.6077  1.5883 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 21 1  0  o 34.977  0.2653 39.661  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 21 1  1  o 66.078  0.4705 56.275  112.400   0.51   1.03   0.08   -0.07  
1 1 1 21 1  2  o 60.969  1.3392 35.432  165.100   -25.83 -4.19  -5.69  -2.23  
1 1 1 21 1  3  o 47.585  0.2323 56.694  -53.9000  1.14   -0.62  -0.97  0.75   
1 1 1 21 1  4  o 33.639  0.1744 24.000  107.900   -0.11  0.28   -3.56  -2.65  
1 1 1 21 1  5  f 58.514  0.6094 48.643  98.300    8.52   6.80   -1.82  -4.90  
1 1 1 21 1  6  o 64.133  0.4332 69.945  27.700    -0.98  1.96   0.34   0.25   
1 1 1 21 1  7  o 8.2304  0.1533 12.401  139.400   -0.13  0.23   0.54   0.51   
1 1 1 21 1  8  o 24.738  0.3969 20.313  -25.2000  3.59   2.90   -0.15  -1.22  
1 1 1 21 1  9  o 18.773  0.3859 13.651  108.700   2.85   3.20   0.20   -1.01  
1 1 1 21 1  10 o 14.172  0.4104 18.732  0.1000    -2.74  -9.85  3.97   -2.72  
1 1 1 21 1  11 o 28.899  0.1972 16.317  -67.8000  0.13   -0.18  -0.23  -0.20  
1 1 1 21 1  12 o 7.7460  0.5824 5.9503  157.900   -3.92  0.53   -0.52  0.17   
1 1 1 21 1  13 o 28.047  0.2043 25.779  -117.8000 -1.50  -0.39  -0.48  -0.10  
1 1 1 21 1  14 o 25.043  0.1826 21.698  -58.3000  -0.20  -0.44  0.14   -0.03  
1 1 1 21 1  15 o 25.136  0.4484 26.883  174.400   -3.40  3.91   -0.10  1.41   
1 1 1 21 1  16 o 18.551  0.1706 19.893  105.600   -0.65  0.53   -1.82  0.03   
1 1 1 21 1  17 f 17.610  0.2144 15.639  -44.7000  0.11   -0.62  0.08   -0.01  
1 1 1 21 1  18 o 10.651  0.2309 12.022  -154.7000 -0.01  0.73   0.21   -0.16  
1 1 1 21 1  19 o 3.3729  0.4720 3.6178  88.000    0.48   0.31   -0.08  -0.07  
1 1 1 21 1  20 f 17.316  0.1781 17.705  167.400   -0.80  -0.07  0.05   -0.42  
1 1 1 21 1  21 o 14.361  0.3335 15.270  19.700    1.42   1.28   0.23   -0.33  
1 1 1 21 1  22 o 9.7393  0.6175 10.417  -109.7000 1.99   -3.05  0.03   0.45   
1 1 1 21 1  23 o 11.810  0.2324 10.325  -174.7000 -1.35  -0.40  -0.31  0.40   
1 1 1 21 1  24 o 6.4981  0.3606 4.1738  76.100    0.66   -0.50  -0.13  0.01   
1 1 1 21 1  25 o 4.0875  0.7251 ?       ?         -0.23  0.08   -0.00  -0.02  
1 1 1 21 1  26 o 9.0443  1.1101 ?       ?         -0.92  0.14   0.00   0.00   
1 1 1 21 2  0  o 40.840  0.3002 26.897  -180.0000 0.18   0.00   0.00   0.00   
1 1 1 21 2  1  o 36.917  0.3202 17.692  148.700   -2.02  0.66   -0.38  0.33   
1 1 1 21 2  2  o 42.109  0.1833 35.370  109.800   -1.83  0.26   -2.06  0.06   
1 1 1 21 2  3  o 47.546  0.3149 55.392  -106.7000 -0.70  0.38   -0.06  0.06   
1 1 1 21 2  4  o 117.231 0.4670 110.513 -177.5000 -1.03  -0.68  1.43   0.54   
1 1 1 21 2  5  o 57.575  0.2671 51.243  -63.7000  0.47   -0.42  -0.10  0.17   
1 1 1 21 2  6  o 42.300  0.4543 48.994  99.800    8.75   5.66   -2.54  -4.37  
1 1 1 21 2  7  o 10.602  0.1243 14.917  56.600    1.91   -0.74  -1.49  1.72   
1 1 1 21 2  8  o 46.079  0.2185 53.655  -79.1000  0.42   -0.54  0.31   0.19   
1 1 1 21 2  9  o 25.875  0.1553 30.673  18.600    0.35   1.34   1.44   -0.14  
1 1 1 21 2  10 f 8.8859  0.4313 12.299  16.800    -0.28  4.35   0.87   0.15   
1 1 1 21 2  11 o 96.701  0.4052 94.440  -103.6000 0.34   -2.79  -0.26  1.03   
1 1 1 21 2  12 o 39.032  0.4096 28.881  -123.0000 -0.58  -0.89  0.01   -0.09  
1 1 1 21 2  13 o 13.084  0.1952 4.0434  -17.9000  1.99   0.50   -0.81  -0.30  
1 1 1 21 2  14 f 19.731  0.1735 21.033  -74.8000  -0.57  -0.53  -0.19  -0.31  
1 1 1 21 2  15 o 5.2550  0.9442 5.4259  94.400    1.21   1.50   0.02   -0.08  
1 1 1 21 2  16 o 40.155  0.2182 35.608  -153.1000 -0.90  0.72   0.16   0.21   
1 1 1 21 2  17 o 9.4868  0.1872 9.7945  -47.8000  0.57   -1.13  0.18   0.63   
1 1 1 21 2  18 o 14.374  0.1625 12.748  -105.2000 -0.53  0.74   0.25   0.16   
1 1 1 21 2  19 o 24.403  0.3360 25.268  -74.3000  2.91   -1.01  -0.16  0.79   
1 1 1 21 2  20 o 11.203  0.2098 8.7291  -41.8000  -0.15  -0.13  -0.06  0.01   
1 1 1 21 2  21 o 10.674  0.4358 13.862  -0.2000   1.61   -0.77  -0.05  0.26   
1 1 1 21 2  22 o 15.318  0.1966 16.245  -96.8000  0.92   0.33   -0.17  0.12   
1 1 1 21 2  23 o 8.9472  0.4982 8.8755  -146.1000 -1.21  -0.96  -0.12  -0.11  
1 1 1 21 2  24 o 1.4455  0.8895 1.6775  -57.1000  0.04   0.00   0.00   0.00   
1 1 1 21 2  25 o 6.1377  0.6899 ?       ?         0.91   -0.07  -0.03  0.05   
1 1 1 21 2  26 o 4.1110  2.1713 ?       ?         -0.11  0.66   0.00   0.00   
1 1 1 21 3  0  o 35.565  0.2360 32.759  -180.0000 -0.01  0.00   0.00   0.00   
1 1 1 21 3  1  o 15.545  0.4956 21.409  -41.9000  3.25   -2.72  -0.11  0.69   
1 1 1 21 3  2  o 18.626  0.1101 19.774  160.400   -0.09  0.02   -0.03  0.01   
1 1 1 21 3  3  f 35.001  0.1827 29.933  -14.9000  0.27   -0.36  0.01   0.08   
1 1 1 21 3  4  o 27.751  0.1399 28.280  87.300    -0.55  -0.17  -1.01  -0.20  
1 1 1 21 3  5  o 31.260  0.2660 20.701  152.300   -2.13  -1.54  -0.41  -0.91  
1 1 1 21 3  6  o 17.716  0.2605 14.270  -145.6000 2.17   -4.75  1.72   2.22   
1 1 1 21 3  7  o 47.672  0.4879 50.380  61.600    2.72   5.39   1.41   -1.28  
1 1 1 21 3  8  o 37.337  0.5391 28.506  -104.8000 -0.92  -2.67  0.27   -0.16  
1 1 1 21 3  9  o 43.505  0.6865 35.837  157.600   -6.27  1.19   -1.01  0.23   
1 1 1 21 3  10 o 53.861  0.5992 52.922  -43.2000  -1.02  -8.67  2.45   -1.30  
1 1 1 21 3  11 o 28.950  0.1577 31.085  -100.2000 -0.32  0.09   -0.17  -0.07  
1 1 1 21 3  12 f 17.650  0.3686 18.878  -160.8000 0.01   -0.85  0.06   0.01   
1 1 1 21 3  13 o 15.428  0.4017 13.271  -15.7000  5.97   -1.57  -1.61  0.76   
1 1 1 21 3  14 o 37.438  0.2111 39.917  5.8000    2.14   -1.48  0.28   1.44   
1 1 1 21 3  15 o 35.284  0.4010 35.841  47.300    0.42   2.66   0.40   -0.32  
1 1 1 21 3  16 o 51.595  0.3057 51.661  -73.2000  1.90   -0.20  -0.31  -0.25  
1 1 1 21 3  17 o 13.449  0.1692 12.313  -143.8000 0.06   -0.06  0.03   -0.03  
1 1 1 21 3  18 o 17.870  0.1963 19.239  161.300   -2.11  1.50   0.41   1.37   
1 1 1 21 3  19 o 6.2490  0.5960 4.9936  -115.6000 1.61   -3.12  0.41   0.41   
1 1 1 21 3  20 o 13.267  0.2001 10.966  -90.3000  0.45   -0.47  0.07   0.08   
1 1 1 21 3  21 o 18.330  0.1820 18.075  152.400   0.59   -0.12  0.18   0.05   
1 1 1 21 3  22 o 7.1736  0.2869 7.4157  -116.6000 -0.48  -1.09  0.32   -0.03  
1 1 1 21 3  23 o 10.703  0.5649 11.369  111.300   2.49   0.30   -0.26  0.08   
1 1 1 21 3  24 o 5.1892  0.4747 4.8000  -168.8000 -0.06  -0.10  -0.01  0.00   
1 1 1 21 3  25 o 7.4952  0.4097 ?       ?         -0.09  -0.39  -0.01  -0.02  
1 1 1 21 3  26 o 4.4486  1.1180 ?       ?         -0.09  -0.10  0.00   0.00   
1 1 1 21 4  0  o 98.912  0.5714 93.516  180.000   0.02   0.00   0.00   0.00   
1 1 1 21 4  1  o 24.791  0.1713 28.892  -105.8000 0.34   0.07   -2.37  7.45   
1 1 1 21 4  2  o 52.050  0.6243 50.658  161.600   -2.23  0.63   -0.15  0.11   
1 1 1 21 4  3  o 64.798  0.2752 60.851  -25.4000  0.23   -1.00  1.93   -0.86  
1 1 1 21 4  4  o 32.249  0.5476 29.988  -52.0000  8.62   -1.68  -2.36  0.82   
1 1 1 21 4  5  o 23.689  0.1756 10.212  -177.2000 -0.81  0.10   -0.17  0.06   
1 1 1 21 4  6  o 42.193  0.1937 38.649  80.200    -3.42  0.64   -3.30  0.38   
1 1 1 21 4  7  o 21.904  0.1686 12.272  -76.0000  -1.95  -0.27  -3.63  0.29   
1 1 1 21 4  8  o 22.342  0.2449 16.806  112.400   -0.67  0.25   -0.06  0.04   
1 1 1 21 4  9  o 27.898  0.2684 34.095  -147.2000 -4.66  1.43   -2.03  1.98   
1 1 1 21 4  10 o 21.792  0.1576 27.072  -82.5000  0.36   -0.57  0.03   0.28   
1 1 1 21 4  11 o 59.056  0.2688 54.432  146.200   -0.25  0.55   -0.39  -0.17  
1 1 1 21 4  12 o 30.073  0.1623 32.966  -31.0000  0.11   0.21   -0.07  -0.09  
1 1 1 21 4  13 o 31.772  0.2079 35.130  -109.5000 -1.88  -0.94  -0.26  -0.85  
1 1 1 21 4  14 o 31.165  0.3913 38.269  -125.7000 0.53   -2.58  0.35   0.26   
1 1 1 21 4  15 o 36.106  0.2319 39.213  -110.4000 -2.68  -1.57  -1.69  -0.79  
1 1 1 21 4  16 o 20.348  0.1847 16.283  41.900    -0.03  -0.04  -0.00  -0.00  
1 1 1 21 4  17 o 8.4519  0.2306 6.2351  -43.5000  0.02   -0.11  0.04   -0.04  
1 1 1 21 4  18 o 23.350  0.2780 24.224  -58.2000  3.71   -0.26  -1.38  -0.69  
1 1 1 21 4  19 o 6.5204  0.2831 7.9186  114.100   0.30   0.16   -0.22  0.05   
1 1 1 21 4  20 o 19.464  0.1642 19.686  44.300    0.49   0.41   0.29   0.36   
1 1 1 21 4  21 o 7.7652  0.2917 6.6333  68.300    -0.24  0.53   -0.15  0.21   
1 1 1 21 4  22 o 2.4422  0.6404 2.2014  64.100    0.10   0.13   0.02   0.08   
1 1 1 21 4  23 o 9.0932  0.2665 11.191  127.500   -0.90  0.01   -0.00  -0.33  
1 1 1 21 4  24 o 4.7534  1.2524 4.7084  -83.2000  2.77   -0.24  -0.30  -0.05  
1 1 1 21 4  25 o 2.5987  0.9415 ?       ?         -0.22  -0.04  -0.00  0.02   
1 1 1 21 4  26 o 6.2934  1.0144 ?       ?         -0.36  0.30   0.01   -0.01  
1 1 1 21 5  0  o 45.479  0.3383 22.721  0.1000    -0.04  0.00   0.00   0.00   
1 1 1 21 5  1  o 95.447  0.4083 96.201  -57.4000  0.97   0.39   0.12   -0.75  
1 1 1 21 5  2  o 22.659  0.8066 23.923  127.100   -15.16 4.89   -3.04  2.29   
1 1 1 21 5  3  o 38.089  0.8254 21.187  -158.4000 -12.72 -3.30  -2.19  -1.34  
1 1 1 21 5  4  o 24.697  0.5511 31.875  -68.0000  6.71   -6.78  0.10   2.47   
1 1 1 21 5  5  o 32.022  0.2830 32.838  -90.2000  -3.11  -1.84  -0.88  -1.29  
1 1 1 21 5  6  o 46.411  0.3755 39.341  -66.4000  -2.12  -5.06  1.35   -1.91  
1 1 1 21 5  7  o 35.124  0.4166 30.685  -65.5000  -1.30  -4.17  0.82   -0.77  
1 1 1 21 5  8  o 27.969  0.5605 30.072  158.200   -7.46  3.51   -1.08  1.57   
1 1 1 21 5  9  o 17.125  0.1390 18.147  122.900   -0.05  -0.21  0.05   -0.07  
1 1 1 21 5  10 o 19.065  0.1706 2.1655  -146.2000 0.67   0.78   -1.11  -1.73  
1 1 1 21 5  11 f 35.316  0.1785 32.079  173.400   -0.57  0.19   -0.14  0.01   
1 1 1 21 5  12 o 72.347  0.3162 69.765  153.500   -1.31  2.30   1.18   -0.21  
1 1 1 21 5  13 o 14.996  0.3200 15.570  161.500   -2.72  -1.42  -0.37  -0.65  
1 1 1 21 5  14 o 43.904  0.3443 47.781  176.000   -2.42  2.19   0.33   0.92   
1 1 1 21 5  15 o 17.182  0.6823 14.169  -92.8000  4.93   -10.15 1.23   1.88   
1 1 1 21 5  16 o 18.594  0.2152 11.347  -14.0000  1.51   2.30   0.94   -1.00  
1 1 1 21 5  17 o 21.902  0.2215 21.985  -143.2000 -0.42  -1.80  0.61   0.04   
1 1 1 21 5  18 o 12.746  0.1698 9.2617  43.700    0.22   0.05   0.01   0.15   
1 1 1 21 5  19 o 8.5773  0.2275 8.2182  55.800    0.17   0.21   0.05   -0.03  
1 1 1 21 5  20 o 5.7157  0.3624 5.3024  -31.2000  0.98   -0.12  -0.13  -0.00  
1 1 1 21 5  21 o 11.710  0.2156 10.040  -112.4000 0.28   -0.23  0.07   0.01   
1 1 1 21 5  22 o 14.018  0.2015 13.702  -3.9000   0.35   -0.53  -0.02  -0.27  
1 1 1 21 5  23 o 8.2844  0.4058 7.7121  16.100    1.13   -0.34  -0.13  -0.01  
1 1 1 21 5  24 o 5.2800  0.5009 4.7006  -77.1000  0.20   0.09   -0.01  0.00   
1 1 1 21 5  25 o 2.4617  0.9275 ?       ?         0.35   -0.17  -0.00  -0.07  
1 1 1 21 5  26 o 12.656  0.6063 ?       ?         -0.81  -0.57  0.01   0.02   
1 1 1 21 6  0  o 22.687  0.1706 35.774  180.000   -0.08  0.00   0.00   0.00   
1 1 1 21 6  1  o 52.288  0.2360 42.848  73.900    0.54   -0.02  -0.12  0.05   
1 1 1 21 6  2  o 12.151  0.1263 21.547  25.800    0.13   -0.22  0.12   0.15   
1 1 1 21 6  3  o 54.360  0.2393 41.398  139.700   -0.86  -0.06  -0.91  -1.31  
1 1 1 21 6  4  o 27.998  0.1568 35.201  36.400    0.38   -0.03  -0.24  -0.04  
1 1 1 21 6  5  o 43.223  0.2021 38.399  -8.1000   0.34   -0.62  0.03   0.42   
1 1 1 21 6  6  o 73.741  0.6493 62.489  -154.7000 -7.99  1.74   -2.19  1.72   
1 1 1 21 6  7  o 23.725  0.3274 34.842  59.100    -4.48  3.65   -0.26  2.90   
1 1 1 21 6  8  o 18.209  0.1194 18.352  -56.7000  -0.14  -0.11  -0.33  -0.07  
1 1 1 21 6  9  o 38.621  0.1925 42.178  118.100   -0.32  0.42   -0.27  0.26   
1 1 1 21 6  10 o 16.928  0.1273 25.509  -87.5000  -0.14  0.11   0.00   0.02   
1 1 1 21 6  11 o 30.500  0.4920 35.397  60.000    -1.52  6.83   1.76   1.20   
1 1 1 21 6  12 o 31.787  0.4228 25.168  80.300    2.89   1.21   -0.57  -0.35  
1 1 1 21 6  13 o 46.009  0.2193 40.367  62.400    -0.56  -0.26  -0.19  0.29   
1 1 1 21 6  14 f 33.987  0.7508 34.226  150.600   -11.90 0.60   -2.64  -0.13  
1 1 1 21 6  15 o 25.205  0.2192 25.191  4.2000    1.45   1.60   0.42   -0.73  
1 1 1 21 6  16 o 19.737  0.1526 20.990  -176.9000 0.02   -0.12  0.02   -0.04  
1 1 1 21 6  17 o 14.094  0.1828 13.157  162.300   -0.12  0.60   0.24   -0.08  
1 1 1 21 6  18 o 10.048  0.2007 12.960  49.100    0.15   0.02   0.12   0.05   
1 1 1 21 6  19 o 11.296  0.2127 9.5834  -23.9000  -0.12  -1.08  0.49   0.40   
1 1 1 21 6  20 o 7.9040  0.2501 8.6563  53.800    -0.24  -0.01  -0.01  -0.01  
1 1 1 21 6  21 o 11.358  0.2279 11.280  94.500    -0.11  1.06   -0.02  0.53   
1 1 1 21 6  22 f 6.7045  0.3352 5.9097  -36.3000  -0.20  -0.11  0.06   -0.00  
1 1 1 21 6  23 o 13.307  0.2290 14.182  -112.9000 0.10   0.17   0.00   0.01   
1 1 1 21 6  24 o 3.9569  0.5358 4.2066  -76.2000  -0.24  -0.05  0.00   0.04   
1 1 1 21 6  25 o 16.199  0.2957 ?       ?         -0.94  -0.79  0.00   0.10   
1 1 1 21 6  26 o 6.8855  1.2567 ?       ?         0.67   -0.28  -0.02  -0.01  
1 1 1 21 7  0  o 16.529  0.1439 23.888  -179.9000 -0.00  0.00   0.00   0.00   
1 1 1 21 7  1  o 22.810  0.2757 23.736  -47.7000  3.39   0.15   -1.84  -0.03  
1 1 1 21 7  2  o 53.290  0.2405 62.647  20.300    2.28   -3.33  2.96   3.79   
1 1 1 21 7  3  o 85.016  0.3456 97.601  -98.3000  2.22   -1.69  -3.28  1.92   
1 1 1 21 7  4  o 27.357  0.1921 13.548  -33.8000  3.02   0.51   -2.24  -1.10  
1 1 1 21 7  5  o 27.965  0.6094 23.364  101.500   7.21   9.83   0.79   -2.94  
1 1 1 21 7  6  o 44.299  0.2194 52.394  4.5000    -1.15  2.56   1.50   0.98   
1 1 1 21 7  7  o 31.682  0.5383 30.044  137.500   -6.13  0.03   -1.31  -0.12  
1 1 1 21 7  8  o 7.6933  0.1348 9.9354  -15.9000  0.25   0.39   0.07   -0.26  
1 1 1 21 7  9  o 34.032  0.3799 32.988  150.200   -6.52  -4.39  -2.31  -3.51  
1 1 1 21 7  10 o 38.015  0.3137 27.040  54.900    -1.35  3.88   2.17   0.60   
1 1 1 21 7  11 o 21.826  0.1405 17.522  47.200    0.64   -0.08  -0.15  0.10   
1 1 1 21 7  12 f 30.035  0.1637 27.385  84.400    0.58   0.30   -0.44  -0.01  
1 1 1 21 7  13 o 24.859  0.4594 16.484  156.200   -7.35  -1.30  -2.45  -1.44  
1 1 1 21 7  14 o 29.859  0.1664 26.236  10.700    0.52   -0.07  -0.10  0.16   
1 1 1 21 7  15 o 19.726  0.2718 17.273  -176.3000 -1.36  -0.63  -0.19  -0.14  
1 1 1 21 7  16 o 33.427  0.1822 31.751  -50.2000  0.06   -0.55  -0.28  -0.16  
1 1 1 21 7  17 o 8.7631  0.2454 9.6453  -13.1000  -0.27  0.68   0.06   0.08   
1 1 1 21 7  18 o 5.0384  0.3185 5.7779  16.000    0.20   0.04   -0.02  -0.13  
1 1 1 21 7  19 o 11.022  0.2024 10.881  -121.7000 -0.27  0.37   -0.03  0.07   
1 1 1 21 7  20 o 10.380  0.3556 11.791  -143.5000 0.12   -0.91  0.06   0.05   
1 1 1 21 7  21 o 18.187  0.3955 17.251  -166.3000 -3.76  -0.46  -0.81  0.40   
1 1 1 21 7  22 o 2.4044  1.0995 2.2219  -34.2000  -0.18  -0.31  0.00   -0.04  
1 1 1 21 7  23 o 5.3115  0.4666 3.9086  -78.0000  0.02   -0.24  0.00   0.01   
1 1 1 21 7  24 o 6.0186  0.4338 5.4601  -166.6000 0.45   0.48   -0.12  -0.00  
1 1 1 21 7  25 o 5.6283  0.5792 ?       ?         0.24   -0.21  0.01   -0.01  
1 1 1 21 7  26 o 7.4297  0.8573 ?       ?         -0.19  0.36   -0.00  0.00   
1 1 1 21 8  0  o 5.9245  0.1722 3.6074  -179.8000 -0.00  0.00   0.00   0.00   
1 1 1 21 8  1  o 62.081  0.3654 72.754  7.1000    2.59   -0.74  -0.61  0.62   
1 1 1 21 8  2  o 65.533  0.2790 71.119  -62.8000  2.98   -0.08  -2.93  -1.17  
1 1 1 21 8  3  o 24.725  0.1476 12.614  -62.0000  -0.92  0.04   -1.06  0.35   
1 1 1 21 8  4  o 62.122  0.3271 49.058  125.900   -2.79  0.41   -1.13  0.04   
1 1 1 21 8  5  o 27.932  0.2619 23.989  164.700   -3.97  1.78   -1.22  1.68   
1 1 1 21 8  6  o 19.845  0.3782 14.542  -141.1000 6.06   -6.25  -0.24  4.80   
1 1 1 21 8  7  o 18.263  0.1428 13.554  82.000    0.54   0.60   0.23   -0.55  
1 1 1 21 8  8  o 33.906  0.1798 44.136  2.4000    0.01   0.81   0.47   0.33   
1 1 1 21 8  9  o 7.5444  0.1554 5.9960  -126.3000 0.75   -0.31  -0.52  0.74   
1 1 1 21 8  10 o 24.203  0.4351 21.786  -56.1000  2.79   -2.88  0.16   0.89   
1 1 1 21 8  11 o 37.245  0.7360 29.823  29.600    7.37   1.07   -1.07  -0.17  
1 1 1 21 8  12 o 46.334  0.2545 52.224  78.900    -1.06  0.86   0.11   0.30   
1 1 1 21 8  13 o 25.253  0.1584 21.304  -127.3000 -0.15  0.30   -0.37  0.17   
1 1 1 21 8  14 o 33.215  0.1847 31.455  97.500    -1.19  0.94   -0.42  0.44   
1 1 1 21 8  15 o 22.748  0.1710 23.130  27.000    -0.21  -0.12  0.19   -0.03  
1 1 1 21 8  16 o 8.1375  0.2061 5.2833  70.800    0.89   0.98   0.42   -0.84  
1 1 1 21 8  17 o 5.3057  0.8077 3.1823  176.400   0.16   -3.57  0.36   0.00   
1 1 1 21 8  18 o 12.960  0.2871 12.266  174.500   -1.38  -0.49  -0.11  -0.26  
1 1 1 21 8  19 o 4.8458  1.2598 7.0278  -75.5000  5.15   3.34   -0.27  -0.80  
1 1 1 21 8  20 o 15.692  0.3186 16.717  119.900   -0.17  2.95   0.72   -0.32  
1 1 1 21 8  21 o 11.726  0.3666 11.642  129.900   -1.74  1.51   0.16   0.40   
1 1 1 21 8  22 o 10.166  0.2580 8.6977  -56.0000  -0.86  -0.49  -0.42  0.41   
1 1 1 21 8  23 o 9.7028  0.2634 8.6366  136.900   0.12   0.29   -0.04  -0.00  
1 1 1 21 8  24 o 5.5744  0.4640 6.1269  -84.4000  -0.16  -0.17  -0.01  -0.00  
1 1 1 21 8  25 o 8.6607  0.7144 ?       ?         -0.80  0.01   -0.00  -0.04  
1 1 1 21 8  26 o 7.3036  1.0104 ?       ?         -0.34  -1.20  -0.06  -0.03  
1 1 1 21 9  0  o 21.368  0.2383 0.6359  180.000   -0.09  0.00   0.00   0.00   
1 1 1 21 9  1  o 77.834  0.3169 62.199  -85.8000  -0.14  -0.01  -0.01  0.02   
1 1 1 21 9  2  o 10.994  0.4704 16.445  -73.7000  -10.82 5.63   -3.03  4.18   
1 1 1 21 9  3  o 16.396  0.1461 23.578  -10.6000  -2.11  2.58   1.34   4.54   
1 1 1 21 9  4  o 28.134  0.3691 28.988  178.200   -1.99  0.61   -0.20  0.12   
1 1 1 21 9  5  o 48.846  0.2160 48.877  115.400   0.92   1.69   0.25   -1.93  
1 1 1 21 9  6  o 36.993  0.1942 41.229  40.900    -0.40  0.77   0.01   0.58   
1 1 1 21 9  7  o 34.242  0.1688 48.898  -154.3000 -0.54  0.03   -0.15  0.10   
1 1 1 21 9  8  o 18.158  0.5060 23.598  165.500   -7.64  3.10   -1.83  1.56   
1 1 1 21 9  9  o 14.028  0.2245 18.730  -132.7000 -0.86  1.49   0.19   0.43   
1 1 1 21 9  10 o 43.190  0.2257 41.670  -161.1000 -1.55  0.22   0.69   2.74   
1 1 1 21 9  11 o 12.307  0.2953 14.946  -24.3000  1.91   -3.60  0.78   1.40   
1 1 1 21 9  12 o 49.643  0.5999 46.565  -43.2000  9.03   0.63   -2.49  -1.06  
1 1 1 21 9  13 o 23.962  0.5303 26.483  154.200   -2.95  1.33   -0.21  0.31   
1 1 1 21 9  14 o 15.235  0.1491 12.856  175.400   -0.17  0.05   0.19   -0.32  
1 1 1 21 9  15 o 8.2475  0.1856 9.2377  92.800    -0.28  0.87   0.74   1.65   
1 1 1 21 9  16 o 10.106  0.1730 13.115  69.000    0.41   0.18   -0.22  -0.04  
1 1 1 21 9  17 o 31.994  0.4615 33.826  -24.4000  3.91   2.00   -0.14  -0.74  
1 1 1 21 9  18 o 5.9119  0.2902 4.5466  -176.5000 0.19   -0.23  -0.03  -0.58  
1 1 1 21 9  19 o 8.8990  0.2344 9.8391  125.800   -0.06  0.31   -0.09  0.17   
1 1 1 21 9  20 f 8.4644  0.2518 10.834  120.200   0.08   0.87   0.19   -0.26  
1 1 1 21 9  21 o 11.660  0.2201 9.3929  46.700    0.20   -0.02  0.01   0.02   
1 1 1 21 9  22 o 4.8279  0.4087 4.5435  -11.8000  0.22   0.08   0.07   -0.00  
1 1 1 21 9  23 o 7.7177  0.3662 7.3808  105.900   -0.94  0.87   0.17   0.14   
1 1 1 21 9  24 o 5.8079  0.4487 5.0018  -145.9000 -0.72  -0.69  -0.28  0.17   
1 1 1 21 9  25 o 9.0933  0.4307 ?       ?         -0.64  1.53   0.04   -0.27  
1 1 1 21 9  26 o 11.621  0.5706 ?       ?         -0.32  0.24   0.00   -0.01  
1 1 1 21 10 0  o 115.966 0.6500 117.747 0.0000    0.13   0.00   0.00   0.00   
1 1 1 21 10 1  f 78.198  0.5280 80.468  173.400   -3.19  2.38   -0.05  1.05   
1 1 1 21 10 2  o 81.112  0.3527 69.720  -84.7000  -0.47  -0.37  -0.24  1.19   
1 1 1 21 10 3  o 89.271  0.9059 82.989  -97.4000  -4.16  -7.43  0.69   -1.89  
1 1 1 21 10 4  o 49.836  0.2946 42.665  -79.6000  3.79   -2.39  -1.63  2.01   
1 1 1 21 10 5  f 18.918  0.1480 24.531  22.800    -0.07  -0.54  0.19   -0.09  
1 1 1 21 10 6  o 31.848  0.6885 26.298  32.500    11.02  1.33   -3.04  -0.44  
1 1 1 21 10 7  o 46.586  0.8145 40.821  -6.0000   10.06  6.66   -1.68  -2.63  
1 1 1 21 10 8  o 36.561  1.3065 38.425  171.900   -30.25 2.95   -5.56  0.71   
1 1 1 21 10 9  o 27.535  0.1719 33.386  75.100    -1.20  0.23   -0.42  0.03   
1 1 1 21 10 10 o 38.016  0.2157 41.316  -39.1000  2.61   1.41   -0.20  -1.93  
1 1 1 21 10 11 o 33.405  0.4289 34.120  -162.2000 -1.83  -0.59  -0.24  -0.09  
1 1 1 21 10 12 o 13.508  0.1767 8.3062  94.300    1.40   -0.56  -0.47  0.32   
1 1 1 21 10 13 o 39.742  0.1968 37.160  31.600    0.65   0.34   0.20   1.03   
1 1 1 21 10 14 o 9.5927  0.1605 9.7235  -92.6000  0.63   0.14   -0.13  -0.10  
1 1 1 21 10 15 o 33.953  0.1872 33.521  -27.4000  0.70   -0.58  -0.16  0.12   
1 1 1 21 10 16 o 37.210  0.6416 38.030  7.5000    8.64   0.11   -1.87  -0.77  
1 1 1 21 10 17 o 8.1548  0.2484 10.988  -110.1000 -0.21  -0.15  0.22   0.52   
1 1 1 21 10 18 o 5.8384  0.4835 3.1377  23.800    1.38   0.89   -0.13  -0.17  
1 1 1 21 10 19 o 25.907  0.2014 22.302  -134.9000 0.48   0.33   0.10   0.12   
1 1 1 21 10 20 o 5.6304  0.3267 4.1724  155.600   -0.38  -0.12  0.03   -0.20  
1 1 1 21 10 21 o 14.500  0.1892 15.561  19.300    -0.21  -0.45  0.08   0.08   
1 1 1 21 10 22 o 19.570  0.3982 20.054  -120.1000 1.01   -3.24  -0.10  0.71   
1 1 1 21 10 23 o 10.416  0.3326 9.7659  -104.1000 -1.04  -1.90  -0.19  -0.47  
1 1 1 21 10 24 o 13.544  0.2610 13.998  77.600    -0.14  0.16   -0.01  -0.00  
1 1 1 21 10 25 o 7.1501  0.6196 ?       ?         -0.20  -0.03  0.00   0.00   
1 1 1 21 10 26 o 4.0017  1.2917 ?       ?         0.18   -0.12  0.00   -0.00  
1 1 1 21 11 0  o 52.379  0.3310 27.167  180.000   -0.18  0.00   0.00   0.00   
1 1 1 21 11 1  o 84.740  0.3485 82.326  -13.3000  1.60   0.44   -0.27  -1.59  
1 1 1 21 11 2  o 78.624  1.0178 71.295  155.000   -4.14  4.42   0.16   0.73   
1 1 1 21 11 3  o 32.232  0.1619 22.844  107.700   -0.72  0.75   -0.07  0.39   
1 1 1 21 11 4  o 61.504  0.2650 58.767  -66.9000  2.27   -0.73  -1.45  0.25   
1 1 1 21 11 5  f 45.899  0.7823 37.417  173.600   -9.53  -1.43  -1.71  -0.78  
1 1 1 21 11 6  o 49.988  0.2405 63.449  170.500   -0.48  0.29   0.99   -0.19  
1 1 1 21 11 7  o 12.184  0.4934 1.6083  89.600    3.02   -2.34  -0.13  0.44   
1 1 1 21 11 8  o 57.570  0.3235 64.359  -65.1000  1.49   -1.54  0.31   0.47   
1 1 1 21 11 9  o 29.476  0.1827 26.103  -44.7000  -0.07  0.31   -0.51  -0.30  
1 1 1 21 11 10 o 29.220  0.3401 37.613  18.500    3.98   -2.01  -0.67  1.48   
1 1 1 21 11 11 o 16.503  0.1399 24.192  -53.8000  0.17   0.02   -0.04  -0.08  
1 1 1 21 11 12 o 17.741  0.1907 17.252  11.600    -0.41  0.50   0.00   0.10   
1 1 1 21 11 13 o 18.793  0.1877 15.621  -103.7000 -1.80  -0.37  -2.71  0.44   
1 1 1 21 11 14 o 24.818  0.1498 25.762  -71.3000  0.31   -0.64  -2.14  -0.74  
1 1 1 21 11 15 o 16.747  0.1596 21.338  48.000    -0.08  0.29   -0.37  -0.56  
1 1 1 21 11 16 o 8.7958  0.1995 11.977  -67.5000  -0.06  0.11   0.01   0.00   
1 1 1 21 11 17 o 12.310  0.1681 16.792  53.200    0.19   -0.00  0.08   0.14   
1 1 1 21 11 18 o 4.8362  0.3173 3.0341  158.900   0.02   0.46   0.05   -0.02  
1 1 1 21 11 19 o 16.390  0.1904 13.319  -91.3000  -0.74  1.02   -0.35  0.37   
1 1 1 21 11 20 f 5.7703  0.3128 6.9426  -142.1000 0.04   0.21   -0.10  -0.11  
1 1 1 21 11 21 o 6.2002  0.3218 7.1535  -45.4000  0.04   0.09   -0.00  -0.00  
1 1 1 21 11 22 o 15.312  0.2031 16.888  92.900    -0.50  0.28   0.08   -0.08  
1 1 1 21 11 23 o 10.902  0.2521 10.120  -39.8000  -0.32  0.34   0.03   -0.07  
1 1 1 21 11 24 o 10.388  0.3015 11.386  157.600   -0.75  -0.20  0.14   0.10   
1 1 1 21 11 25 o 5.0239  0.7350 ?       ?         0.08   0.01   0.00   -0.00  
1 1 1 21 11 26 o 8.7104  0.9534 ?       ?         1.02   -0.34  0.01   -0.02  
1 1 1 21 12 0  o 15.492  0.1818 13.647  -0.2000   -0.03  0.00   0.00   0.00   
1 1 1 21 12 1  o 47.119  1.2575 35.604  45.000    30.69  -9.94  -5.40  4.34   
1 1 1 21 12 2  o 30.076  0.1820 28.460  -120.1000 -1.51  0.01   -3.07  -1.39  
1 1 1 21 12 3  o 38.753  0.9284 43.106  40.600    18.54  19.48  0.72   -7.44  
1 1 1 21 12 4  o 34.588  0.1959 38.214  125.200   -0.41  -0.35  -0.23  -0.30  
1 1 1 21 12 5  o 6.9268  0.1358 9.1892  -18.6000  0.25   -0.97  0.41   0.19   
1 1 1 21 12 6  o 18.726  0.4364 21.204  165.300   -2.58  2.11   -0.12  0.46   
1 1 1 21 12 7  o 40.873  0.3302 45.057  132.300   -1.52  0.55   -0.23  0.10   
1 1 1 21 12 8  o 52.406  0.4129 58.181  137.100   -2.71  -0.18  -0.46  -0.25  
1 1 1 21 12 9  f 27.837  0.2840 16.444  -28.7000  1.33   -2.71  0.46   1.18   
1 1 1 21 12 10 o 32.984  0.1965 35.042  143.700   -0.58  0.58   -0.07  0.15   
1 1 1 21 12 11 o 13.848  0.4666 6.9331  -59.9000  1.20   -7.36  2.50   1.09   
1 1 1 21 12 12 o 33.056  0.1690 38.032  25.400    -0.17  0.05   -0.01  0.00   
1 1 1 21 12 13 o 36.812  0.2032 36.440  29.400    0.57   1.11   0.99   0.10   
1 1 1 21 12 14 o 11.372  0.1612 16.525  -72.3000  1.03   -0.60  -1.10  0.79   
1 1 1 21 12 15 o 23.628  0.1677 25.365  -17.1000  0.72   -1.73  0.81   0.25   
1 1 1 21 12 16 o 17.386  0.1519 17.410  -103.4000 -0.87  -0.11  -0.48  0.38   
1 1 1 21 12 17 o 13.773  0.2410 12.899  93.200    0.77   2.01   0.28   -0.67  
1 1 1 21 12 18 o 9.4691  0.2686 4.5863  12.400    2.04   -0.70  -0.82  0.17   
1 1 1 21 12 19 o 7.4275  0.2835 7.5632  135.600   0.15   -0.02  -0.00  0.03   
1 1 1 21 12 20 o 3.3892  0.5072 3.9735  146.000   -0.05  0.12   0.00   0.01   
1 1 1 21 12 21 f 4.2127  0.4393 5.4217  -54.2000  0.01   0.13   0.01   0.01   
1 1 1 21 12 22 o 8.0097  0.2772 8.0731  -14.2000  0.38   -0.20  0.09   0.04   
1 1 1 21 12 23 o 6.0449  0.4232 5.7997  18.500    0.03   -0.02  0.00   -0.00  
1 1 1 21 12 24 o 4.2151  0.5908 3.0746  -78.6000  -0.08  -0.14  -0.01  -0.00  
1 1 1 21 12 25 o 13.592  0.6914 ?       ?         -0.23  0.72   -0.01  0.01   
1 1 1 21 12 26 o 7.9864  1.4372 ?       ?         -1.18  0.55   -0.02  -0.03  
1 1 1 21 13 0  o 15.043  0.2033 2.4160  0.2000    0.03   0.00   0.00   0.00   
1 1 1 21 13 1  o 28.970  0.2922 27.625  73.800    1.30   1.56   0.11   -0.38  
1 1 1 21 13 2  o 62.520  0.3784 50.310  -133.9000 -3.47  4.55   1.67   2.66   
1 1 1 21 13 3  o 75.132  0.3128 75.319  69.600    0.78   0.51   -1.06  1.27   
1 1 1 21 13 4  o 20.809  0.1985 18.336  160.100   -1.12  0.26   -0.26  0.08   
1 1 1 21 13 5  o 27.454  0.6121 29.578  -6.7000   4.22   2.18   -0.28  -0.46  
1 1 1 21 13 6  o 4.4449  0.1782 4.3302  54.100    -0.50  2.68   2.05   0.91   
1 1 1 21 13 7  f 8.9906  0.1446 6.6675  -39.1000  0.46   -0.33  -0.04  0.39   
1 1 1 21 13 8  o 12.427  0.1430 16.946  47.300    0.15   -0.23  -0.48  0.86   
1 1 1 21 13 9  o 24.676  0.2580 17.699  -89.3000  0.24   -1.10  0.19   0.03   
1 1 1 21 13 10 o 9.0505  0.1614 16.281  -21.0000  0.74   -1.75  0.98   0.77   
1 1 1 21 13 11 o 34.885  0.2152 34.715  111.000   0.22   -0.35  -0.54  -0.25  
1 1 1 21 13 12 o 13.124  0.1593 12.264  142.400   0.01   0.42   0.10   -0.04  
1 1 1 21 13 13 o 23.714  0.3919 30.063  62.000    -0.36  2.96   0.49   0.03   
1 1 1 21 13 14 o 43.277  0.3469 47.716  -162.9000 -0.85  -2.72  0.68   -0.00  
1 1 1 21 13 15 o 10.422  0.1713 13.602  109.600   -0.00  1.56   0.75   -0.20  
1 1 1 21 13 16 o 10.369  0.1754 13.532  -10.1000  0.00   0.16   -0.07  0.15   
1 1 1 21 13 17 o 10.395  0.3222 12.490  -76.3000  0.25   -1.98  0.33   0.19   
1 1 1 21 13 18 o 17.508  0.2565 17.941  -174.1000 0.08   -0.55  0.04   -0.01  
1 1 1 21 13 19 o 8.4504  0.2816 5.9421  20.200    -0.85  -0.53  -0.00  -0.16  
1 1 1 21 13 20 o 11.406  0.4414 11.767  -43.0000  0.59   0.15   -0.01  -0.02  
1 1 1 21 13 21 o 11.208  0.2156 9.4667  4.6000    0.05   1.00   0.13   0.26   
1 1 1 21 13 22 o 6.3832  0.3355 6.6360  63.800    -0.18  -0.66  0.08   0.03   
1 1 1 21 13 23 o 6.6367  0.4031 5.2835  175.800   0.49   0.08   0.10   -0.05  
1 1 1 21 13 24 o 9.4890  0.3401 8.7000  -105.7000 0.30   -0.58  -0.08  -0.07  
1 1 1 21 13 25 o 3.3142  1.0514 ?       ?         0.29   -0.19  0.00   -0.03  
1 1 1 21 13 26 o 6.2977  1.1165 ?       ?         0.37   0.01   0.00   -0.00  
1 1 1 21 14 0  o 13.561  0.1855 7.8736  -0.2000   -0.09  0.00   0.00   0.00   
1 1 1 21 14 1  o 13.292  0.1556 26.369  133.400   -0.95  0.23   -1.96  0.51   
1 1 1 21 14 2  o 46.075  0.8944 51.386  170.400   -17.21 6.35   -3.49  2.59   
1 1 1 21 14 3  o 57.435  0.2468 50.952  145.100   -0.99  -1.31  1.32   -0.52  
1 1 1 21 14 4  o 37.594  0.2274 39.486  124.000   1.73   2.29   1.04   -1.46  
1 1 1 21 14 5  o 64.487  0.5570 50.783  -93.5000  2.25   -2.51  -0.14  0.52   
1 1 1 21 14 6  o 37.950  0.2115 28.512  62.200    0.17   -0.45  -0.30  0.47   
1 1 1 21 14 7  o 27.666  0.3947 28.733  -52.9000  -1.31  0.04   -0.10  -0.01  
1 1 1 21 14 8  o 29.822  0.2513 35.756  -42.9000  0.89   -1.22  0.25   0.31   
1 1 1 21 14 9  o 9.4089  0.1348 9.8877  -116.6000 -0.63  0.31   -0.18  0.39   
1 1 1 21 14 10 o 10.014  0.2296 14.921  17.500    0.40   1.60   0.42   -0.30  
1 1 1 21 14 11 o 44.416  0.2093 45.845  13.300    3.05   2.38   1.81   -3.85  
1 1 1 21 14 12 o 26.851  0.1772 23.506  179.100   -0.87  1.13   0.46   0.46   
1 1 1 21 14 13 o 16.073  0.2547 11.054  -14.6000  2.70   -2.59  -0.44  1.87   
1 1 1 21 14 14 o 22.508  0.1519 23.370  117.700   0.17   0.00   -0.01  -0.02  
1 1 1 21 14 15 o 20.375  0.1515 19.312  36.500    0.18   0.28   -0.01  -0.04  
1 1 1 21 14 16 o 1.4022  0.6749 1.9234  37.000    -0.03  0.03   -0.03  0.01   
1 1 1 21 14 17 o 9.6915  0.4214 9.3812  89.800    -2.92  -1.90  -0.15  -0.69  
1 1 1 21 14 18 o 6.5050  0.3397 7.2999  -19.5000  1.76   0.44   -0.29  -0.28  
1 1 1 21 14 19 o 17.302  0.3731 17.762  123.300   1.76   4.62   0.58   -1.33  
1 1 1 21 14 20 o 9.0313  0.2333 7.5048  -67.2000  -0.05  0.48   0.03   0.06   
1 1 1 21 14 21 o 9.4572  0.4555 10.150  -73.1000  0.48   -2.89  0.47   -0.06  
1 1 1 21 14 22 o 14.200  0.2163 13.163  99.300    0.13   -0.11  0.01   -0.01  
1 1 1 21 14 23 f 6.1213  0.4246 3.1444  -109.1000 0.07   0.24   -0.01  -0.01  
1 1 1 21 14 24 o 5.0462  0.5691 6.0336  -89.1000  -0.82  0.17   -0.02  0.06   
1 1 1 21 14 25 o 6.4249  0.6706 ?       ?         0.33   0.22   0.00   0.01   
1 1 1 21 14 26 o 14.379  0.6745 ?       ?         -0.17  0.40   -0.00  0.00   
1 1 1 21 15 0  o 37.945  0.3124 45.047  180.000   -0.10  0.00   0.00   0.00   
1 1 1 21 15 1  f 48.195  0.3046 33.361  95.000    -2.19  -1.01  -0.77  -0.38  
1 1 1 21 15 2  o 53.156  0.6739 50.304  -7.7000   3.33   -6.88  1.45   1.19   
1 1 1 21 15 3  o 16.651  0.1807 26.312  -70.8000  -0.19  -0.40  0.02   -0.04  
1 1 1 21 15 4  o 50.157  0.5806 40.124  -2.1000   3.55   3.78   0.25   -0.96  
1 1 1 21 15 5  o 34.684  0.1702 32.105  61.600    -0.55  0.39   -0.22  0.17   
1 1 1 21 15 6  o 19.456  0.8701 23.871  -32.5000  7.57   -22.65 4.76   3.89   
1 1 1 21 15 7  o 63.458  0.5008 65.667  -54.3000  6.45   -2.65  -0.90  2.87   
1 1 1 21 15 8  o 29.867  0.3850 31.924  -122.6000 0.47   -1.73  0.17   0.16   
1 1 1 21 15 9  o 33.130  0.4890 30.637  -98.1000  -6.19  -7.23  -0.08  -3.61  
1 1 1 21 15 10 o 20.181  0.1450 18.548  153.400   -0.21  0.12   0.00   0.05   
1 1 1 21 15 11 o 28.757  0.6322 22.142  -47.9000  5.00   -2.54  -0.56  0.58   
1 1 1 21 15 12 f 10.885  0.4568 12.945  -172.2000 -3.04  -4.27  0.65   -1.41  
1 1 1 21 15 13 o 16.043  0.1438 16.587  41.100    1.32   0.21   -0.89  0.10   
1 1 1 21 15 14 o 15.746  0.2176 15.469  17.500    2.61   -0.54  -0.91  0.72   
1 1 1 21 15 15 o 6.2855  0.3862 9.2832  -148.0000 -1.17  -2.02  0.30   -0.40  
1 1 1 21 15 16 o 10.777  0.1832 9.8317  -109.8000 0.45   0.27   1.19   -0.16  
1 1 1 21 15 17 o 9.6950  0.3625 9.2192  165.400   -2.95  -2.10  0.00   -1.19  
1 1 1 21 15 18 o 9.9989  0.2103 9.3432  10.300    -0.17  -0.30  0.11   0.01   
1 1 1 21 15 19 o 10.849  0.2039 11.182  -174.6000 -1.09  0.13   -0.26  0.54   
1 1 1 21 15 20 o 11.375  0.4490 12.148  83.100    -0.45  -0.76  0.04   -0.03  
1 1 1 21 15 21 o 15.133  0.3792 15.258  -65.8000  -3.55  -2.08  -0.87  -0.38  
1 1 1 21 15 22 o 18.208  0.2078 18.597  -174.5000 -0.63  -0.59  -0.10  0.05   
1 1 1 21 15 23 o 5.7360  0.4245 6.3164  115.400   0.20   0.57   0.06   0.06   
1 1 1 21 15 24 f 8.1556  0.3610 ?       ?         0.96   0.59   -0.17  0.16   
1 1 1 21 15 25 o 7.3275  0.7215 ?       ?         0.69   -0.85  -0.02  -0.04  
1 1 1 21 15 26 o 1.2025  1.4813 ?       ?         -0.03  -0.04  0.00   0.00   
1 1 1 21 16 0  o 80.716  0.5568 77.350  180.000   0.72   0.00   0.00   0.00   
1 1 1 21 16 1  o 14.658  0.9013 17.969  84.900    6.97   23.77  4.89   -2.98  
1 1 1 21 16 2  o 44.489  0.2293 45.552  99.500    0.36   0.06   -0.04  -0.06  
1 1 1 21 16 3  o 16.320  0.6563 10.040  -68.4000  11.69  -0.73  -2.28  0.36   
1 1 1 21 16 4  f 12.233  0.1170 15.010  -22.1000  -0.77  -1.45  3.88   -3.08  
1 1 1 21 16 5  o 11.758  0.1187 7.7666  -145.0000 -0.15  -0.33  0.56   -0.22  
1 1 1 21 16 6  o 22.320  0.1306 21.445  -84.5000  2.03   -1.07  -1.67  1.35   
1 1 1 21 16 7  o 25.763  0.8309 22.192  34.600    9.84   7.35   -0.46  -2.29  
1 1 1 21 16 8  o 19.919  0.2790 9.0303  -20.4000  2.64   -1.49  -0.85  0.91   
1 1 1 21 16 9  o 25.738  0.4971 21.156  -141.7000 -0.81  -11.90 5.19   -0.04  
1 1 1 21 16 10 o 19.213  0.1782 23.631  122.000   -0.16  -0.28  0.01   -0.05  
1 1 1 21 16 11 o 40.888  0.2006 39.862  93.700    0.17   -0.08  0.05   -0.01  
1 1 1 21 16 12 o 14.775  0.3184 18.222  -49.7000  -0.99  -3.15  0.64   -0.59  
1 1 1 21 16 13 o 34.646  0.4509 36.081  48.600    2.24   4.09   0.84   -0.68  
1 1 1 21 16 14 o 17.108  0.4802 18.251  -1.8000   9.28   0.92   -2.51  -0.18  
1 1 1 21 16 15 o 22.396  0.3059 16.276  3.0000    1.56   0.06   -0.22  0.07   
1 1 1 21 16 16 o 19.109  0.4142 16.952  -155.3000 -4.53  -1.08  -0.66  -0.59  
1 1 1 21 16 17 o 11.823  0.1830 10.640  -84.4000  0.56   0.05   -0.03  0.41   
1 1 1 21 16 18 o 8.6820  0.2152 11.415  79.900    -0.11  -0.31  -0.00  -0.07  
1 1 1 21 16 19 o 11.389  0.2020 10.516  -139.6000 -0.32  0.21   0.03   0.05   
1 1 1 21 16 20 f 4.3474  0.3772 5.4766  20.900    -0.13  -0.00  0.05   0.00   
1 1 1 21 16 21 o 8.1459  0.2822 5.9149  39.800    -0.69  0.01   -0.06  -0.05  
1 1 1 21 16 22 o 3.0626  0.5871 3.6464  -175.9000 -0.10  0.04   0.01   0.00   
1 1 1 21 16 23 o 8.1642  0.3364 8.7649  32.900    -0.20  0.81   0.06   -0.09  
1 1 1 21 16 24 o 5.4187  0.5895 ?       ?         -0.53  -0.50  -0.05  0.01   
1 1 1 21 16 25 o 4.0279  1.6297 ?       ?         -0.03  0.45   -0.00  0.02   
1 1 1 21 16 26 o 8.8251  0.9711 ?       ?         0.03   -0.47  -0.00  -0.00  
1 1 1 21 17 0  o 38.528  0.5426 29.168  -0.0000   -0.16  0.00   0.00   0.00   
1 1 1 21 17 1  o 37.751  0.2291 43.064  145.900   -0.54  2.00   0.87   0.17   
1 1 1 21 17 2  o 34.504  1.6874 30.156  3.7000    37.15  -30.54 -1.39  9.12   
1 1 1 21 17 3  o 32.621  0.1508 24.741  -139.0000 -0.20  0.38   0.36   -0.00  
1 1 1 21 17 4  o 18.932  0.5982 11.703  -149.6000 -13.14 -3.06  -3.06  -1.69  
1 1 1 21 17 5  o 27.305  0.4558 33.507  -95.8000  2.45   -4.65  0.74   0.83   
1 1 1 21 17 6  o 24.637  0.5504 26.628  165.900   -5.67  14.46  4.59   3.60   
1 1 1 21 17 7  o 22.672  0.4379 20.892  27.100    6.42   2.82   -1.99  -1.63  
1 1 1 21 17 8  f 15.436  0.3362 6.6557  1.2000    1.74   3.72   0.84   -0.83  
1 1 1 21 17 9  o 45.000  0.2164 37.258  -128.8000 0.18   -0.61  -0.49  0.19   
1 1 1 21 17 10 o 31.521  0.1727 31.367  -120.8000 1.62   -0.45  -0.97  0.04   
1 1 1 21 17 11 o 25.121  0.1509 23.859  -60.2000  -0.29  -0.85  0.12   -0.30  
1 1 1 21 17 12 o 18.479  0.2753 14.316  -122.4000 -3.27  1.03   -0.97  1.06   
1 1 1 21 17 13 o 8.2103  0.1967 6.8711  -55.2000  0.41   1.37   0.64   -0.75  
1 1 1 21 17 14 o 25.084  0.4869 21.941  43.200    2.40   6.52   1.00   -1.36  
1 1 1 21 17 15 f 11.286  0.4654 12.127  86.600    1.71   2.91   0.29   -0.38  
1 1 1 21 17 16 o 12.651  0.1624 14.510  19.200    0.11   0.51   0.17   0.05   
1 1 1 21 17 17 o 8.7906  0.2279 4.8921  -170.5000 0.40   0.89   0.84   0.21   
1 1 1 21 17 18 o 8.8455  0.2265 9.8081  -40.7000  0.29   -0.10  0.04   0.10   
1 1 1 21 17 19 o 5.7964  0.5787 5.6952  73.000    -1.44  1.06   -0.09  0.16   
1 1 1 21 17 20 o 10.150  0.2238 7.8036  -115.3000 0.17   -0.51  -0.30  0.01   
1 1 1 21 17 21 o 13.229  0.2860 13.777  6.4000    2.09   -0.59  -0.46  -0.31  
1 1 1 21 17 22 o 16.698  0.2526 17.527  -53.6000  1.07   -2.62  0.57   -0.58  
1 1 1 21 17 23 o 8.3258  0.3726 9.6125  151.200   -0.31  0.85   0.07   -0.07  
1 1 1 21 17 24 f 5.8018  0.5592 ?       ?         -0.06  -0.26  -0.00  0.01   
1 1 1 21 17 25 o 7.6930  0.7036 ?       ?         -0.54  0.29   0.01   0.00   
1 1 1 21 17 26 o 6.2566  1.0673 ?       ?         -0.74  -0.40  0.02   -0.01  
1 1 1 21 18 0  o 74.766  0.6412 47.663  -0.0000   -0.21  0.00   0.00   0.00   
1 1 1 21 18 1  o 51.258  0.3780 52.472  147.800   -1.67  1.18   0.15   0.53   
1 1 1 21 18 2  o 22.081  0.1504 22.201  42.300    0.03   0.12   -0.14  -0.12  
1 1 1 21 18 3  o 31.722  0.1769 39.843  103.300   -0.04  -0.11  -0.08  -0.02  
1 1 1 21 18 4  o 34.064  0.4281 34.734  73.900    5.12   3.11   -1.04  -1.35  
1 1 1 21 18 5  o 7.8340  0.3438 7.3668  38.400    -1.94  3.58   0.54   0.76   
1 1 1 21 18 6  o 45.697  0.6570 47.757  -94.0000  2.20   -2.43  -0.06  0.33   
1 1 1 21 18 7  o 20.625  0.1834 28.478  158.200   -0.42  -0.27  -0.01  -0.07  
1 1 1 21 18 8  o 28.960  0.3894 23.218  -23.4000  1.22   -0.59  -0.08  0.07   
1 1 1 21 18 9  o 22.484  0.4086 21.986  117.600   -3.70  1.21   -0.85  0.42   
1 1 1 21 18 10 o 16.907  0.3341 14.697  97.100    2.74   4.37   0.93   -1.47  
1 1 1 21 18 11 o 15.089  0.3313 10.403  13.300    3.39   3.88   -0.03  -2.21  
1 1 1 21 18 12 o 36.706  0.7991 38.846  91.700    -0.01  7.54   0.89   0.18   
1 1 1 21 18 13 o 7.5664  0.3046 6.1506  -143.7000 0.74   -0.73  0.01   0.11   
1 1 1 21 18 14 o 22.745  0.3178 23.007  -103.0000 -0.07  -0.73  0.05   0.01   
1 1 1 21 18 15 o 23.773  0.5030 23.290  -134.4000 -5.65  -3.12  -1.03  -0.93  
1 1 1 21 18 16 o 12.895  0.2098 9.8013  115.000   -1.17  0.00   -0.23  0.12   
1 1 1 21 18 17 o 5.0067  0.3050 7.0419  -148.2000 0.44   -0.19  -0.18  0.03   
1 1 1 21 18 18 o 9.2291  0.2411 6.9500  145.300   0.91   0.95   -0.22  -0.36  
1 1 1 21 18 19 o 12.145  0.1984 11.813  38.900    0.08   0.11   -0.01  0.00   
1 1 1 21 18 20 o 11.324  0.2403 10.250  -23.9000  1.32   -0.78  -0.40  0.04   
1 1 1 21 18 21 f 19.497  0.5914 19.779  158.200   -3.70  0.99   -0.43  -0.13  
1 1 1 21 18 22 o 9.3295  0.3307 6.2569  62.500    1.62   -1.33  -0.58  0.01   
1 1 1 21 18 23 o 6.5131  0.3774 6.5855  25.200    -0.02  -0.23  0.00   0.01   
1 1 1 21 18 24 o 4.4996  0.7097 ?       ?         -0.52  0.41   -0.05  -0.04  
1 1 1 21 18 25 o 5.0787  0.7418 ?       ?         -0.57  -0.55  0.04   0.02   
1 1 1 21 18 26 o 8.5202  0.8017 ?       ?         0.02   -1.51  -0.02  -0.03  
1 1 1 21 19 0  o 22.799  0.2987 23.526  -0.0000   -0.08  0.00   0.00   0.00   
1 1 1 21 19 1  o 18.924  0.6675 29.738  -3.1000   7.03   -2.65  -1.10  1.14   
1 1 1 21 19 2  o 39.613  1.4093 38.195  120.600   -9.18  2.41   -0.63  0.28   
1 1 1 21 19 3  f 15.640  0.1655 9.9984  -86.9000  4.36   -1.93  -4.00  3.23   
1 1 1 21 19 4  o 15.391  0.4906 13.756  -172.7000 -10.00 4.00   -2.10  2.22   
1 1 1 21 19 5  o 35.811  0.3667 34.342  -110.4000 -1.45  -3.08  0.58   -0.46  
1 1 1 21 19 6  o 15.824  0.3359 17.389  -163.6000 -2.98  -1.61  -0.40  -0.80  
1 1 1 21 19 7  f 16.589  0.2927 22.250  -102.0000 1.45   -1.33  -0.08  0.36   
1 1 1 21 19 8  o 14.898  0.5104 18.922  177.600   -4.86  7.06   0.76   2.73   
1 1 1 21 19 9  o 32.126  0.2812 33.754  53.200    3.39   0.85   -1.20  -0.26  
1 1 1 21 19 10 o 32.912  0.1785 33.812  146.400   -0.21  0.21   -0.09  0.02   
1 1 1 21 19 11 o 26.682  0.1858 20.152  166.500   -0.91  0.48   -0.67  0.13   
1 1 1 21 19 12 o 8.0600  0.2000 12.964  -115.7000 1.20   -0.34  -0.73  0.23   
1 1 1 21 19 13 o 6.8880  0.2150 9.8684  -76.4000  0.12   -0.12  -0.32  0.10   
1 1 1 21 19 14 o 20.409  0.4427 22.467  63.700    3.14   0.67   -0.36  -0.29  
1 1 1 21 19 15 o 25.831  0.1716 27.301  -95.3000  0.32   -0.63  -0.21  0.16   
1 1 1 21 19 16 o 6.9222  0.2558 6.6374  -69.4000  1.15   -1.38  -0.07  0.58   
1 1 1 21 19 17 o 9.0769  0.2588 8.4469  -103.1000 -0.92  -1.32  -0.04  -0.42  
1 1 1 21 19 18 o 11.296  0.2347 13.122  -96.2000  1.12   -0.59  -0.24  0.11   
1 1 1 21 19 19 o 14.171  0.1939 12.775  105.600   -0.39  0.81   -0.18  0.18   
1 1 1 21 19 20 o 9.0072  0.2592 7.6327  93.200    0.16   -0.19  -0.03  -0.05  
1 1 1 21 19 21 o 11.666  0.2942 9.7353  -76.5000  -0.75  1.04   0.19   0.02   
1 1 1 21 19 22 o 1.2082  0.9974 1.9239  145.800   -0.11  -0.07  0.01   -0.01  
1 1 1 21 19 23 o 10.659  0.3150 11.195  -155.3000 -1.78  0.05   0.48   0.32   
1 1 1 21 19 24 o 6.1896  0.8738 ?       ?         0.06   -0.31  0.00   0.00   
1 1 1 21 19 25 o 4.9405  1.1439 ?       ?         0.06   0.33   -0.00  0.00   
1 1 1 21 19 26 o 5.9367  1.7471 ?       ?         -0.38  0.91   -0.02  0.01   
1 1 1 21 20 0  o 8.5381  0.4129 10.357  0.1000    -0.15  0.00   0.00   0.00   
1 1 1 21 20 1  o 13.952  0.2453 16.463  -75.1000  2.21   0.51   -0.82  -0.25  
1 1 1 21 20 2  o 40.920  0.3267 36.336  161.700   -0.29  -1.37  0.27   0.02   
1 1 1 21 20 3  o 29.342  0.2968 24.787  109.500   4.51   5.80   2.70   -5.03  
1 1 1 21 20 4  o 40.786  0.2209 44.230  85.000    0.63   0.76   0.28   -0.23  
1 1 1 21 20 5  o 43.218  0.6696 44.251  -47.4000  5.28   1.82   -0.52  -0.65  
1 1 1 21 20 6  o 22.685  0.6723 22.351  133.600   -8.43  7.87   -0.33  2.25   
1 1 1 21 20 7  o 22.168  0.1377 18.948  89.600    -0.23  1.05   0.68   -0.01  
1 1 1 21 20 8  o 36.260  0.1918 28.560  85.800    -1.57  1.01   -3.09  -0.35  
1 1 1 21 20 9  o 24.793  0.1535 24.411  -41.5000  0.09   -0.26  0.12   -0.47  
1 1 1 21 20 10 o 26.319  0.1581 28.058  73.900    -1.31  0.81   -0.70  0.43   
1 1 1 21 20 11 o 31.377  0.4721 36.096  143.000   -9.26  -4.48  -1.83  -3.81  
1 1 1 21 20 12 o 9.4067  0.1607 10.679  -140.6000 -1.37  0.50   -0.38  0.52   
1 1 1 21 20 13 o 12.363  0.2662 16.209  68.100    5.41   1.42   -2.83  -0.99  
1 1 1 21 20 14 o 12.443  0.1594 15.104  123.900   -0.51  0.06   -0.11  0.13   
1 1 1 21 20 15 o 6.8941  0.2268 5.0284  -105.1000 -0.26  -0.11  -0.08  -0.01  
1 1 1 21 20 16 o 22.520  0.1618 25.982  -32.3000  1.25   -0.80  -0.68  -0.59  
1 1 1 21 20 17 o 10.564  0.2091 10.612  162.700   -0.28  0.05   0.08   0.09   
1 1 1 21 20 18 o 6.9379  0.2677 6.6489  159.600   0.74   -0.57  -0.28  0.19   
1 1 1 21 20 19 o 7.0045  0.2696 6.0598  -84.4000  1.04   -0.31  -0.35  -0.10  
1 1 1 21 20 20 o 15.315  0.1796 15.535  145.500   -0.43  0.81   0.09   -0.34  
1 1 1 21 20 21 o 7.4737  0.2934 9.2965  -142.2000 -1.16  0.93   0.33   0.29   
1 1 1 21 20 22 o 4.3667  0.7306 3.5836  51.900    0.95   0.37   -0.08  -0.01  
1 1 1 21 20 23 o 3.0310  1.4109 2.6703  6.2000    0.10   0.06   0.00   -0.00  
1 1 1 21 20 24 o 1.6156  1.1034 ?       ?         -0.08  0.04   0.00   -0.00  
1 1 1 21 20 25 o 4.5557  0.8782 ?       ?         -0.50  -0.40  -0.01  0.02   
1 1 1 21 20 26 o 8.3361  0.8295 ?       ?         -0.92  1.23   0.01   -0.01  
1 1 1 21 21 0  f 30.742  0.5966 41.931  -179.9000 -0.01  0.00   0.00   0.00   
1 1 1 21 21 1  o 25.448  0.3851 32.727  -90.1000  0.00   0.09   0.00   0.00   
1 1 1 21 21 2  o 31.134  0.3541 33.265  179.900   -0.54  0.00   0.00   0.00   
1 1 1 21 21 3  o 20.845  0.2301 26.606  -90.0000  0.00   0.05   0.00   0.00   
1 1 1 21 21 4  o 6.8484  0.1778 4.5550  -0.5000   -0.05  0.00   0.00   0.00   
1 1 1 21 21 5  o 23.808  0.2350 28.836  90.100    0.00   0.09   0.00   0.00   
1 1 1 21 21 6  o 17.804  0.2219 16.390  0.2000    0.33   0.00   0.00   0.00   
1 1 1 21 21 7  o 18.759  0.2187 7.9677  -90.0000  -0.00  -0.19  0.00   0.00   
1 1 1 21 21 8  o 20.707  0.1938 12.106  -180.0000 0.19   0.00   0.00   0.00   
1 1 1 21 21 9  o 12.170  0.2377 8.7682  90.200    0.00   0.04   0.00   0.00   
1 1 1 21 21 10 f 24.599  0.2096 24.207  179.800   0.12   0.00   0.00   0.00   
1 1 1 21 21 11 o 15.537  0.2064 18.053  89.900    0.00   0.03   0.00   0.00   
1 1 1 21 21 12 o 3.8341  0.4624 4.7681  179.800   0.02   0.00   0.00   0.00   
1 1 1 21 21 13 o 7.3485  0.3005 9.1384  -90.1000  0.00   0.00   0.00   0.00   
1 1 1 21 21 14 o 7.5498  0.2746 6.1357  0.2000    -0.05  0.00   0.00   0.00   
1 1 1 21 21 15 o 0.0000  2.1448 3.0290  89.900    0.00   0.01   0.00   0.00   
1 1 1 21 21 16 o 4.0743  0.5283 6.8158  0.0000    0.04   0.00   0.00   0.00   
1 1 1 21 21 17 o 17.905  0.2506 14.999  -90.0000  -0.00  -0.52  0.00   0.00   
1 1 1 21 21 18 o 7.0993  0.4308 4.4022  180.000   -0.14  0.00   0.00   0.00   
1 1 1 21 21 19 o 4.6690  0.5941 3.7573  90.000    0.00   0.18   0.00   0.00   
1 1 1 21 21 20 o 1.5492  0.9949 2.7209  180.000   -0.07  0.00   0.00   0.00   
1 1 1 21 21 21 o 1.5811  1.0916 1.2982  -90.0000  0.00   0.06   0.00   0.00   
1 1 1 21 21 22 o 4.3359  0.8209 4.0168  -0.0000   -0.18  0.00   0.00   0.00   
1 1 1 21 21 23 o 9.5289  0.4648 ?       ?         -0.00  -0.34  0.00   0.00   
1 1 1 21 21 24 o 3.1781  1.0777 ?       ?         -0.06  0.00   0.00   0.00   
1 1 1 21 21 25 o 12.149  0.6994 ?       ?         0.00   0.69   0.00   0.00   
1 1 1 21 21 26 o 6.1644  1.2572 ?       ?         -0.23  0.00   0.00   0.00   
1 1 1 22 0  0  o 27.803  0.2830 59.764  -180.0000 -0.03  0.00   0.00   0.00   
1 1 1 22 0  1  o 11.992  0.2090 4.9728  -44.5000  0.00   -0.00  0.00   0.00   
1 1 1 22 0  2  o 54.683  0.3444 51.636  -90.0000  -0.00  -0.10  0.00   0.00   
1 1 1 22 0  3  o 50.778  0.3054 37.673  45.000    0.17   0.17   0.00   0.00   
1 1 1 22 0  4  o 83.422  0.5082 68.519  -180.0000 -0.24  0.00   0.00   0.00   
1 1 1 22 0  5  o 14.405  0.1986 2.6885  -43.7000  0.08   -0.08  0.00   0.00   
1 1 1 22 0  6  o 7.7395  0.2137 5.9224  -89.8000  -0.00  -0.02  0.00   0.00   
1 1 1 22 0  7  o 17.026  0.2089 0.0953  -161.9000 -0.01  -0.01  0.00   0.00   
1 1 1 22 0  8  o 12.066  0.2237 16.436  -179.9000 0.04   0.00   0.00   0.00   
1 1 1 22 0  9  f 37.935  0.2683 44.249  -44.9000  0.11   -0.11  0.00   0.00   
1 1 1 22 0  10 o 40.101  0.2983 40.035  90.000    0.00   0.27   0.00   0.00   
1 1 1 22 0  11 o 9.7468  0.2500 0.6298  49.300    -0.04  -0.04  0.00   0.00   
1 1 1 22 0  12 o 17.029  0.2488 3.1630  -0.6000   0.01   0.00   0.00   0.00   
1 1 1 22 0  13 o 28.265  0.2629 36.138  134.900   -0.26  0.26   0.00   0.00   
1 1 1 22 0  14 o 3.2711  0.5101 4.7150  -89.7000  0.00   0.02   0.00   0.00   
1 1 1 22 0  15 o 8.9610  0.2707 2.9014  -135.4000 -0.00  -0.00  0.00   0.00   
1 1 1 22 0  16 o 16.784  0.2147 15.887  -0.1000   -0.01  0.00   0.00   0.00   
1 1 1 22 0  17 o 49.564  0.3357 49.219  135.000   -0.44  0.44   0.00   0.00   
1 1 1 22 0  18 o 21.792  0.2338 24.433  -90.0000  -0.00  -0.69  0.00   0.00   
1 1 1 22 0  19 o 19.029  0.2336 19.829  -135.0000 -0.50  -0.50  0.00   0.00   
1 1 1 22 0  20 o 15.271  0.2544 15.526  0.0000    0.05   0.00   0.00   0.00   
1 1 1 22 0  21 o 15.317  0.2757 14.646  135.000   0.13   -0.13  0.00   0.00   
1 1 1 22 0  22 o 4.4721  0.5882 1.9818  90.000    0.00   0.05   0.00   0.00   
1 1 1 22 0  23 o 1.2649  1.0825 1.8398  45.000    0.04   0.04   0.00   0.00   
1 1 1 22 0  24 f 14.880  0.3351 18.754  0.0000    -0.07  0.00   0.00   0.00   
1 1 1 22 0  25 o 20.849  0.3676 ?       ?         -0.28  0.28   0.00   0.00   
1 1 1 22 1  0  o 24.714  0.1788 15.588  179.900   0.00   0.00   0.00   0.00   
1 1 1 22 1  1  o 45.391  0.3997 43.681  99.000    5.22   3.35   -1.77  -2.93  
1 1 1 22 1  2  f 79.572  0.4520 67.664  -44.3000  2.02   1.90   0.18   -0.72  
1 1 1 22 1  3  o 80.809  0.5767 89.605  150.800   -3.22  -3.36  0.36   -1.23  
1 1 1 22 1  4  o 27.656  0.3521 18.598  -127.4000 1.17   -3.43  0.69   0.60   
1 1 1 22 1  5  o 75.734  0.3138 62.602  13.300    0.82   -0.48  1.69   0.25   
1 1 1 22 1  6  o 40.161  0.4709 28.279  155.900   -3.51  9.27   3.29   2.40   
1 1 1 22 1  7  f 27.913  0.6112 21.417  42.600    10.31  -1.63  -2.97  0.70   
1 1 1 22 1  8  o 38.301  0.4181 39.094  -108.7000 1.62   -1.30  -0.01  0.27   
1 1 1 22 1  9  o 28.649  0.5881 32.268  -25.7000  9.76   -6.02  -1.73  2.77   
1 1 1 22 1  10 o 11.728  0.2198 19.042  -44.1000  -1.54  -1.43  -0.20  -0.92  
1 1 1 22 1  11 o 22.345  0.7966 22.084  -83.2000  1.07   -16.05 3.70   0.26   
1 1 1 22 1  12 o 9.1668  0.1936 6.8656  106.800   -0.14  0.05   -0.01  0.02   
1 1 1 22 1  13 o 16.497  0.1389 19.521  -67.0000  0.52   1.16   0.31   -0.97  
1 1 1 22 1  14 o 24.999  0.1599 31.824  134.700   -0.73  -0.28  -0.08  -0.48  
1 1 1 22 1  15 o 26.567  0.1801 28.406  -177.5000 -0.17  -0.17  -0.04  0.18   
1 1 1 22 1  16 o 33.338  0.1854 29.912  -101.8000 -0.28  -0.50  -0.48  0.02   
1 1 1 22 1  17 o 16.421  0.1722 15.439  26.500    0.12   0.39   0.07   0.00   
1 1 1 22 1  18 o 35.049  0.2140 31.338  111.200   -2.35  0.72   -0.78  -0.56  
1 1 1 22 1  19 o 13.465  0.1793 11.546  130.700   0.32   1.32   0.15   -0.81  
1 1 1 22 1  20 o 10.082  0.4239 8.8176  179.100   -1.87  -0.25  -0.24  0.01   
1 1 1 22 1  21 o 18.428  0.1913 18.755  -171.0000 -0.12  0.47   -0.04  0.05   
1 1 1 22 1  22 o 8.7968  0.2740 8.9744  2.8000    -0.04  -1.57  0.28   -0.27  
1 1 1 22 1  23 o 11.714  0.2365 10.953  -150.3000 -0.38  -0.13  0.06   -0.01  
1 1 1 22 1  24 o 11.939  0.3476 12.624  110.200   -0.62  -0.27  0.02   -0.04  
1 1 1 22 1  25 o 11.535  0.7457 ?       ?         -1.16  1.39   -0.08  0.06   
1 1 1 22 1  26 o 8.6255  1.2226 ?       ?         -0.60  -0.67  0.00   0.00   
1 1 1 22 2  0  f 35.236  0.2270 12.744  180.000   -0.08  0.00   0.00   0.00   
1 1 1 22 2  1  o 35.473  0.6456 25.605  -148.9000 -5.49  -3.86  -0.52  -1.26  
1 1 1 22 2  2  o 29.795  0.9660 32.094  -70.2000  14.72  -17.91 1.13   5.07   
1 1 1 22 2  3  o 53.848  0.2604 46.030  98.600    2.12   0.14   -2.29  0.65   
1 1 1 22 2  4  o 51.478  0.2373 38.332  30.600    -0.04  -0.10  0.01   -0.00  
1 1 1 22 2  5  o 12.735  0.4248 12.352  111.000   1.76   -1.87  0.01   0.29   
1 1 1 22 2  6  o 13.718  0.2116 10.635  -165.6000 -0.65  -4.83  4.12   -0.87  
1 1 1 22 2  7  o 7.4075  0.2979 8.6103  164.300   -2.77  -3.27  0.23   -1.84  
1 1 1 22 2  8  o 10.929  0.1243 5.9412  85.200    0.08   0.31   0.25   -0.05  
1 1 1 22 2  9  o 35.732  0.2009 35.699  -78.5000  2.90   0.08   -1.94  0.69   
1 1 1 22 2  10 o 19.271  0.2078 27.301  -79.6000  0.55   -1.06  0.12   0.34   
1 1 1 22 2  11 o 26.107  0.1473 19.149  125.600   -1.06  -0.47  -0.19  -0.60  
1 1 1 22 2  12 o 15.122  0.1387 21.340  -78.7000  0.00   -0.01  0.00   0.00   
1 1 1 22 2  13 o 18.380  0.3277 18.985  127.000   1.37   1.96   0.27   -0.47  
1 1 1 22 2  14 o 20.853  0.3192 19.111  -109.6000 -0.50  -1.67  0.24   -0.10  
1 1 1 22 2  15 o 27.753  0.1725 23.689  -102.4000 -0.74  -0.91  0.28   -0.27  
1 1 1 22 2  16 o 15.760  0.2301 19.435  139.300   -0.89  0.27   -0.15  0.04   
1 1 1 22 2  17 o 9.6566  0.7039 7.2251  -99.9000  -1.98  -6.40  0.83   -0.47  
1 1 1 22 2  18 o 8.5025  0.2236 7.2294  9.3000    0.17   -0.10  0.07   0.07   
1 1 1 22 2  19 o 5.3621  0.3472 6.2317  158.000   -0.18  -0.10  -0.06  0.00   
1 1 1 22 2  20 o 7.7517  0.3899 9.2050  83.500    0.09   0.15   0.00   -0.00  
1 1 1 22 2  21 o 16.247  0.1909 16.072  -118.7000 -0.51  -0.71  0.26   0.20   
1 1 1 22 2  22 o 4.9930  0.4015 5.4422  -32.4000  0.56   0.12   0.26   -0.30  
1 1 1 22 2  23 f 15.268  0.2452 13.572  54.700    1.06   1.54   0.43   0.14   
1 1 1 22 2  24 o 17.306  0.2497 18.574  -137.4000 -0.59  -0.79  0.08   0.05   
1 1 1 22 2  25 o 9.1996  0.8834 ?       ?         -0.03  -1.04  0.02   -0.03  
1 1 1 22 2  26 o 0.5477  1.6438 ?       ?         0.01   -0.17  0.00   0.00   
1 1 1 22 3  0  o 78.760  0.5121 54.536  0.0000    0.67   0.00   0.00   0.00   
1 1 1 22 3  1  o 34.117  0.4374 35.595  -110.0000 -1.80  -5.72  2.10   -1.26  
1 1 1 22 3  2  o 18.628  0.2877 6.8442  125.900   3.21   -0.27  -1.16  0.13   
1 1 1 22 3  3  o 29.575  0.2198 45.713  -29.2000  0.70   -2.63  1.10   0.79   
1 1 1 22 3  4  o 31.691  0.8578 52.146  78.200    4.35   18.07  3.65   -2.00  
1 1 1 22 3  5  o 60.202  0.2588 52.889  118.500   -1.35  0.57   -2.28  -0.21  
1 1 1 22 3  6  o 28.969  0.7470 29.020  -48.2000  16.54  0.82   -4.16  -0.58  
1 1 1 22 3  7  o 27.521  0.1436 22.032  -137.9000 0.04   -0.83  1.40   1.92   
1 1 1 22 3  8  o 11.623  0.1291 17.488  -94.9000  -0.13  0.03   0.53   0.80   
1 1 1 22 3  9  o 13.965  0.1560 13.467  -42.4000  0.37   0.03   -0.33  -2.35  
1 1 1 22 3  10 o 12.340  0.2645 18.366  -171.9000 -2.32  -0.48  -0.70  -0.41  
1 1 1 22 3  11 o 13.881  0.2268 14.737  64.000    -1.63  1.72   -0.16  1.25   
1 1 1 22 3  12 o 40.761  0.2026 44.209  -11.2000  -0.31  -2.09  0.76   -1.33  
1 1 1 22 3  13 f 7.3898  0.1921 11.304  -95.1000  -0.02  -0.04  0.01   -0.00  
1 1 1 22 3  14 f 44.427  0.2234 43.609  44.000    0.26   -0.08  0.12   -0.04  
1 1 1 22 3  15 o 37.299  0.2771 38.355  173.600   -1.51  1.11   0.14   0.44   
1 1 1 22 3  16 f 31.757  0.2005 31.744  -165.6000 -0.58  0.54   -0.38  -0.07  
1 1 1 22 3  17 o 7.4819  0.2341 7.7758  72.200    -0.32  0.14   -0.12  0.04   
1 1 1 22 3  18 o 8.8193  0.2197 10.873  -90.9000  -0.05  -0.49  0.07   0.02   
1 1 1 22 3  19 o 5.7066  0.3027 6.2817  -4.9000   -0.11  -0.22  0.00   -0.03  
1 1 1 22 3  20 o 15.348  0.3531 15.791  133.500   -0.52  -1.85  0.28   -0.02  
1 1 1 22 3  21 o 11.655  0.4291 11.576  -139.8000 0.10   -0.13  -0.00  0.00   
1 1 1 22 3  22 o 11.406  0.2342 11.431  -113.9000 -0.41  -0.51  0.17   0.27   
1 1 1 22 3  23 o 7.8824  0.2974 6.8283  142.900   0.15   -0.13  0.02   0.00   
1 1 1 22 3  24 f 15.827  0.2368 16.093  -16.1000  0.74   -0.36  0.02   -0.11  
1 1 1 22 3  25 o 4.3198  0.7226 ?       ?         -0.23  -0.18  0.02   0.00   
1 1 1 22 3  26 o 8.5907  0.8967 ?       ?         -0.06  -1.14  0.00   0.00   
1 1 1 22 4  0  o 88.991  0.5045 96.261  -180.0000 0.17   0.00   0.00   0.00   
1 1 1 22 4  1  o 51.495  0.5562 38.586  88.700    5.00   5.02   -0.21  -2.09  
1 1 1 22 4  2  o 65.701  0.3013 69.028  66.800    -3.51  2.77   -2.62  3.80   
1 1 1 22 4  3  o 60.849  0.3021 65.407  -125.0000 -0.85  -0.20  -0.12  -0.03  
1 1 1 22 4  4  o 59.536  0.4213 60.635  73.400    2.87   1.17   -0.63  -0.43  
1 1 1 22 4  5  o 69.833  0.4510 54.717  -23.6000  3.72   2.21   -0.29  -1.40  
1 1 1 22 4  6  f 44.118  0.2000 50.127  172.500   -0.28  0.55   1.29   -0.09  
1 1 1 22 4  7  o 34.862  0.7508 31.396  142.800   -9.16  8.81   0.12   2.93   
1 1 1 22 4  8  o 82.040  0.6235 83.287  -107.8000 2.27   -3.71  -0.06  0.94   
1 1 1 22 4  9  o 20.180  0.6813 18.047  64.900    17.81  10.62  -3.61  -5.94  
1 1 1 22 4  10 o 11.487  0.5333 11.833  110.600   3.69   1.59   -0.36  -0.43  
1 1 1 22 4  11 o 20.897  0.4375 9.6244  157.700   -1.60  -0.17  -0.11  -0.04  
1 1 1 22 4  12 o 18.038  0.1839 9.7160  93.900    -0.66  0.63   -0.92  0.97   
1 1 1 22 4  13 o 7.4823  0.2042 6.9053  -109.4000 -0.36  -0.08  -0.04  -0.01  
1 1 1 22 4  14 o 8.7007  0.1900 21.696  -109.0000 0.00   0.09   0.05   -0.12  
1 1 1 22 4  15 o 21.055  0.1446 17.764  85.000    -0.10  1.42   0.64   0.50   
1 1 1 22 4  16 o 24.266  0.2481 23.940  108.300   -1.42  -0.46  -0.33  -0.04  
1 1 1 22 4  17 o 24.224  0.5468 23.502  42.500    7.47   5.37   -0.15  -2.17  
1 1 1 22 4  18 o 8.4651  0.2166 9.9538  1.5000    0.02   -0.03  0.00   -0.01  
1 1 1 22 4  19 o 15.891  0.1788 13.388  -39.8000  -0.02  -0.17  -0.03  0.03   
1 1 1 22 4  20 o 9.6873  0.2339 9.4888  -143.3000 -0.35  0.26   0.12   0.10   
1 1 1 22 4  21 o 6.3558  0.3218 5.5469  75.700    -0.09  0.35   -0.11  -0.24  
1 1 1 22 4  22 o 6.5903  0.3633 5.7491  -133.6000 -0.34  -1.98  0.32   -0.41  
1 1 1 22 4  23 o 7.6539  0.3153 9.6610  -134.7000 -0.51  0.00   -0.00  0.09   
1 1 1 22 4  24 o 4.0279  0.6484 4.1431  99.000    -0.20  0.18   -0.01  0.01   
1 1 1 22 4  25 o 2.7606  1.2830 ?       ?         -0.02  0.18   0.00   -0.01  
1 1 1 22 4  26 o 4.9069  1.3304 ?       ?         0.07   0.22   -0.00  0.00   
1 1 1 22 5  0  o 51.460  0.3139 37.093  -0.1000   -0.11  0.00   0.00   0.00   
1 1 1 22 5  1  o 55.174  0.2530 51.379  -171.5000 -2.91  0.91   -1.49  1.88   
1 1 1 22 5  2  o 76.170  0.3464 71.755  152.700   -1.40  -0.09  -0.42  -0.30  
1 1 1 22 5  3  o 76.976  0.4214 73.715  61.500    1.06   -1.03  0.06   0.22   
1 1 1 22 5  4  o 17.841  0.1715 10.497  172.600   -0.73  0.07   -0.14  0.02   
1 1 1 22 5  5  o 65.144  0.5411 58.980  -169.2000 -2.83  -0.13  -0.39  0.05   
1 1 1 22 5  6  o 8.0657  0.1930 3.7149  -29.5000  0.91   1.05   0.03   -0.44  
1 1 1 22 5  7  o 54.780  0.2461 53.646  -16.4000  0.18   -0.34  0.18   -0.08  
1 1 1 22 5  8  o 13.352  0.4362 4.3241  -110.0000 -2.72  -6.26  1.56   -1.89  
1 1 1 22 5  9  o 15.237  0.5062 12.187  -31.9000  5.87   -8.08  1.34   3.38   
1 1 1 22 5  10 o 7.2660  0.1563 5.6830  -108.7000 0.28   0.17   -0.01  -0.58  
1 1 1 22 5  11 o 14.311  0.5008 11.279  71.300    3.62   8.12   1.66   -2.09  
1 1 1 22 5  12 o 23.640  0.2148 25.602  75.000    -0.91  1.10   0.17   0.35   
1 1 1 22 5  13 o 21.999  0.4021 24.997  51.000    0.35   4.59   1.26   -0.43  
1 1 1 22 5  14 o 13.312  0.2438 9.7942  44.800    0.03   0.68   0.07   -0.02  
1 1 1 22 5  15 o 23.808  0.1685 20.223  -115.2000 -0.51  -0.16  -0.01  -0.24  
1 1 1 22 5  16 o 4.9062  0.3087 1.7324  163.100   -0.79  -0.21  -0.10  -0.08  
1 1 1 22 5  17 f 13.123  0.1774 8.6933  167.100   -0.27  -1.00  0.21   -0.63  
1 1 1 22 5  18 o 10.694  0.1910 13.632  136.300   -0.40  0.66   0.33   0.07   
1 1 1 22 5  19 o 3.6046  0.4535 2.6160  -35.0000  0.17   0.14   0.11   -0.05  
1 1 1 22 5  20 o 4.8552  0.3633 5.3821  105.300   0.20   0.04   -0.01  -0.01  
1 1 1 22 5  21 f 10.139  0.2176 10.342  -170.9000 -0.52  -2.00  1.10   0.48   
1 1 1 22 5  22 o 4.3089  0.4299 3.8616  115.700   0.11   0.10   -0.01  -0.00  
1 1 1 22 5  23 o 8.2564  0.2893 8.8081  -91.2000  0.35   -0.06  -0.01  -0.05  
1 1 1 22 5  24 o 3.1952  0.8663 3.3666  159.800   -0.40  0.15   0.00   0.03   
1 1 1 22 5  25 o 5.4631  0.6057 ?       ?         -0.50  -0.14  0.04   0.02   
1 1 1 22 5  26 o 7.7035  0.7606 ?       ?         0.37   0.30   0.01   0.01   
1 1 1 22 6  0  o 40.274  0.2933 34.245  0.0000    -0.15  0.00   0.00   0.00   
1 1 1 22 6  1  o 53.768  0.2537 44.581  117.000   -0.52  -0.02  0.33   -1.81  
1 1 1 22 6  2  o 45.764  0.3238 46.500  -173.8000 -3.66  -6.28  3.73   -4.76  
1 1 1 22 6  3  o 58.326  1.2551 56.571  157.900   -16.41 22.97  2.61   6.41   
1 1 1 22 6  4  o 26.020  0.3189 26.072  57.100    1.97   2.92   0.40   -0.82  
1 1 1 22 6  5  o 40.903  0.1993 57.324  53.700    0.07   0.22   -0.10  -0.30  
1 1 1 22 6  6  o 16.641  0.1554 7.2924  35.300    -0.19  0.79   1.53   4.76   
1 1 1 22 6  7  o 28.085  0.3388 27.646  63.200    -0.46  4.09   1.29   0.48   
1 1 1 22 6  8  o 40.533  0.1994 25.564  120.200   -0.64  0.87   -0.05  0.32   
1 1 1 22 6  9  o 19.358  0.1412 13.496  102.400   -0.18  0.02   -0.05  -0.01  
1 1 1 22 6  10 o 23.397  0.4107 22.928  -108.8000 -5.17  -0.97  -1.70  -0.38  
1 1 1 22 6  11 o 16.349  0.1634 21.429  45.100    0.16   0.24   -1.52  0.12   
1 1 1 22 6  12 o 20.418  0.4885 13.613  -111.0000 -2.91  -8.21  1.90   -1.30  
1 1 1 22 6  13 o 13.121  0.1397 13.837  -59.3000  0.38   -0.09  -0.30  -0.03  
1 1 1 22 6  14 o 9.1200  0.3446 2.7926  -67.7000  -0.22  -2.14  0.40   -0.13  
1 1 1 22 6  15 o 20.894  0.2285 14.932  -141.2000 -1.45  -0.83  -0.33  -0.29  
1 1 1 22 6  16 f 14.612  0.1552 12.429  -56.1000  0.09   -0.44  0.20   -0.09  
1 1 1 22 6  17 o 6.8904  0.2992 8.5502  -9.7000   0.09   1.41   0.26   0.02   
1 1 1 22 6  18 o 16.673  0.1612 16.703  -117.4000 0.18   -1.25  -0.04  0.85   
1 1 1 22 6  19 o 8.3019  0.3075 7.1153  94.100    -0.31  0.75   0.04   0.08   
1 1 1 22 6  20 f 14.419  0.2847 13.115  170.100   -2.32  0.48   -0.67  -0.12  
1 1 1 22 6  21 o 9.7754  0.6477 9.3747  -47.0000  2.29   -1.21  -0.06  0.22   
1 1 1 22 6  22 o 15.048  0.1817 13.378  -74.6000  -0.95  -0.57  0.23   0.41   
1 1 1 22 6  23 o 5.6062  0.3857 6.4624  142.500   -0.29  0.35   -0.03  -0.18  
1 1 1 22 6  24 o 3.1366  0.7166 2.0525  83.700    0.04   0.10   -0.01  -0.00  
1 1 1 22 6  25 o 11.264  0.3825 ?       ?         -0.71  -1.11  0.09   0.08   
1 1 1 22 6  26 o 7.7944  0.7250 ?       ?         -0.21  0.03   0.00   -0.00  
1 1 1 22 7  0  o 21.382  0.1832 2.1603  1.3000    -0.04  0.00   0.00   0.00   
1 1 1 22 7  1  o 40.579  0.3819 28.202  100.200   -4.49  1.63   -1.15  1.18   
1 1 1 22 7  2  f 72.680  0.3235 58.498  -161.2000 -0.40  1.29   0.85   -0.02  
1 1 1 22 7  3  o 26.590  0.4344 29.960  98.900    5.64   5.43   -0.23  -2.73  
1 1 1 22 7  4  o 27.376  1.1613 19.884  -126.0000 -33.26 -12.85 -5.27  -4.58  
1 1 1 22 7  5  o 25.879  0.1953 27.237  -79.5000  -0.43  -1.07  0.17   -0.21  
1 1 1 22 7  6  o 12.476  0.8081 13.801  159.100   -20.84 10.10  -4.10  4.98   
1 1 1 22 7  7  o 19.681  0.1859 13.489  69.400    -0.88  1.37   0.15   0.56   
1 1 1 22 7  8  f 13.095  0.6498 8.0170  12.600    11.69  2.98   -2.85  -1.42  
1 1 1 22 7  9  o 49.463  0.4909 53.839  11.900    3.97   1.05   -0.87  -0.20  
1 1 1 22 7  10 o 8.6739  0.1488 7.7038  39.100    0.41   0.22   -0.07  -0.08  
1 1 1 22 7  11 o 13.102  0.1726 9.0833  -27.4000  0.19   0.09   0.62   -0.33  
1 1 1 22 7  12 o 7.5400  0.3100 11.686  132.200   1.69   -0.21  -0.27  0.05   
1 1 1 22 7  13 f 41.307  0.4771 44.373  142.200   -1.47  1.96   0.19   0.26   
1 1 1 22 7  14 o 34.638  0.3718 39.481  9.1000    2.47   -2.28  -0.40  0.79   
1 1 1 22 7  15 o 7.6507  0.2398 10.605  162.300   -0.24  0.06   0.76   0.79   
1 1 1 22 7  16 o 18.681  0.1498 20.411  -16.4000  0.86   -0.23  -0.58  -0.26  
1 1 1 22 7  17 o 10.134  0.1858 11.796  146.400   -0.51  0.96   0.07   0.42   
1 1 1 22 7  18 o 9.8600  0.4516 9.2820  24.300    4.40   0.56   -1.06  -0.61  
1 1 1 22 7  19 o 17.636  0.1713 17.928  89.300    -0.28  0.21   -0.02  -0.13  
1 1 1 22 7  20 f 6.1155  0.3248 3.0135  133.700   -0.19  0.03   -0.01  -0.10  
1 1 1 22 7  21 o 16.175  0.1874 15.627  -123.0000 -0.28  0.43   0.05   -0.13  
1 1 1 22 7  22 o 14.167  0.2223 15.414  -173.4000 -1.41  1.16   -0.57  -0.02  
1 1 1 22 7  23 o 10.711  0.2424 10.884  -73.6000  0.19   -0.24  0.01   -0.04  
1 1 1 22 7  24 o 10.438  0.2947 9.9019  -15.0000  0.59   -0.47  -0.10  -0.08  
1 1 1 22 7  25 o 5.3799  0.6877 ?       ?         0.55   -0.09  0.03   0.03   
1 1 1 22 7  26 o 11.185  0.7731 ?       ?         -0.39  1.60   -0.04  0.02   
1 1 1 22 8  0  o 12.578  0.1570 19.762  0.1000    -0.07  0.00   0.00   0.00   
1 1 1 22 8  1  o 76.805  0.5336 86.476  165.800   -0.17  0.25   0.00   0.00   
1 1 1 22 8  2  o 56.767  0.8866 47.567  -44.4000  19.19  -7.89  -6.17  5.16   
1 1 1 22 8  3  o 43.185  0.2387 36.698  -111.8000 -0.94  0.85   -3.70  1.95   
1 1 1 22 8  4  f 13.425  0.3651 13.531  -142.4000 -2.91  -5.24  0.82   -1.40  
1 1 1 22 8  5  o 42.835  0.2136 48.283  40.000    0.40   -0.02  -0.16  -0.09  
1 1 1 22 8  6  o 39.424  0.2036 31.378  -35.5000  0.25   -0.76  0.33   0.03   
1 1 1 22 8  7  o 20.117  0.2261 18.477  138.300   -0.07  -0.62  0.06   -0.01  
1 1 1 22 8  8  o 53.400  0.2881 51.332  -56.3000  0.58   0.12   -0.06  0.01   
1 1 1 22 8  9  f 30.011  0.5790 32.128  -3.7000   5.44   -1.17  -0.98  0.28   
1 1 1 22 8  10 o 41.948  0.2044 40.976  24.000    2.68   -0.68  -0.97  2.17   
1 1 1 22 8  11 o 9.4724  0.3468 3.3352  101.300   -1.67  0.70   -0.22  0.28   
1 1 1 22 8  12 o 5.6207  0.2305 4.0037  -147.9000 -0.21  -0.06  -0.21  -0.04  
1 1 1 22 8  13 o 12.048  0.1589 10.379  -122.1000 0.79   0.07   -0.37  0.05   
1 1 1 22 8  14 o 35.474  0.1861 31.314  -88.0000  -0.71  -2.51  0.49   -1.86  
1 1 1 22 8  15 f 24.323  0.3003 26.663  93.000    -3.22  1.08   -0.91  0.33   
1 1 1 22 8  16 o 14.462  0.1569 15.173  17.900    0.31   -0.59  0.24   0.09   
1 1 1 22 8  17 o 10.329  0.2214 8.3744  62.000    -0.14  0.02   -0.01  0.02   
1 1 1 22 8  18 o 7.0547  0.4428 6.0585  -141.6000 1.69   -2.75  0.18   0.84   
1 1 1 22 8  19 o 9.8161  0.2140 8.6623  -19.2000  -0.28  0.02   0.08   0.14   
1 1 1 22 8  20 o 5.8893  0.3127 6.8296  -124.3000 0.06   -0.34  0.03   0.05   
1 1 1 22 8  21 o 12.288  0.4047 12.279  -80.6000  -1.13  -0.25  -0.10  0.02   
1 1 1 22 8  22 o 5.6538  0.3742 5.1809  -59.9000  -0.39  -0.06  0.09   -0.10  
1 1 1 22 8  23 o 4.3965  0.4490 3.2451  -46.0000  0.26   0.00   0.02   0.04   
1 1 1 22 8  24 o 1.4285  1.0008 2.2699  -159.0000 -0.40  0.25   0.02   0.06   
1 1 1 22 8  25 o 4.1669  0.8499 ?       ?         -0.01  0.14   -0.00  -0.00  
1 1 1 22 8  26 o 5.8330  1.6172 ?       ?         0.48   -0.32  0.01   -0.00  
1 1 1 22 9  0  o 104.452 0.5992 99.061  -180.0000 0.24   0.00   0.00   0.00   
1 1 1 22 9  1  o 46.531  0.2229 45.029  104.900   -0.06  0.96   0.42   0.21   
1 1 1 22 9  2  o 19.508  0.1392 19.311  148.500   -1.29  0.26   -1.58  0.39   
1 1 1 22 9  3  o 32.199  0.9829 12.845  32.600    27.05  -0.31  -6.03  0.34   
1 1 1 22 9  4  o 21.014  0.4056 27.088  33.300    6.70   -2.85  -1.97  1.83   
1 1 1 22 9  5  o 25.784  0.1374 25.754  16.800    0.67   0.35   -0.10  -0.33  
1 1 1 22 9  6  o 57.728  0.2634 60.877  51.400    -0.53  0.77   -1.79  -0.59  
1 1 1 22 9  7  o 43.777  0.2409 46.774  -59.5000  2.92   0.07   -1.41  -0.69  
1 1 1 22 9  8  o 31.697  0.9449 36.480  -160.4000 -18.53 3.90   -3.43  1.23   
1 1 1 22 9  9  o 28.746  0.1526 24.847  165.300   -0.27  0.89   0.55   -0.02  
1 1 1 22 9  10 o 41.257  0.2006 36.333  -119.8000 -1.76  -0.10  -1.01  0.72   
1 1 1 22 9  11 o 23.754  0.1675 24.329  -35.5000  1.14   0.61   -0.02  -1.02  
1 1 1 22 9  12 o 16.739  0.1680 15.083  88.500    -0.13  0.09   -0.30  -0.28  
1 1 1 22 9  13 o 20.616  0.2817 20.049  -123.6000 1.99   -2.87  0.19   1.38   
1 1 1 22 9  14 o 19.869  0.1787 14.939  121.500   1.04   -0.54  -0.42  0.23   
1 1 1 22 9  15 o 15.827  0.1741 10.803  -97.2000  -0.37  0.32   -0.87  -0.05  
1 1 1 22 9  16 o 13.491  0.2263 14.970  -124.4000 -2.77  -0.58  -1.46  -0.14  
1 1 1 22 9  17 o 29.364  0.1811 28.182  179.600   -0.48  0.19   0.14   -0.21  
1 1 1 22 9  18 f 18.869  0.1834 16.678  -156.2000 0.54   -0.18  0.04   0.11   
1 1 1 22 9  19 o 20.205  0.5949 19.564  -177.8000 -2.06  7.92   1.83   0.27   
1 1 1 22 9  20 o 12.440  0.2527 12.271  -57.2000  0.94   -1.39  0.33   0.24   
1 1 1 22 9  21 o 16.391  0.1861 17.123  -152.2000 0.40   -0.12  0.08   -0.01  
1 1 1 22 9  22 o 6.2824  0.4744 8.3477  -102.7000 -0.61  0.17   -0.02  0.04   
1 1 1 22 9  23 o 7.6568  0.3039 9.5891  68.000    -0.09  0.68   0.04   -0.14  
1 1 1 22 9  24 o 3.6741  1.1002 3.5904  -94.7000  0.47   -0.28  0.00   0.03   
1 1 1 22 9  25 o 8.8646  0.7315 ?       ?         1.03   -0.15  -0.00  0.05   
1 1 1 22 9  26 o 7.6975  0.9944 ?       ?         -0.28  0.42   -0.00  -0.00  
1 1 1 22 10 0  o 35.763  0.2471 19.575  0.1000    -0.04  0.00   0.00   0.00   
1 1 1 22 10 1  o 43.075  0.2008 39.029  151.500   -0.07  1.86   1.04   0.41   
1 1 1 22 10 2  o 29.992  0.1515 30.819  33.300    -0.22  -0.28  -0.01  -0.14  
1 1 1 22 10 3  o 35.927  0.1795 33.841  -154.4000 0.35   -0.33  0.85   0.68   
1 1 1 22 10 4  o 36.673  0.1726 40.923  -71.8000  -0.66  -0.44  -0.00  -0.54  
1 1 1 22 10 5  o 16.601  0.2495 19.028  -4.7000   4.61   0.29   -3.14  -0.76  
1 1 1 22 10 6  o 43.837  0.2204 48.153  -67.2000  0.55   -0.48  0.06   0.17   
1 1 1 22 10 7  o 20.404  0.1229 16.957  92.800    1.50   -0.30  -1.57  1.45   
1 1 1 22 10 8  o 43.033  0.2075 31.509  -77.1000  -0.57  -1.01  -0.28  -0.84  
1 1 1 22 10 9  o 8.5028  0.1565 14.582  -88.0000  -0.14  -0.17  0.05   -0.08  
1 1 1 22 10 10 o 23.532  0.1498 24.538  -59.5000  -0.09  -0.05  0.11   0.05   
1 1 1 22 10 11 o 31.212  0.1989 29.882  81.200    0.06   0.24   0.04   0.02   
1 1 1 22 10 12 o 10.036  0.2023 9.1491  95.200    0.21   1.01   0.19   -0.06  
1 1 1 22 10 13 o 13.417  0.2033 12.736  7.8000    1.41   -1.84  0.46   0.96   
1 1 1 22 10 14 o 7.6969  0.2060 4.1443  -60.7000  -0.58  -0.23  -0.16  -0.26  
1 1 1 22 10 15 o 10.133  0.3981 5.3137  -59.3000  1.50   -5.61  1.46   1.07   
1 1 1 22 10 16 o 38.931  0.2802 39.015  160.600   -1.94  0.83   -0.50  -0.02  
1 1 1 22 10 17 o 16.161  0.6364 13.698  114.300   3.81   7.53   0.69   -1.51  
1 1 1 22 10 18 o 17.220  0.1864 16.528  -102.5000 0.07   -0.19  -0.04  -0.00  
1 1 1 22 10 19 o 9.5039  0.2390 10.885  -110.1000 -0.77  -0.15  -0.38  0.80   
1 1 1 22 10 20 f 8.6161  0.7068 7.1207  176.100   -1.21  2.67   0.23   0.15   
1 1 1 22 10 21 o 19.764  0.1779 20.370  -131.2000 -0.37  -0.55  0.07   0.04   
1 1 1 22 10 22 o 8.1239  0.5483 8.9607  -145.4000 -0.78  -0.77  -0.03  -0.06  
1 1 1 22 10 23 o 6.8832  0.3704 5.6193  149.600   -0.01  0.59   0.01   0.08   
1 1 1 22 10 24 o 6.4322  0.4017 6.7050  -177.3000 -0.38  -0.56  0.10   0.05   
1 1 1 22 10 25 o 11.825  0.4810 ?       ?         1.46   -0.91  0.11   -0.16  
1 1 1 22 10 26 o 4.3669  1.6383 ?       ?         -0.17  -0.18  -0.00  0.00   
1 1 1 22 11 0  o 37.582  0.2485 10.154  -179.6000 0.03   0.00   0.00   0.00   
1 1 1 22 11 1  f 54.819  0.5305 38.599  -171.4000 -5.04  -1.30  -0.96  -0.76  
1 1 1 22 11 2  o 59.301  0.9279 49.221  80.000    16.99  9.50   -2.51  -5.29  
1 1 1 22 11 3  o 13.175  0.1509 26.176  124.200   -2.21  1.40   -0.66  1.69   
1 1 1 22 11 4  o 52.330  0.6139 52.782  5.3000    6.47   -1.52  -1.20  0.93   
1 1 1 22 11 5  f 20.295  0.1889 23.343  88.300    2.07   1.13   -0.86  -0.96  
1 1 1 22 11 6  o 41.165  1.0772 45.400  -57.3000  5.18   -23.76 4.93   2.82   
1 1 1 22 11 7  o 27.197  0.1607 26.869  137.500   -0.96  -0.23  -0.30  -0.33  
1 1 1 22 11 8  o 15.301  0.8650 9.0799  -102.1000 4.25   -17.66 3.29   1.83   
1 1 1 22 11 9  o 53.881  0.2846 55.637  173.900   0.62   0.87   0.17   -0.09  
1 1 1 22 11 10 o 6.2253  0.1942 7.6841  89.400    1.44   -0.38  -1.12  0.86   
1 1 1 22 11 11 o 18.529  0.1389 13.906  41.900    0.25   0.33   0.33   -0.17  
1 1 1 22 11 12 o 29.886  0.1645 28.861  25.400    0.44   0.15   0.72   -0.09  
1 1 1 22 11 13 o 32.689  0.3113 29.242  -131.4000 -4.14  -0.07  -1.88  0.74   
1 1 1 22 11 14 o 41.040  0.2038 38.296  -23.6000  0.73   -0.46  0.40   0.17   
1 1 1 22 11 15 o 9.0288  0.3930 11.330  24.700    -0.22  2.33   0.28   0.08   
1 1 1 22 11 16 o 15.424  0.1596 19.070  120.600   -0.29  0.08   -0.01  0.03   
1 1 1 22 11 17 f 13.253  0.2524 9.5751  -69.8000  -0.84  -0.19  -0.07  -0.08  
1 1 1 22 11 18 o 15.574  0.4413 14.883  156.100   -5.14  -0.66  -1.07  -0.74  
1 1 1 22 11 19 o 15.201  0.2724 16.925  53.900    0.65   1.91   0.17   -0.45  
1 1 1 22 11 20 o 7.0303  0.3165 8.6637  79.000    -0.11  0.08   -0.01  -0.03  
1 1 1 22 11 21 f 11.309  0.4083 10.495  48.700    0.98   -1.59  0.23   0.12   
1 1 1 22 11 22 o 8.4203  0.2646 8.8174  -129.8000 -0.31  0.22   -0.06  -0.05  
1 1 1 22 11 23 o 6.5473  0.3775 6.0981  -52.7000  -0.14  0.31   -0.06  -0.01  
1 1 1 22 11 24 o 3.4530  0.6552 3.3039  41.600    0.07   -0.23  -0.02  0.01   
1 1 1 22 11 25 o 6.9069  0.8154 ?       ?         -1.07  0.16   -0.03  -0.04  
1 1 1 22 11 26 o 6.1968  1.2198 ?       ?         -0.24  -0.68  0.00   0.00   
1 1 1 22 12 0  o 23.201  0.1648 19.766  0.0000    0.01   0.00   0.00   0.00   
1 1 1 22 12 1  f 13.619  0.1309 16.176  -38.7000  1.89   -2.46  0.81   5.20   
1 1 1 22 12 2  o 39.835  0.3421 43.198  45.000    -0.82  3.86   1.04   0.65   
1 1 1 22 12 3  o 20.577  0.4733 11.311  92.500    -7.61  5.46   -1.25  3.02   
1 1 1 22 12 4  o 12.305  0.1249 24.207  -52.4000  -0.13  -0.01  -0.10  0.03   
1 1 1 22 12 5  o 56.013  0.3062 59.277  142.000   0.66   2.19   0.79   -0.08  
1 1 1 22 12 6  o 22.001  0.3070 19.843  -167.4000 -0.99  -3.17  0.75   -0.68  
1 1 1 22 12 7  o 47.642  0.4122 39.255  118.700   -3.19  4.14   1.01   1.55   
1 1 1 22 12 8  f 23.378  0.4963 18.935  16.600    -1.60  2.86   0.32   0.38   
1 1 1 22 12 9  o 12.075  0.3950 13.476  125.000   -4.06  -1.63  -0.81  -0.91  
1 1 1 22 12 10 f 18.239  0.8568 17.364  89.700    -2.33  11.95  2.03   0.67   
1 1 1 22 12 11 f 24.988  0.1645 27.920  -53.0000  0.62   0.15   -0.11  -0.02  
1 1 1 22 12 12 o 32.755  0.2094 26.995  -81.1000  0.37   0.01   -0.04  0.04   
1 1 1 22 12 13 o 38.302  0.2022 36.148  -70.1000  0.32   -0.30  0.03   0.04   
1 1 1 22 12 14 o 9.8080  0.1820 11.098  -55.3000  0.46   0.55   -0.01  -0.14  
1 1 1 22 12 15 o 18.786  0.3138 18.375  -1.8000   3.00   -2.97  0.24   1.20   
1 1 1 22 12 16 o 7.0747  0.2492 8.4716  42.300    -0.01  0.89   0.22   0.07   
1 1 1 22 12 17 o 5.4524  0.2891 2.0451  -104.4000 -0.55  -0.70  -0.05  -0.31  
1 1 1 22 12 18 o 10.901  0.4242 8.7588  -135.3000 -1.50  -1.96  -0.01  -0.36  
1 1 1 22 12 19 o 8.8952  0.2244 10.646  -91.1000  -0.04  -0.64  0.19   0.15   
1 1 1 22 12 20 o 4.1548  0.4174 3.1195  99.200    -0.04  -0.02  0.00   -0.00  
1 1 1 22 12 21 o 9.0876  0.2593 8.5029  124.000   -0.51  -0.03  0.04   -0.16  
1 1 1 22 12 22 o 5.1956  0.4958 6.0886  -91.5000  0.06   -0.69  0.05   -0.02  
1 1 1 22 12 23 o 5.9255  0.4221 4.5303  173.700   0.39   -0.16  0.05   0.04   
1 1 1 22 12 24 o 3.9758  0.5945 4.6948  68.900    -0.18  0.10   -0.01  -0.01  
1 1 1 22 12 25 o 4.2931  0.8537 ?       ?         0.05   -0.11  -0.00  -0.00  
1 1 1 22 12 26 o 4.5277  1.4401 ?       ?         -0.29  -0.08  0.00   0.00   
1 1 1 22 13 0  o 42.745  0.3297 35.178  0.1000    -0.36  0.00   0.00   0.00   
1 1 1 22 13 1  o 33.678  0.1858 39.744  -2.3000   0.28   -0.84  0.26   0.39   
1 1 1 22 13 2  o 20.833  0.1291 13.791  86.700    -0.22  0.58   0.11   0.17   
1 1 1 22 13 3  o 52.454  0.2293 46.245  50.800    1.04   0.82   0.78   -0.93  
1 1 1 22 13 4  o 67.101  0.8270 74.923  -62.3000  -0.72  -5.98  0.78   -0.41  
1 1 1 22 13 5  o 28.002  0.3205 28.592  134.700   -0.13  1.63   0.20   0.06   
1 1 1 22 13 6  o 23.142  0.4060 19.701  79.600    -6.24  4.26   -0.76  2.73   
1 1 1 22 13 7  o 25.619  0.5608 18.136  178.900   -9.56  -4.65  -1.53  -2.33  
1 1 1 22 13 8  o 17.519  0.1269 3.3040  54.600    0.26   0.47   0.66   -0.21  
1 1 1 22 13 9  o 17.543  0.1462 8.7460  68.100    1.39   0.59   -0.72  -0.44  
1 1 1 22 13 10 o 7.2121  0.1745 6.3749  -92.2000  -0.58  -0.32  -0.10  -0.12  
1 1 1 22 13 11 o 24.378  0.1604 25.558  -119.5000 -1.02  0.14   -0.45  0.42   
1 1 1 22 13 12 o 45.630  0.3259 49.243  -153.6000 -1.27  -0.52  -0.21  -0.04  
1 1 1 22 13 13 o 16.805  0.4102 14.987  -154.7000 -0.57  -2.28  0.23   -0.17  
1 1 1 22 13 14 o 12.614  0.7170 12.396  133.400   -9.95  -0.46  -1.64  -0.27  
1 1 1 22 13 15 o 3.2271  0.3888 3.8990  35.800    -0.11  0.06   -0.07  0.01   
1 1 1 22 13 16 o 4.9396  0.3209 4.6283  154.900   -0.07  -0.01  0.07   0.01   
1 1 1 22 13 17 o 18.247  0.2234 22.445  39.600    -0.04  2.40   0.75   0.56   
1 1 1 22 13 18 o 11.721  0.2305 13.614  -93.9000  -0.27  -0.02  -0.01  -0.01  
1 1 1 22 13 19 o 15.398  0.4460 14.875  -61.9000  -2.09  -4.03  0.25   -0.90  
1 1 1 22 13 20 o 5.2754  0.3411 5.5284  -99.9000  0.05   -0.44  0.09   -0.16  
1 1 1 22 13 21 o 13.987  0.5169 15.386  114.300   -2.43  4.52   0.74   0.44   
1 1 1 22 13 22 o 11.013  0.3809 11.170  71.000    0.76   0.57   0.03   -0.06  
1 1 1 22 13 23 o 7.1987  0.3656 7.8055  -123.3000 -0.05  -0.37  0.01   0.02   
1 1 1 22 13 24 o 3.1618  0.6658 4.1649  60.500    0.01   -0.04  -0.00  0.00   
1 1 1 22 13 25 o 2.0079  1.1305 ?       ?         -0.09  0.14   -0.00  -0.01  
1 1 1 22 13 26 o 3.3899  1.1812 ?       ?         0.04   -0.49  -0.03  -0.01  
1 1 1 22 14 0  o 11.883  0.2230 14.487  -0.1000   -0.01  0.00   0.00   0.00   
1 1 1 22 14 1  o 48.743  0.5004 57.542  -60.8000  4.11   -4.18  -0.46  1.88   
1 1 1 22 14 2  o 20.810  1.3499 10.671  62.900    28.47  -2.08  -3.79  0.65   
1 1 1 22 14 3  o 17.131  0.6551 17.719  -126.8000 -14.87 7.31   -2.79  3.90   
1 1 1 22 14 4  o 74.413  0.4351 84.628  107.200   -2.36  1.84   -0.60  0.48   
1 1 1 22 14 5  o 16.109  0.5028 11.103  96.900    -19.07 0.45   -9.93  -0.01  
1 1 1 22 14 6  f 31.347  0.5952 33.392  85.400    -1.94  4.37   0.31   0.42   
1 1 1 22 14 7  o 32.866  0.3081 29.529  -171.6000 -1.83  -6.66  4.14   -1.34  
1 1 1 22 14 8  o 10.113  0.3144 14.390  -78.0000  2.54   -0.85  -0.58  0.37   
1 1 1 22 14 9  o 8.7453  0.1387 11.037  -92.9000  -0.16  -0.03  -0.02  -0.01  
1 1 1 22 14 10 f 8.1404  0.4001 2.8651  100.700   2.47   -0.31  -0.42  0.08   
1 1 1 22 14 11 o 24.284  0.3519 21.447  -174.8000 -3.29  2.61   -0.43  1.05   
1 1 1 22 14 12 o 34.332  0.2127 37.664  138.500   -0.33  1.86   0.70   -0.12  
1 1 1 22 14 13 o 15.414  0.1725 14.430  -127.5000 -2.80  0.32   -1.92  1.14   
1 1 1 22 14 14 o 14.159  0.2486 16.182  -54.0000  -0.67  -1.29  0.20   -0.18  
1 1 1 22 14 15 o 15.241  0.1500 17.278  152.300   0.21   0.07   -0.03  0.00   
1 1 1 22 14 16 o 13.695  0.1566 18.478  -119.6000 0.38   -1.08  0.05   0.97   
1 1 1 22 14 17 o 14.452  0.2556 13.365  88.100    0.28   1.89   0.57   0.24   
1 1 1 22 14 18 o 5.9463  0.2948 4.1954  147.300   -0.36  -0.32  -0.03  -0.05  
1 1 1 22 14 19 o 5.6771  0.3364 5.5662  -54.2000  0.07   0.13   -0.02  -0.02  
1 1 1 22 14 20 o 18.451  0.2904 16.026  -42.1000  1.25   -3.74  1.41   -0.43  
1 1 1 22 14 21 o 11.526  0.2467 10.518  -130.7000 -0.69  -1.80  0.54   0.09   
1 1 1 22 14 22 o 5.9616  0.3547 7.2590  24.100    0.63   0.96   0.22   -0.07  
1 1 1 22 14 23 o 18.403  0.2751 17.812  -151.2000 -0.97  0.53   0.08   0.03   
1 1 1 22 14 24 o 9.7216  0.3112 ?       ?         0.22   0.32   -0.02  0.01   
1 1 1 22 14 25 o 4.2342  0.9781 ?       ?         -0.60  0.07   0.03   -0.02  
1 1 1 22 14 26 o 5.1352  1.3302 ?       ?         -0.38  -0.09  0.01   -0.00  
1 1 1 22 15 0  o 22.100  0.2129 23.054  -179.9000 0.08   0.00   0.00   0.00   
1 1 1 22 15 1  o 24.579  0.7770 22.768  -95.0000  14.18  -13.24 -0.78  6.08   
1 1 1 22 15 2  o 13.148  0.4881 18.914  120.100   7.59   8.32   0.21   -3.81  
1 1 1 22 15 3  o 30.486  0.5574 40.995  68.300    2.97   5.76   0.63   -1.09  
1 1 1 22 15 4  o 44.131  0.2110 55.510  -154.8000 0.37   -1.04  -0.19  1.16   
1 1 1 22 15 5  o 33.820  0.4981 27.670  -119.2000 -2.00  -2.80  0.20   -0.40  
1 1 1 22 15 6  o 36.626  0.7294 27.722  49.000    0.10   11.43  2.18   0.20   
1 1 1 22 15 7  o 29.802  0.1831 33.179  -120.5000 1.58   -1.28  0.40   1.30   
1 1 1 22 15 8  o 20.623  0.1487 25.299  -172.3000 0.03   -0.17  -0.33  0.15   
1 1 1 22 15 9  f 32.316  0.3279 29.012  -148.8000 3.91   -2.46  -0.32  2.14   
1 1 1 22 15 10 o 30.813  0.2561 30.067  62.800    3.38   -0.70  -1.12  0.94   
1 1 1 22 15 11 o 20.674  0.1340 13.163  -128.6000 -0.18  -0.38  0.10   -0.04  
1 1 1 22 15 12 o 36.353  0.1870 38.099  89.200    0.19   -0.16  0.01   0.02   
1 1 1 22 15 13 o 23.394  0.4856 25.016  -152.6000 -2.25  1.99   -0.10  0.32   
1 1 1 22 15 14 f 15.224  0.1458 15.581  -128.4000 1.62   -1.68  -0.54  1.58   
1 1 1 22 15 15 o 26.622  0.2506 24.653  -171.4000 -1.76  -2.77  1.23   -0.78  
1 1 1 22 15 16 f 15.822  0.1764 16.411  -56.9000  -0.79  0.50   -0.61  0.07   
1 1 1 22 15 17 o 15.945  0.2840 13.306  -128.2000 0.00   -1.62  0.26   0.18   
1 1 1 22 15 18 o 14.012  0.2404 18.186  -177.8000 -0.94  0.31   -0.04  0.16   
1 1 1 22 15 19 o 12.550  0.5180 13.745  29.000    4.71   2.74   -0.24  -0.99  
1 1 1 22 15 20 o 8.1422  0.3743 7.2361  -138.6000 -0.53  0.22   -0.01  0.03   
1 1 1 22 15 21 o 8.3494  0.2540 9.3374  -168.2000 -1.03  0.45   0.82   0.47   
1 1 1 22 15 22 o 5.5185  0.4503 6.4915  79.200    0.91   0.05   -0.08  0.06   
1 1 1 22 15 23 o 7.0983  0.6011 6.7448  -73.4000  -1.25  -1.41  -0.15  -0.17  
1 1 1 22 15 24 o 7.7605  0.4015 ?       ?         0.27   -0.43  -0.00  -0.04  
1 1 1 22 15 25 o 6.2465  0.6988 ?       ?         0.07   -0.72  -0.03  -0.01  
1 1 1 22 15 26 f 5.0348  1.7263 ?       ?         -0.23  0.70   0.00   -0.03  
1 1 1 22 16 0  o 57.694  0.4207 52.746  -0.0000   0.12   0.00   0.00   0.00   
1 1 1 22 16 1  o 15.413  0.3855 13.886  -81.0000  7.52   3.22   -3.25  -2.93  
1 1 1 22 16 2  o 34.601  0.7306 40.031  168.800   -2.72  7.61   1.01   0.66   
1 1 1 22 16 3  o 6.5613  0.3492 6.4803  97.400    -0.35  6.30   2.17   0.18   
1 1 1 22 16 4  o 20.714  0.2578 11.271  -38.8000  0.94   -1.48  0.11   0.37   
1 1 1 22 16 5  o 32.755  0.4977 34.000  -59.4000  8.66   -4.05  -2.29  2.07   
1 1 1 22 16 6  o 11.599  0.1307 6.6823  46.300    0.78   -0.70  -0.12  0.43   
1 1 1 22 16 7  o 26.020  0.4834 24.139  -98.3000  2.35   -2.24  -0.10  0.48   
1 1 1 22 16 8  o 35.823  0.2296 33.610  61.300    -0.29  1.37   0.23   0.26   
1 1 1 22 16 9  o 9.5025  0.3001 14.202  -151.1000 -3.62  0.48   -1.48  0.25   
1 1 1 22 16 10 o 42.199  0.6882 42.350  58.400    -1.17  8.12   1.27   0.64   
1 1 1 22 16 11 o 33.952  0.1795 31.215  -89.1000  -0.30  -0.22  -0.17  0.24   
1 1 1 22 16 12 o 23.542  0.2777 27.299  25.500    0.53   2.31   0.45   -0.37  
1 1 1 22 16 13 o 20.801  0.1766 18.876  54.000    -0.18  -0.21  -0.08  0.33   
1 1 1 22 16 14 o 7.5515  0.1997 6.1173  163.500   -0.78  0.94   -0.02  0.52   
1 1 1 22 16 15 o 21.635  0.5181 18.821  131.600   -6.38  3.39   -1.20  1.10   
1 1 1 22 16 16 o 34.036  0.2503 35.719  -12.5000  1.02   1.03   0.22   -0.11  
1 1 1 22 16 17 o 19.418  0.1845 22.332  16.100    0.57   0.01   -0.04  -0.07  
1 1 1 22 16 18 o 11.308  0.2079 10.261  98.100    -0.27  0.60   0.24   -0.07  
1 1 1 22 16 19 o 16.646  0.1756 17.201  -161.4000 -0.32  -0.10  0.10   0.03   
1 1 1 22 16 20 o 14.220  0.1836 13.882  72.600    0.23   0.39   -0.06  -0.03  
1 1 1 22 16 21 o 5.2315  0.5738 4.4958  -18.3000  -0.01  1.00   0.07   0.05   
1 1 1 22 16 22 o 17.208  0.2435 18.147  -159.4000 -2.36  -0.84  0.43   -0.48  
1 1 1 22 16 23 o 6.6675  0.5496 6.1783  42.800    -0.23  1.04   0.07   -0.03  
1 1 1 22 16 24 o 11.701  0.3843 ?       ?         0.02   0.84   -0.05  -0.02  
1 1 1 22 16 25 o 5.6255  1.3623 ?       ?         -0.53  0.87   0.03   -0.04  
1 1 1 22 16 26 o 17.007  0.6609 ?       ?         1.17   -1.14  0.01   -0.02  
1 1 1 22 17 0  o 43.911  0.3614 46.671  180.000   0.10   0.00   0.00   0.00   
1 1 1 22 17 1  o 49.974  0.9054 61.707  -146.7000 -8.56  -4.11  -0.70  -1.27  
1 1 1 22 17 2  f 32.534  0.2318 24.627  152.300   -2.93  -0.48  -1.26  -0.93  
1 1 1 22 17 3  o 25.035  0.1840 13.884  1.7000    0.06   -0.61  0.08   -0.00  
1 1 1 22 17 4  o 60.700  0.5677 60.935  -32.1000  6.00   -0.82  -1.53  -0.16  
1 1 1 22 17 5  o 27.884  0.7425 36.784  -122.5000 -0.44  -16.48 3.76   -0.48  
1 1 1 22 17 6  o 46.423  0.4059 41.082  -159.4000 -4.81  4.27   -1.79  2.82   
1 1 1 22 17 7  f 16.097  0.3365 24.801  -25.4000  1.01   -0.54  -0.07  0.08   
1 1 1 22 17 8  o 33.348  0.6169 28.338  144.400   -7.00  -0.84  -1.13  -0.46  
1 1 1 22 17 9  o 18.635  0.3811 16.886  52.200    2.11   0.63   -0.28  -0.26  
1 1 1 22 17 10 f 27.383  0.1634 32.207  -89.4000  -1.06  0.09   -0.56  0.55   
1 1 1 22 17 11 o 7.2830  0.3137 6.3877  2.2000    1.12   0.86   -0.08  -0.22  
1 1 1 22 17 12 o 35.165  0.1867 30.812  58.100    0.62   1.49   0.73   0.02   
1 1 1 22 17 13 o 24.269  0.1633 19.442  -38.1000  -0.06  0.46   -0.41  -0.52  
1 1 1 22 17 14 o 5.6427  0.6378 6.9773  -19.9000  4.13   0.03   -0.65  -0.06  
1 1 1 22 17 15 o 10.723  0.1809 7.7663  54.300    0.17   -0.05  -0.03  -0.00  
1 1 1 22 17 16 o 9.5498  0.2003 9.2432  175.600   -0.22  -0.09  0.24   0.15   
1 1 1 22 17 17 o 16.824  0.2553 13.573  -142.0000 -1.22  -0.54  -0.02  -0.23  
1 1 1 22 17 18 o 11.570  0.2139 12.972  60.100    -1.03  0.13   -0.20  -0.07  
1 1 1 22 17 19 o 6.4466  0.3003 8.1855  0.0000    0.04   -0.21  -0.02  0.05   
1 1 1 22 17 20 o 5.4031  0.3672 5.1158  -162.8000 0.19   0.06   0.06   0.04   
1 1 1 22 17 21 o 8.8026  0.2829 10.444  116.800   -0.23  0.52   0.05   -0.01  
1 1 1 22 17 22 o 4.7257  0.4892 5.2545  21.400    0.09   0.01   -0.00  -0.00  
1 1 1 22 17 23 o 5.8169  0.5146 8.0460  -109.7000 0.35   -0.95  0.08   -0.03  
1 1 1 22 17 24 o 4.0916  1.2844 ?       ?         -0.29  0.43   0.02   0.01   
1 1 1 22 17 25 o 4.7159  2.1764 ?       ?         0.38   0.18   -0.01  0.01   
1 1 1 22 17 26 o 6.5158  0.9384 ?       ?         -0.61  0.67   -0.00  -0.02  
1 1 1 22 18 0  f 23.573  0.3983 14.190  180.000   -0.23  0.00   0.00   0.00   
1 1 1 22 18 1  o 19.682  0.6088 20.128  93.400    -5.47  7.36   0.42   1.80   
1 1 1 22 18 2  o 22.902  0.4322 29.076  -59.5000  -1.49  -2.27  0.18   -0.31  
1 1 1 22 18 3  o 16.835  0.1421 32.378  109.800   -2.46  0.29   -1.89  0.09   
1 1 1 22 18 4  o 8.4116  0.1035 9.9911  -64.7000  0.31   -0.47  0.86   0.94   
1 1 1 22 18 5  o 17.190  0.3884 21.358  -150.1000 -4.24  -1.90  -0.92  -0.83  
1 1 1 22 18 6  o 55.342  0.2516 48.513  0.0000    -0.09  1.00   0.09   0.29   
1 1 1 22 18 7  o 43.938  0.4645 38.870  -166.8000 2.19   2.76   0.31   -0.53  
1 1 1 22 18 8  o 40.323  0.3162 34.485  -2.9000   1.65   0.56   -0.15  -0.32  
1 1 1 22 18 9  o 28.522  0.6060 25.199  -79.3000  4.83   -9.27  1.12   2.08   
1 1 1 22 18 10 o 43.715  0.4806 46.209  29.000    1.24   2.96   0.51   -0.20  
1 1 1 22 18 11 o 21.414  0.2241 23.466  -3.3000   0.88   0.15   -0.10  -0.07  
1 1 1 22 18 12 o 13.502  0.1778 13.111  -47.2000  -0.41  -0.83  1.32   -0.24  
1 1 1 22 18 13 o 11.309  0.1537 13.640  39.600    0.36   0.87   1.35   -0.18  
1 1 1 22 18 14 o 31.856  0.1813 31.238  -132.4000 0.11   0.22   0.02   0.02   
1 1 1 22 18 15 o 19.813  0.1756 20.262  90.600    -0.30  -0.20  0.06   0.22   
1 1 1 22 18 16 o 11.002  0.5634 13.758  101.100   -5.08  5.84   -0.06  1.78   
1 1 1 22 18 17 o 16.550  0.1893 18.550  142.000   -2.22  -0.51  -0.31  -1.07  
1 1 1 22 18 18 o 9.9336  0.2284 8.1673  -72.9000  -0.03  -0.01  0.00   -0.00  
1 1 1 22 18 19 o 8.7922  0.2432 8.7179  113.400   0.02   0.07   -0.00  -0.00  
1 1 1 22 18 20 o 4.2806  0.4319 4.3443  -2.9000   -0.05  -0.40  0.04   0.03   
1 1 1 22 18 21 o 6.9666  0.3304 6.9418  78.100    -0.11  0.54   -0.15  0.09   
1 1 1 22 18 22 o 14.049  0.4843 14.365  80.800    -1.89  0.80   0.06   0.20   
1 1 1 22 18 23 o 3.5965  0.6221 4.2528  39.300    -0.24  0.23   -0.03  -0.03  
1 1 1 22 18 24 o 7.6078  0.5063 ?       ?         0.44   -0.43  -0.02  -0.03  
1 1 1 22 18 25 o 8.8830  0.5088 ?       ?         0.79   -0.31  0.01   -0.03  
1 1 1 22 18 26 o 6.9422  1.4332 ?       ?         0.19   0.35   0.00   0.00   
1 1 1 22 19 0  o 44.918  0.4191 41.218  0.1000    0.53   0.00   0.00   0.00   
1 1 1 22 19 1  o 24.724  0.3891 28.220  70.300    0.21   3.67   0.99   0.08   
1 1 1 22 19 2  o 11.026  0.4008 5.1951  85.000    1.18   3.44   0.64   -0.43  
1 1 1 22 19 3  o 17.228  0.4476 15.073  15.500    8.18   -6.77  -0.44  3.55   
1 1 1 22 19 4  o 15.282  0.1384 25.389  64.000    2.33   -0.41  -2.02  1.47   
1 1 1 22 19 5  o 25.174  0.3039 22.279  29.600    0.48   0.71   0.04   -0.06  
1 1 1 22 19 6  o 15.339  0.7127 15.297  102.700   -8.70  11.06  0.74   2.56   
1 1 1 22 19 7  o 37.171  0.4925 37.633  -28.3000  2.76   -1.12  -0.32  0.19   
1 1 1 22 19 8  o 32.238  0.4978 30.781  -143.6000 -3.00  -5.69  1.36   -1.24  
1 1 1 22 19 9  o 19.815  0.1415 23.316  -97.0000  -0.50  -0.44  0.07   -0.26  
1 1 1 22 19 10 o 10.781  0.6696 9.4601  14.200    6.30   4.22   -0.48  -1.01  
1 1 1 22 19 11 o 7.0783  0.1908 6.4706  -126.9000 -0.56  -0.99  0.14   -0.32  
1 1 1 22 19 12 o 18.324  0.5573 18.707  -62.1000  -4.18  -6.55  0.49   -1.72  
1 1 1 22 19 13 o 8.9905  0.5521 5.9308  4.7000    9.96   -6.01  -1.73  2.80   
1 1 1 22 19 14 o 12.231  0.5077 14.818  114.100   0.19   2.95   0.28   0.00   
1 1 1 22 19 15 o 17.085  0.1535 17.706  -77.4000  2.19   -0.20  -1.26  -0.69  
1 1 1 22 19 16 o 15.130  0.1842 13.850  -163.8000 -1.04  0.66   0.30   0.41   
1 1 1 22 19 17 o 18.862  0.1613 16.748  136.000   -1.12  0.17   -0.22  -0.33  
1 1 1 22 19 18 o 11.649  0.1948 7.8379  -144.2000 0.80   -0.36  -0.31  -0.05  
1 1 1 22 19 19 o 11.769  0.2145 13.246  112.500   0.29   2.17   0.31   -0.86  
1 1 1 22 19 20 o 1.8974  0.6862 3.4837  13.000    0.10   -0.05  -0.01  -0.03  
1 1 1 22 19 21 o 9.4317  0.2663 11.306  55.900    1.61   0.68   -0.58  0.47   
1 1 1 22 19 22 o 9.1829  0.2926 10.249  -173.3000 0.05   0.20   -0.01  0.01   
1 1 1 22 19 23 o 6.6344  0.4137 6.8035  102.700   -0.89  0.44   -0.12  -0.10  
1 1 1 22 19 24 o 2.8303  0.8631 ?       ?         0.13   -0.14  0.00   -0.01  
1 1 1 22 19 25 o 6.1098  1.9503 ?       ?         -0.21  0.11   0.00   0.00   
1 1 1 22 19 26 o 7.9470  1.5009 ?       ?         0.61   0.79   0.02   -0.00  
1 1 1 22 20 0  o 26.974  0.3784 24.942  180.000   -0.01  0.00   0.00   0.00   
1 1 1 22 20 1  o 41.505  0.3035 50.267  -173.0000 -0.66  0.66   0.16   0.18   
1 1 1 22 20 2  o 29.977  0.1944 30.614  50.600    1.52   -0.38  -0.67  1.78   
1 1 1 22 20 3  o 24.599  0.2022 21.037  52.500    -1.76  3.12   0.57   2.96   
1 1 1 22 20 4  o 46.151  0.2366 33.202  78.100    0.68   -0.49  -0.12  0.08   
1 1 1 22 20 5  o 17.267  0.1659 17.888  -16.0000  1.60   3.20   6.81   -3.88  
1 1 1 22 20 6  o 32.420  0.1954 39.009  69.100    -0.20  -0.45  -0.91  0.14   
1 1 1 22 20 7  o 31.606  0.3991 27.614  0.1000    0.79   -1.88  0.13   0.25   
1 1 1 22 20 8  o 30.460  0.2379 26.780  -163.3000 0.42   -4.18  2.05   1.15   
1 1 1 22 20 9  o 15.982  0.4723 19.945  -155.5000 -1.49  -2.45  0.16   -0.25  
1 1 1 22 20 10 o 17.407  0.4824 22.770  86.800    -0.79  12.18  4.52   0.14   
1 1 1 22 20 11 o 7.7953  0.1807 10.395  -41.8000  -0.04  0.04   -0.00  0.01   
1 1 1 22 20 12 f 15.108  0.5936 14.379  -79.7000  6.66   -13.94 3.35   3.43   
1 1 1 22 20 13 o 3.6727  0.3621 5.1301  27.600    0.78   -0.04  -0.13  0.03   
1 1 1 22 20 14 o 7.8278  0.2014 7.4780  48.000    0.08   -0.14  0.01   0.01   
1 1 1 22 20 15 o 22.222  0.3582 24.888  151.400   -0.65  3.84   0.90   -0.14  
1 1 1 22 20 16 o 19.198  0.2905 19.825  154.800   -1.26  -0.02  -0.12  -0.11  
1 1 1 22 20 17 o 8.4648  0.2325 5.1855  95.000    -0.62  -0.22  -0.13  -0.00  
1 1 1 22 20 18 f 7.0088  0.3934 4.1488  -86.9000  0.59   -1.30  0.17   0.09   
1 1 1 22 20 19 o 8.9530  0.2557 7.8125  -64.2000  -0.30  -0.39  0.11   0.01   
1 1 1 22 20 20 o 11.317  0.2342 11.610  120.800   0.13   1.54   0.16   -0.31  
1 1 1 22 20 21 o 8.7792  0.2671 7.3546  56.300    -0.92  0.26   0.41   -0.01  
1 1 1 22 20 22 o 8.4464  0.6990 8.2181  -4.3000   2.53   0.50   -0.11  -0.24  
1 1 1 22 20 23 o 5.9474  0.4722 ?       ?         0.53   0.04   0.07   -0.01  
1 1 1 22 20 24 o 3.3615  0.8202 ?       ?         -0.10  0.31   -0.02  -0.01  
1 1 1 22 20 25 o 5.1027  0.8379 ?       ?         0.23   -0.26  0.00   -0.01  
1 1 1 22 20 26 o 4.8778  1.3102 ?       ?         0.35   0.31   -0.00  0.01   
1 1 1 22 21 0  f 33.196  0.4693 31.039  -179.9000 -0.38  0.00   0.00   0.00   
1 1 1 22 21 1  o 9.1676  0.3377 20.264  52.000    0.93   1.92   0.39   -0.39  
1 1 1 22 21 2  o 41.764  0.2995 41.651  -137.7000 -2.21  -1.65  -1.57  -0.76  
1 1 1 22 21 3  o 8.8952  0.6879 6.2555  -20.8000  18.87  -4.87  -5.40  3.20   
1 1 1 22 21 4  o 11.920  0.4084 11.724  -165.9000 -1.75  3.56   0.40   0.59   
1 1 1 22 21 5  f 14.903  0.1233 18.183  67.500    -0.69  0.70   0.19   0.56   
1 1 1 22 21 6  o 14.777  0.2832 16.530  -156.1000 -6.08  4.13   -1.31  5.67   
1 1 1 22 21 7  o 32.208  0.1869 30.125  -72.7000  1.87   0.03   -1.07  -1.08  
1 1 1 22 21 8  o 33.933  0.1811 33.514  103.100   0.40   0.68   0.59   -0.04  
1 1 1 22 21 9  o 4.9681  0.2128 6.7537  -57.9000  0.27   -0.05  -0.17  0.14   
1 1 1 22 21 10 o 15.797  0.1450 10.341  82.100    0.48   -0.34  0.81   0.93   
1 1 1 22 21 11 o 14.987  0.1990 14.282  93.500    -0.66  0.69   0.05   0.17   
1 1 1 22 21 12 o 16.094  0.5253 17.950  124.300   1.80   11.54  2.66   -1.18  
1 1 1 22 21 13 o 8.7583  0.2648 7.1976  92.500    -0.13  2.68   0.97   -0.11  
1 1 1 22 21 14 o 16.952  0.1629 18.555  44.600    1.39   -0.97  0.17   0.76   
1 1 1 22 21 15 o 15.972  0.2548 13.942  165.100   -0.83  -0.21  -0.05  -0.07  
1 1 1 22 21 16 o 6.3939  0.3545 6.6443  -81.4000  -0.42  -1.21  0.11   -0.17  
1 1 1 22 21 17 o 19.187  0.2705 20.484  -12.3000  1.47   -2.66  0.84   0.30   
1 1 1 22 21 18 o 10.508  0.2119 12.149  57.000    0.77   0.58   -0.22  -0.07  
1 1 1 22 21 19 o 5.1212  0.3710 6.3928  -90.9000  0.19   -0.24  -0.02  0.02   
1 1 1 22 21 20 o 8.2186  0.2738 6.8969  -119.3000 -0.27  -0.42  -0.08  -0.03  
1 1 1 22 21 21 o 5.9571  0.3328 7.0889  -21.2000  -0.69  0.16   0.10   -0.29  
1 1 1 22 21 22 o 4.1416  0.5707 5.5810  19.000    -0.31  0.38   0.04   0.01   
1 1 1 22 21 23 o 5.3338  0.6222 ?       ?         -0.48  0.13   0.03   -0.01  
1 1 1 22 21 24 o 5.5658  0.6471 ?       ?         0.26   0.35   -0.01  0.01   
1 1 1 22 21 25 f 8.8047  0.6276 ?       ?         0.65   0.32   -0.00  0.01   
1 1 1 22 21 26 o 2.7407  1.6921 ?       ?         0.05   -0.64  -0.02  -0.01  
1 1 1 22 22 0  o 30.511  0.4712 36.959  -0.0000   -0.03  0.00   0.00   0.00   
1 1 1 22 22 1  o 3.5637  0.6041 4.8411  -89.7000  0.00   0.01   0.00   0.00   
1 1 1 22 22 2  o 4.0125  0.5632 6.2829  0.5000    0.02   0.00   0.00   0.00   
1 1 1 22 22 3  o 33.174  0.2795 39.385  89.900    -0.00  -0.38  0.00   0.00   
1 1 1 22 22 4  o 6.3482  0.1762 13.322  -179.8000 -0.01  0.00   0.00   0.00   
1 1 1 22 22 5  o 19.157  0.1759 13.317  -90.0000  0.00   0.08   0.00   0.00   
1 1 1 22 22 6  o 27.632  0.2244 23.309  179.900   0.29   0.00   0.00   0.00   
1 1 1 22 22 7  o 19.455  0.2110 26.974  89.900    0.00   0.21   0.00   0.00   
1 1 1 22 22 8  o 26.696  0.2192 18.208  -0.2000   0.32   0.00   0.00   0.00   
1 1 1 22 22 9  o 25.446  0.2683 20.071  90.000    0.00   0.21   0.00   0.00   
1 1 1 22 22 10 o 11.933  0.2784 14.956  180.000   -0.30  0.00   0.00   0.00   
1 1 1 22 22 11 o 22.751  0.2543 13.262  -90.0000  0.00   0.26   0.00   0.00   
1 1 1 22 22 12 o 0.0000  2.0000 3.4648  -0.5000   0.00   0.00   0.00   0.00   
1 1 1 22 22 13 o 13.465  0.2192 13.843  -90.0000  -0.00  -0.25  0.00   0.00   
1 1 1 22 22 14 o 13.664  0.2409 16.026  -180.0000 -0.07  0.00   0.00   0.00   
1 1 1 22 22 15 o 17.835  0.2406 16.691  -90.0000  -0.00  -0.06  0.00   0.00   
1 1 1 22 22 16 o 13.096  0.2730 10.009  0.0000    -0.06  0.00   0.00   0.00   
1 1 1 22 22 17 o 11.247  0.2733 12.978  -90.0000  0.00   0.18   0.00   0.00   
1 1 1 22 22 18 o 2.8983  0.6598 4.4003  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 22 22 19 o 6.2129  0.4839 7.2904  -90.0000  -0.00  -0.15  0.00   0.00   
1 1 1 22 22 20 o 2.8983  0.7890 2.8688  180.000   -0.01  0.00   0.00   0.00   
1 1 1 22 22 21 o 9.3915  0.4467 8.1130  -90.0000  -0.00  -0.46  0.00   0.00   
1 1 1 22 22 22 o 3.1623  0.8377 4.4312  -0.0000   0.29   0.00   0.00   0.00   
1 1 1 22 22 23 o 3.6742  0.9968 ?       ?         0.00   0.11   0.00   0.00   
1 1 1 22 22 24 o 14.272  0.5137 ?       ?         -0.96  0.00   0.00   0.00   
1 1 1 22 22 25 o 8.1915  0.9267 ?       ?         -0.00  -0.08  0.00   0.00   
1 1 1 22 22 26 o 14.488  1.0046 ?       ?         -1.08  0.00   0.00   0.00   
1 1 1 23 0  1  o 49.093  0.3388 43.636  -135.0000 -0.18  -0.18  0.00   0.00   
1 1 1 23 0  2  o 73.759  0.4574 68.934  0.0000    0.03   0.00   0.00   0.00   
1 1 1 23 0  3  o 40.524  0.2709 46.841  135.000   0.11   -0.11  0.00   0.00   
1 1 1 23 0  4  o 40.483  0.3575 24.076  -90.2000  -0.00  -0.34  0.00   0.00   
1 1 1 23 0  5  o 24.751  0.1765 19.895  45.000    0.12   0.12   0.00   0.00   
1 1 1 23 0  6  o 14.068  0.1755 13.236  180.000   0.01   0.00   0.00   0.00   
1 1 1 23 0  7  o 27.366  0.2678 20.754  -45.0000  -0.22  0.22   0.00   0.00   
1 1 1 23 0  8  o 53.471  0.3502 48.301  90.100    0.00   0.08   0.00   0.00   
1 1 1 23 0  9  o 13.096  0.2289 16.307  45.000    -0.02  -0.02  0.00   0.00   
1 1 1 23 0  10 o 1.9235  0.5780 4.7745  -179.8000 -0.00  0.00   0.00   0.00   
1 1 1 23 0  11 o 49.356  0.3201 42.708  135.000   -0.17  0.17   0.00   0.00   
1 1 1 23 0  12 o 13.476  0.2046 10.758  90.300    0.00   0.12   0.00   0.00   
1 1 1 23 0  13 o 51.152  0.3273 53.332  45.000    -0.00  -0.00  0.00   0.00   
1 1 1 23 0  14 o 17.430  0.2321 14.918  -179.9000 -0.10  0.00   0.00   0.00   
1 1 1 23 0  15 o 11.014  0.2399 13.713  135.000   -0.02  0.02   0.00   0.00   
1 1 1 23 0  16 o 32.027  0.3062 32.670  90.000    0.00   0.40   0.00   0.00   
1 1 1 23 0  17 o 5.2915  0.4432 0.2062  -136.0000 0.02   0.02   0.00   0.00   
1 1 1 23 0  18 o 16.044  0.2365 16.916  -0.0000   0.10   0.00   0.00   0.00   
1 1 1 23 0  19 o 5.3572  0.4623 3.0910  -45.0000  0.07   -0.07  0.00   0.00   
1 1 1 23 0  20 o 19.170  0.2726 18.464  90.000    0.00   0.02   0.00   0.00   
1 1 1 23 0  21 o 10.124  0.3529 11.050  45.000    -0.33  -0.33  0.00   0.00   
1 1 1 23 0  22 o 6.0828  0.4716 6.4377  -180.0000 -0.01  0.00   0.00   0.00   
1 1 1 23 0  23 o 11.207  0.2997 11.532  135.000   -0.19  0.19   0.00   0.00   
1 1 1 23 0  24 o 4.4944  0.7367 2.5123  -90.0000  0.00   0.05   0.00   0.00   
1 1 1 23 0  25 o 3.9623  0.9610 ?       ?         -0.14  -0.14  0.00   0.00   
1 1 1 23 1  0  o 41.114  0.2754 44.890  -0.0000   0.30   0.00   0.00   0.00   
1 1 1 23 1  1  o 29.650  0.2277 23.956  -101.8000 3.44   -2.94  -0.19  3.60   
1 1 1 23 1  2  o 35.705  0.2574 30.751  -165.9000 -1.82  2.11   0.34   1.19   
1 1 1 23 1  3  o 47.397  0.2357 48.610  -25.2000  0.07   -0.01  -0.01  0.01   
1 1 1 23 1  4  o 65.145  0.2775 66.817  29.900    0.43   -0.60  -0.05  0.19   
1 1 1 23 1  5  o 33.617  0.3315 45.469  40.600    -4.66  6.41   2.01   4.50   
1 1 1 23 1  6  o 32.204  0.3352 27.221  36.500    0.47   1.22   0.13   -0.08  
1 1 1 23 1  7  o 35.509  0.1722 32.610  -62.3000  0.48   -0.20  -0.29  0.01   
1 1 1 23 1  8  o 24.748  0.1608 17.995  99.600    -0.21  0.15   -0.11  -1.10  
1 1 1 23 1  9  o 7.7511  0.1943 4.0781  -139.2000 0.10   2.39   1.22   -0.19  
1 1 1 23 1  10 o 15.912  0.3544 20.106  128.300   -3.54  1.63   -0.89  0.83   
1 1 1 23 1  11 o 6.9176  0.1830 5.3876  109.700   -0.22  -0.25  -0.01  -0.10  
1 1 1 23 1  12 o 23.520  0.1551 17.926  -48.2000  -0.07  0.14   -0.01  0.05   
1 1 1 23 1  13 o 42.870  0.4860 41.927  -79.7000  2.49   -2.98  0.44   0.71   
1 1 1 23 1  14 f 16.223  0.1434 18.867  -69.9000  -1.15  -0.17  -1.36  0.45   
1 1 1 23 1  15 o 27.832  0.1570 22.584  16.600    -0.08  0.34   -0.31  -0.23  
1 1 1 23 1  16 o 13.092  0.4446 11.062  -60.0000  0.58   -5.07  1.21   0.50   
1 1 1 23 1  17 f 21.000  0.3623 22.812  2.8000    1.08   3.43   0.71   -0.20  
1 1 1 23 1  18 f 23.893  0.2104 23.235  -152.5000 -0.69  0.17   -0.08  -0.06  
1 1 1 23 1  19 o 15.148  0.2360 14.258  10.800    0.71   0.83   0.14   -0.13  
1 1 1 23 1  20 o 9.8504  0.2330 9.8716  -53.2000  0.78   -0.54  0.97   0.43   
1 1 1 23 1  21 o 15.537  0.1994 16.520  178.100   -1.19  -0.87  0.52   -0.28  
1 1 1 23 1  22 o 14.631  0.2411 12.974  97.100    -0.78  -0.56  0.12   -0.07  
1 1 1 23 1  23 o 5.0577  0.4121 3.6499  4.2000    -0.65  -0.01  0.08   0.27   
1 1 1 23 1  24 o 11.924  0.3824 12.960  139.700   0.73   0.38   -0.05  0.01   
1 1 1 23 1  25 o 5.4016  0.5874 ?       ?         0.04   0.45   -0.04  -0.01  
1 1 1 23 2  0  f 51.442  0.3514 17.001  -0.0000   0.16   0.00   0.00   0.00   
1 1 1 23 2  1  o 26.582  0.2528 34.913  30.300    0.96   0.94   0.02   -0.28  
1 1 1 23 2  2  o 87.205  0.5939 78.589  -120.9000 -5.28  1.34   -1.39  1.48   
1 1 1 23 2  3  f 33.383  0.1564 28.792  48.700    0.14   -0.77  0.47   0.34   
1 1 1 23 2  4  o 64.945  0.9664 61.057  -127.2000 -8.65  -12.14 1.53   -3.14  
1 1 1 23 2  5  o 10.792  0.2291 10.690  178.700   -2.30  -1.10  -0.50  -0.58  
1 1 1 23 2  6  o 51.895  0.2432 54.742  37.200    2.10   -0.90  -0.31  1.04   
1 1 1 23 2  7  f 33.784  0.1749 44.142  -13.9000  0.80   0.54   -0.19  -0.20  
1 1 1 23 2  8  o 11.346  0.6447 12.100  -65.4000  -16.84 -11.05 -3.24  -6.92  
1 1 1 23 2  9  o 67.192  0.3043 65.801  -41.2000  0.30   0.10   0.01   0.09   
1 1 1 23 2  10 o 23.898  0.5356 29.769  -7.7000   6.23   -2.23  -1.11  1.15   
1 1 1 23 2  11 o 64.186  0.3267 51.906  32.700    3.86   -0.21  -1.07  1.83   
1 1 1 23 2  12 o 17.688  0.1474 14.335  145.400   0.44   -0.35  0.09   0.36   
1 1 1 23 2  13 o 12.905  0.6070 16.358  176.600   -4.93  -1.35  -0.61  -0.42  
1 1 1 23 2  14 o 16.933  0.1465 14.239  -164.3000 -0.02  -0.45  0.15   0.99   
1 1 1 23 2  15 o 10.561  0.1771 5.6565  -140.3000 0.48   -0.51  -0.05  0.20   
1 1 1 23 2  16 o 33.174  0.1883 35.382  144.100   -2.42  -0.26  -0.41  -1.76  
1 1 1 23 2  17 o 22.199  0.1704 19.841  -173.7000 0.25   -0.19  -0.08  -0.01  
1 1 1 23 2  18 o 13.124  0.3443 10.646  -139.4000 -1.31  -1.59  -0.09  -0.39  
1 1 1 23 2  19 o 9.4350  0.3846 8.7456  -14.3000  -1.41  -0.16  -0.16  0.01   
1 1 1 23 2  20 o 14.069  0.1960 12.785  -33.1000  0.61   0.09   -0.04  -0.08  
1 1 1 23 2  21 o 15.797  0.1925 17.561  18.700    0.58   -0.34  0.24   -0.07  
1 1 1 23 2  22 o 9.8725  0.2601 9.3339  46.400    0.39   0.35   0.08   0.16   
1 1 1 23 2  23 o 5.9890  0.3823 5.1241  110.200   0.02   0.29   -0.02  -0.04  
1 1 1 23 2  24 o 7.7543  0.3585 6.6611  -28.2000  -0.19  -0.05  0.00   -0.01  
1 1 1 23 2  25 o 10.136  0.3944 ?       ?         -0.62  -1.67  -0.12  -0.19  
1 1 1 23 2  26 o 5.2058  1.5659 ?       ?         -0.34  0.53   0.00   0.00   
1 1 1 23 3  0  o 63.815  0.3801 45.600  0.0000    0.21   0.00   0.00   0.00   
1 1 1 23 3  1  o 76.575  0.4615 82.510  -13.5000  -0.75  -3.04  0.88   -0.17  
1 1 1 23 3  2  o 13.637  0.1423 22.410  -63.9000  2.74   1.10   -2.76  -2.28  
1 1 1 23 3  3  o 65.899  0.2853 57.964  78.900    0.58   1.23   -2.79  -4.04  
1 1 1 23 3  4  o 30.123  0.2274 4.9040  -156.5000 -3.56  3.44   0.65   4.82   
1 1 1 23 3  5  o 39.015  0.7165 29.486  -90.5000  19.61  -14.69 -3.52  9.82   
1 1 1 23 3  6  o 14.377  0.1693 6.6030  155.000   -1.65  -0.86  -0.67  -0.74  
1 1 1 23 3  7  o 11.168  0.2172 14.479  2.0000    2.06   -0.59  -0.70  0.35   
1 1 1 23 3  8  o 53.895  0.8576 56.745  -47.1000  10.19  -1.23  -1.85  0.83   
1 1 1 23 3  9  o 12.240  0.1604 5.4608  113.900   -2.05  2.09   -0.31  2.62   
1 1 1 23 3  10 o 21.461  0.7321 17.550  -131.0000 -5.53  -4.76  -0.22  -0.97  
1 1 1 23 3  11 f 25.143  0.3565 13.314  -95.9000  0.37   -2.87  0.75   0.02   
1 1 1 23 3  12 o 5.1192  0.2288 3.1018  37.000    -0.07  -0.51  0.52   -0.28  
1 1 1 23 3  13 o 17.740  0.1460 16.681  40.400    0.00   -0.12  -0.19  -0.01  
1 1 1 23 3  14 o 18.413  0.2588 14.859  94.900    -0.52  1.62   0.29   0.37   
1 1 1 23 3  15 o 24.512  0.2214 17.175  68.800    0.37   -0.42  -0.01  0.05   
1 1 1 23 3  16 o 27.056  0.1557 28.189  -59.9000  1.52   -0.43  -1.08  -0.65  
1 1 1 23 3  17 o 21.679  0.1653 24.378  55.200    -0.40  0.15   0.19   -0.28  
1 1 1 23 3  18 o 9.9420  0.2131 9.8265  154.700   -0.10  0.19   0.05   -0.02  
1 1 1 23 3  19 o 25.006  0.1689 24.750  173.400   -0.43  0.08   0.05   -0.09  
1 1 1 23 3  20 o 12.767  0.2039 10.565  -164.5000 -1.26  -1.09  0.37   -0.53  
1 1 1 23 3  21 o 10.370  0.2838 8.7716  58.400    -0.89  1.43   -0.09  0.40   
1 1 1 23 3  22 o 10.414  0.4314 10.020  -115.8000 0.43   -1.16  0.02   0.12   
1 1 1 23 3  23 o 7.7816  0.3159 7.9298  -12.6000  0.24   0.29   -0.06  0.01   
1 1 1 23 3  24 o 6.8013  0.4150 5.6834  -49.2000  0.14   -0.43  0.02   -0.05  
1 1 1 23 3  25 o 7.5604  0.5114 ?       ?         -0.59  -0.56  0.05   0.00   
1 1 1 23 3  26 o 0.0000  3.8859 ?       ?         -0.09  -0.05  0.00   0.00   
1 1 1 23 4  0  o 8.2523  0.1604 8.4904  180.000   0.01   0.00   0.00   0.00   
1 1 1 23 4  1  o 42.246  0.3969 41.416  124.900   -6.59  -0.17  -2.88  -0.44  
1 1 1 23 4  2  o 72.469  0.3226 69.979  -3.7000   0.39   -0.04  0.76   -0.22  
1 1 1 23 4  3  o 85.771  0.9939 66.940  -92.5000  3.19   -8.15  0.90   1.29   
1 1 1 23 4  4  o 47.619  0.2149 34.750  57.300    2.00   0.25   -3.21  1.02   
1 1 1 23 4  5  o 70.008  0.2944 67.704  -42.9000  -1.04  -0.61  -0.70  -0.20  
1 1 1 23 4  6  o 24.348  0.3253 12.485  -58.5000  -0.29  -3.73  1.14   -0.05  
1 1 1 23 4  7  o 16.097  0.4577 17.560  84.700    -0.74  10.69  3.99   0.78   
1 1 1 23 4  8  o 44.197  0.2282 53.475  58.900    -0.19  0.06   0.01   0.04   
1 1 1 23 4  9  o 42.084  0.2310 44.931  -133.8000 -0.17  -1.35  0.39   0.14   
1 1 1 23 4  10 o 28.892  0.1804 28.100  139.300   -0.90  -0.68  2.15   -1.73  
1 1 1 23 4  11 o 9.1105  0.2874 5.9808  173.400   -0.71  0.67   -0.02  0.13   
1 1 1 23 4  12 o 14.904  0.1451 8.0337  -69.4000  0.04   0.07   0.00   -0.01  
1 1 1 23 4  13 o 12.440  0.2546 15.251  -109.6000 2.40   -1.04  -0.60  0.89   
1 1 1 23 4  14 o 46.245  0.4057 50.226  -56.1000  -0.81  -5.83  1.70   -1.74  
1 1 1 23 4  15 o 17.951  0.1761 14.340  -16.5000  -0.17  -0.78  0.85   0.52   
1 1 1 23 4  16 o 28.399  0.3884 28.195  -29.6000  3.35   1.77   -0.17  -0.93  
1 1 1 23 4  17 o 18.727  0.5408 15.884  -162.5000 -6.54  2.94   -0.66  1.11   
1 1 1 23 4  18 o 15.158  0.1666 12.547  -171.0000 -0.24  -0.26  0.12   0.12   
1 1 1 23 4  19 o 15.900  0.1842 18.608  120.500   -0.57  0.51   -0.22  -0.70  
1 1 1 23 4  20 o 11.116  0.2144 10.243  -119.2000 -0.35  -0.14  -0.08  0.18   
1 1 1 23 4  21 o 2.6787  0.5983 2.4502  71.300    0.06   -0.08  0.02   -0.03  
1 1 1 23 4  22 o 4.4774  0.4345 4.3192  -146.8000 -0.07  -0.29  0.02   0.01   
1 1 1 23 4  23 o 11.030  0.4900 10.238  119.700   -0.53  -0.33  -0.02  -0.01  
1 1 1 23 4  24 o 4.1573  0.5838 4.3860  85.100    -0.34  0.50   -0.05  0.04   
1 1 1 23 4  25 o 2.4642  0.9615 ?       ?         0.08   0.03   0.00   0.00   
1 1 1 23 4  26 o 2.1448  2.1094 ?       ?         0.66   0.17   0.00   0.00   
1 1 1 23 5  0  o 91.589  0.5346 66.770  -180.0000 -0.58  0.00   0.00   0.00   
1 1 1 23 5  1  o 46.920  0.2046 36.330  -10.7000  0.11   0.02   0.05   -0.12  
1 1 1 23 5  2  o 20.154  0.3148 18.566  -158.4000 -5.91  -3.80  -2.08  -4.01  
1 1 1 23 5  3  o 76.923  0.8830 61.156  38.000    8.86   -2.86  -1.32  1.39   
1 1 1 23 5  4  o 21.729  0.1708 15.443  -139.0000 -0.39  0.53   -0.11  1.11   
1 1 1 23 5  5  f 29.179  0.4421 25.674  -174.6000 -0.50  4.31   0.90   0.32   
1 1 1 23 5  6  o 19.242  0.3364 24.281  -9.1000   -3.24  -4.49  0.94   -2.18  
1 1 1 23 5  7  o 30.219  0.6271 35.018  -9.1000   9.77   3.37   -2.07  -2.01  
1 1 1 23 5  8  o 14.766  0.4139 8.6750  -16.0000  3.61   -1.47  -0.50  0.43   
1 1 1 23 5  9  o 59.444  0.3556 53.133  -77.8000  1.75   -2.16  -0.41  0.81   
1 1 1 23 5  10 o 19.700  0.1432 19.958  58.500    0.01   -0.07  0.01   -0.00  
1 1 1 23 5  11 o 18.077  0.5480 18.385  45.900    7.56   5.61   -1.18  -2.87  
1 1 1 23 5  12 f 32.695  0.4653 24.892  -109.9000 1.40   -6.48  1.79   0.46   
1 1 1 23 5  13 o 17.031  0.1529 16.677  -162.4000 0.41   -0.25  -0.18  0.11   
1 1 1 23 5  14 o 23.852  0.1910 26.022  -164.0000 0.70   0.28   -0.13  -0.04  
1 1 1 23 5  15 o 51.717  0.3747 50.269  -127.9000 -2.61  -0.42  -0.46  0.22   
1 1 1 23 5  16 o 15.623  0.2617 15.415  166.900   -1.74  0.13   -0.40  -0.06  
1 1 1 23 5  17 o 8.9097  0.8624 12.527  -170.8000 -8.91  -5.86  -0.50  -1.45  
1 1 1 23 5  18 o 15.269  0.1690 15.220  23.300    0.14   -0.02  0.01   0.02   
1 1 1 23 5  19 o 13.816  0.2756 13.686  101.700   -2.02  1.14   0.05   0.76   
1 1 1 23 5  20 f 12.793  0.5029 11.133  154.300   -2.34  3.63   0.54   0.59   
1 1 1 23 5  21 o 10.047  0.3018 9.1106  39.200    -0.09  0.58   0.04   -0.02  
1 1 1 23 5  22 o 14.886  0.2021 16.391  121.800   0.21   0.09   0.01   0.01   
1 1 1 23 5  23 o 12.258  0.2104 11.637  134.900   -0.29  0.63   -0.17  -0.05  
1 1 1 23 5  24 o 4.7906  0.4852 5.1182  78.700    -0.01  0.28   0.01   -0.01  
1 1 1 23 5  25 o 4.4266  0.7019 ?       ?         0.04   -0.13  -0.00  -0.00  
1 1 1 23 6  0  o 112.472 0.6300 82.908  -0.0000   0.58   0.00   0.00   0.00   
1 1 1 23 6  1  o 31.549  0.2777 31.783  149.000   0.98   0.37   -0.11  -0.12  
1 1 1 23 6  2  o 89.421  0.3641 78.814  122.800   -1.21  0.24   -0.93  -0.97  
1 1 1 23 6  3  o 56.701  0.5327 51.138  102.100   -5.02  4.03   -0.67  1.67   
1 1 1 23 6  4  o 43.542  0.8200 40.988  -137.9000 -17.05 -7.87  -2.99  -3.99  
1 1 1 23 6  5  o 16.057  0.3558 33.437  85.900    4.41   1.21   -1.20  -0.61  
1 1 1 23 6  6  o 20.467  0.1970 20.290  153.100   -2.77  -4.88  2.80   -7.35  
1 1 1 23 6  7  o 36.940  0.3388 34.619  136.300   -3.31  -1.38  -0.58  -0.93  
1 1 1 23 6  8  o 23.760  0.1660 15.734  93.100    -0.04  0.77   0.67   -0.35  
1 1 1 23 6  9  o 29.022  0.1699 33.011  167.300   0.19   -0.63  0.66   -0.40  
1 1 1 23 6  10 o 24.596  1.0853 24.747  -50.9000  15.42  -15.52 -0.16  3.52   
1 1 1 23 6  11 o 28.995  0.1605 37.231  -92.3000  -1.58  -0.65  -2.37  0.03   
1 1 1 23 6  12 o 23.614  0.6145 19.124  -117.3000 -6.53  -0.74  -1.11  -0.14  
1 1 1 23 6  13 o 18.435  0.4091 23.136  177.500   -5.57  4.68   -0.11  2.84   
1 1 1 23 6  14 o 38.406  0.9606 39.688  -149.3000 -16.81 0.03   -3.29  -0.54  
1 1 1 23 6  15 o 13.302  0.2125 14.755  46.000    1.75   1.23   -0.39  -0.61  
1 1 1 23 6  16 o 12.468  0.1688 12.949  -45.0000  0.48   -0.35  0.06   0.23   
1 1 1 23 6  17 o 3.0818  0.5558 2.4532  145.300   -0.35  0.73   0.04   0.08   
1 1 1 23 6  18 o 17.041  0.1984 12.605  85.200    -0.29  1.17   -0.25  0.68   
1 1 1 23 6  19 o 4.9405  0.3603 3.0881  95.300    0.49   -0.08  -0.09  0.18   
1 1 1 23 6  20 o 10.215  0.5213 11.528  -101.4000 1.58   -2.25  0.03   0.31   
1 1 1 23 6  21 o 5.0053  0.3860 3.4771  -179.4000 0.13   0.10   -0.02  0.00   
1 1 1 23 6  22 o 3.7934  0.5067 3.5148  5.6000    -0.16  0.15   0.02   0.01   
1 1 1 23 6  23 o 6.8082  0.3559 7.1255  -48.5000  -0.49  -0.13  0.15   0.05   
1 1 1 23 6  24 o 4.6290  0.6357 3.5032  87.700    -0.27  0.69   -0.01  0.06   
1 1 1 23 6  25 f 6.7636  0.5172 ?       ?         0.04   0.29   -0.01  -0.00  
1 1 1 23 6  26 o 3.2253  1.3627 ?       ?         -0.27  -0.10  0.00   0.01   
1 1 1 23 7  0  f 110.616 0.6350 97.831  180.000   -0.39  0.00   0.00   0.00   
1 1 1 23 7  1  o 56.661  0.2415 56.065  -160.3000 -1.35  1.14   0.13   0.89   
1 1 1 23 7  2  o 74.425  0.4575 79.013  -75.0000  -7.30  -5.91  -3.57  -5.85  
1 1 1 23 7  3  f 22.950  0.3298 28.699  29.300    5.88   5.82   0.19   -4.14  
1 1 1 23 7  4  o 49.295  0.3134 44.416  42.100    3.56   -1.49  -0.87  1.36   
1 1 1 23 7  5  o 29.632  0.6531 26.221  158.700   -14.92 6.05   -4.18  3.51   
1 1 1 23 7  6  o 30.296  0.4683 21.900  104.400   3.80   5.03   0.30   -2.04  
1 1 1 23 7  7  o 43.863  0.5098 33.970  -94.5000  4.43   -2.11  -0.49  0.96   
1 1 1 23 7  8  o 46.438  0.4435 45.983  -66.1000  7.60   0.41   -3.11  -1.26  
1 1 1 23 7  9  o 16.127  0.3996 16.209  -177.0000 -0.27  3.05   0.55   0.16   
1 1 1 23 7  10 o 41.554  0.2017 43.876  151.700   -2.13  -1.33  0.27   -1.74  
1 1 1 23 7  11 o 27.072  0.2399 30.841  -110.5000 -0.22  0.55   0.06   0.03   
1 1 1 23 7  12 o 20.531  0.2612 25.268  16.900    3.41   -1.65  -0.75  1.33   
1 1 1 23 7  13 o 17.352  0.3356 18.507  -24.5000  0.74   -1.50  0.11   0.19   
1 1 1 23 7  14 o 9.9356  0.2163 10.417  54.200    0.56   1.15   0.25   -0.23  
1 1 1 23 7  15 o 22.934  0.1975 24.997  77.200    -1.49  0.85   -0.06  0.55   
1 1 1 23 7  16 o 25.091  0.2361 25.494  169.400   -2.52  -2.07  0.60   -1.47  
1 1 1 23 7  17 o 11.399  0.2215 10.607  16.900    1.16   -0.96  -0.23  0.36   
1 1 1 23 7  18 o 8.8412  0.2224 9.7478  -28.5000  0.07   0.11   -0.05  0.02   
1 1 1 23 7  19 o 8.5860  0.7059 8.5858  174.500   -5.53  -0.01  -0.78  -0.13  
1 1 1 23 7  20 o 4.2953  0.4210 3.0986  18.000    0.20   0.51   0.20   0.05   
1 1 1 23 7  21 o 4.7184  0.3939 5.3625  110.200   0.38   0.50   -0.08  -0.13  
1 1 1 23 7  22 o 4.4240  0.4474 4.1168  -148.3000 0.26   0.13   0.05   0.10   
1 1 1 23 7  23 o 9.4453  0.2781 9.6249  -56.9000  0.27   -0.44  0.03   -0.09  
1 1 1 23 7  24 o 5.1885  0.4853 6.1062  104.100   -0.33  -0.06  0.05   0.01   
1 1 1 23 7  25 o 6.0331  1.0979 ?       ?         0.58   0.06   -0.01  0.01   
1 1 1 23 7  26 o 5.9445  1.2654 ?       ?         0.18   -0.11  0.00   -0.00  
1 1 1 23 8  0  o 45.866  0.2806 42.112  -179.9000 0.22   0.00   0.00   0.00   
1 1 1 23 8  1  o 61.805  0.3634 73.547  -14.5000  1.60   -2.71  0.21   1.07   
1 1 1 23 8  2  o 38.093  0.7249 49.817  44.800    12.63  0.34   -2.66  -0.30  
1 1 1 23 8  3  o 35.530  0.1937 39.133  -84.7000  2.73   -0.29  -1.49  0.63   
1 1 1 23 8  4  o 49.236  0.7116 40.118  -160.6000 -15.42 0.50   -4.87  0.77   
1 1 1 23 8  5  o 23.847  0.3682 21.061  10.600    3.75   1.27   -0.99  -0.59  
1 1 1 23 8  6  o 30.898  0.2169 23.360  -40.0000  1.80   1.47   0.11   -1.11  
1 1 1 23 8  7  o 18.662  0.1840 16.623  -118.7000 1.62   -1.97  -0.00  1.78   
1 1 1 23 8  8  o 34.256  0.2885 29.262  55.900    -0.56  2.19   0.40   0.37   
1 1 1 23 8  9  o 34.117  0.5299 29.433  33.800    1.96   7.77   2.80   -0.80  
1 1 1 23 8  10 o 26.770  0.1710 25.365  132.100   0.33   -0.40  -0.04  0.13   
1 1 1 23 8  11 o 11.371  0.3662 10.362  -117.9000 -1.73  -1.75  0.06   -0.51  
1 1 1 23 8  12 o 32.314  0.3884 33.472  -113.9000 -2.00  -1.81  0.11   -0.52  
1 1 1 23 8  13 o 38.149  0.2275 33.275  -119.7000 0.75   -1.10  -0.25  0.53   
1 1 1 23 8  14 o 5.3397  0.6648 4.0179  2.5000    3.57   0.93   -0.46  -0.23  
1 1 1 23 8  15 o 20.977  0.1446 20.627  154.400   -0.18  -0.04  -0.04  0.03   
1 1 1 23 8  16 o 10.845  0.1946 7.7847  -177.2000 -0.29  0.12   -0.01  0.03   
1 1 1 23 8  17 o 24.650  0.2352 25.921  21.100    0.58   -1.13  0.22   0.04   
1 1 1 23 8  18 o 7.6252  0.3557 7.7786  91.000    -0.95  0.60   -0.10  0.10   
1 1 1 23 8  19 o 9.5108  0.2240 9.4526  99.600    0.28   0.36   0.39   0.23   
1 1 1 23 8  20 o 21.314  0.1912 20.601  -118.6000 0.57   -0.10  0.09   -0.08  
1 1 1 23 8  21 o 12.165  0.2064 11.711  114.700   -0.23  0.45   -0.12  -0.16  
1 1 1 23 8  22 o 2.7928  0.5872 2.1134  -159.4000 0.04   -0.20  0.00   0.03   
1 1 1 23 8  23 o 11.010  0.2451 11.540  101.100   0.38   0.96   -0.28  -0.08  
1 1 1 23 8  24 o 6.1425  0.4411 4.5851  -77.0000  0.46   -0.04  0.07   0.02   
1 1 1 23 8  25 o 9.2428  0.6109 ?       ?         -0.82  0.60   0.04   0.02   
1 1 1 23 8  26 o 5.4816  0.9448 ?       ?         0.04   -0.60  -0.01  0.01   
1 1 1 23 9  0  o 12.830  0.1350 37.859  0.0000    0.09   0.00   0.00   0.00   
1 1 1 23 9  1  o 53.054  0.2452 53.464  46.900    1.35   -0.70  1.31   3.41   
1 1 1 23 9  2  o 50.235  0.2207 60.152  -70.4000  -3.64  -1.60  -3.57  -1.91  
1 1 1 23 9  3  o 40.876  0.6520 44.620  -13.4000  10.50  3.35   -2.01  -1.65  
1 1 1 23 9  4  f 39.821  0.4693 22.406  112.600   -1.75  2.18   0.15   0.36   
1 1 1 23 9  5  o 22.441  0.4681 19.642  57.700    1.01   6.45   1.49   -0.60  
1 1 1 23 9  6  o 50.307  0.2790 46.098  160.500   -1.80  2.29   -0.28  1.24   
1 1 1 23 9  7  o 41.088  0.7344 38.744  53.200    0.92   8.10   1.25   -0.11  
1 1 1 23 9  8  o 16.808  0.1570 14.328  114.700   1.75   1.12   -1.20  -1.50  
1 1 1 23 9  9  o 22.288  0.2343 27.319  66.000    -1.35  0.42   -0.25  0.28   
1 1 1 23 9  10 o 55.396  0.2520 51.138  177.300   -1.16  -0.21  -0.06  -0.50  
1 1 1 23 9  11 o 20.485  0.3484 20.060  157.600   -0.98  -3.66  0.76   -0.33  
1 1 1 23 9  12 o 29.085  0.1804 30.782  -156.0000 -1.26  1.23   0.61   0.92   
1 1 1 23 9  13 o 44.595  0.3323 43.385  13.500    2.57   -1.09  -0.20  0.72   
1 1 1 23 9  14 o 14.740  0.2705 18.506  -96.9000  2.87   -2.72  -0.42  1.64   
1 1 1 23 9  15 o 26.534  0.1902 21.722  -94.8000  -0.28  0.32   0.13   0.04   
1 1 1 23 9  16 o 10.219  0.1706 11.130  174.500   -0.00  -0.16  0.03   -0.03  
1 1 1 23 9  17 o 18.539  0.2481 19.964  -129.8000 -1.15  -0.20  -0.17  0.03   
1 1 1 23 9  18 o 11.010  0.6050 11.129  -26.6000  2.58   -4.95  0.67   0.64   
1 1 1 23 9  19 o 8.0933  0.3206 7.4319  160.300   -0.34  -1.83  0.33   -0.29  
1 1 1 23 9  20 o 11.134  0.2110 11.304  -23.6000  0.56   0.26   0.27   -0.13  
1 1 1 23 9  21 o 12.231  0.2149 11.505  110.300   -0.40  0.60   0.19   -0.10  
1 1 1 23 9  22 o 6.0432  0.3592 6.9812  28.600    0.10   0.56   0.06   0.15   
1 1 1 23 9  23 o 10.372  0.2707 11.564  112.900   -0.01  -1.07  -0.13  0.28   
1 1 1 23 9  24 o 8.2799  0.7778 8.7011  -81.3000  1.51   -1.75  0.12   0.12   
1 1 1 23 9  25 o 8.9983  0.5312 ?       ?         0.88   1.07   -0.13  0.06   
1 1 1 23 9  26 o 6.8986  0.9394 ?       ?         -0.38  -0.21  0.00   0.01   
1 1 1 23 10 0  o 27.212  0.2061 32.402  0.1000    -0.17  0.00   0.00   0.00   
1 1 1 23 10 1  o 41.611  0.1922 45.383  -105.8000 -0.81  -0.86  0.17   -0.44  
1 1 1 23 10 2  o 44.282  0.2026 46.964  -138.5000 -4.01  3.19   0.34   6.35   
1 1 1 23 10 3  o 55.114  0.2377 60.954  5.8000    0.02   -0.39  -0.14  -0.32  
1 1 1 23 10 4  o 38.813  0.7514 27.756  60.900    5.21   5.40   0.14   -1.05  
1 1 1 23 10 5  o 22.018  0.5516 9.9560  -2.5000   6.55   -0.46  -1.19  0.10   
1 1 1 23 10 6  o 39.588  0.9165 45.576  46.400    -0.73  22.19  5.75   0.91   
1 1 1 23 10 7  o 22.656  0.7868 15.149  -91.2000  2.73   -16.38 3.21   1.29   
1 1 1 23 10 8  o 26.730  0.2948 30.708  -133.1000 -4.34  -3.05  -1.84  -2.73  
1 1 1 23 10 9  f 33.858  0.1892 33.909  -99.1000  1.39   -0.46  -0.25  0.52   
1 1 1 23 10 10 o 9.0750  0.1883 5.4423  -160.9000 -1.19  -0.58  -0.27  -0.47  
1 1 1 23 10 11 o 26.396  0.4819 31.763  153.500   -1.70  5.88   1.05   0.88   
1 1 1 23 10 12 o 22.784  0.1409 18.445  -153.4000 -0.07  -0.32  0.14   0.07   
1 1 1 23 10 13 f 28.139  0.2042 24.138  125.000   0.07   -0.00  0.00   0.01   
1 1 1 23 10 14 o 27.521  0.1643 28.654  -168.2000 -0.45  -0.02  0.35   0.39   
1 1 1 23 10 15 o 26.171  0.1602 27.301  116.300   0.12   0.62   -0.56  -0.23  
1 1 1 23 10 16 o 10.571  0.2041 9.3637  137.300   -1.25  -0.17  -0.63  -0.66  
1 1 1 23 10 17 o 13.628  0.1671 12.082  -125.5000 -0.59  -0.40  0.65   -0.35  
1 1 1 23 10 18 o 22.208  0.1663 23.055  -2.2000   0.21   0.33   0.03   0.11   
1 1 1 23 10 19 o 5.1912  0.4930 4.2526  94.600    -1.59  1.48   0.08   0.43   
1 1 1 23 10 20 o 8.9956  0.2931 10.796  -88.3000  0.44   -0.77  0.12   0.05   
1 1 1 23 10 21 o 3.2362  0.9513 3.7709  -79.1000  1.04   -0.32  -0.12  0.04   
1 1 1 23 10 22 o 5.6777  0.3593 4.5700  -162.4000 0.34   0.13   -0.05  0.04   
1 1 1 23 10 23 o 10.036  0.2913 8.7424  -22.1000  0.37   0.51   0.07   0.10   
1 1 1 23 10 24 o 5.9021  0.4496 5.4960  1.8000    -0.84  -0.37  -0.12  0.13   
1 1 1 23 10 25 o 4.1239  1.0425 ?       ?         -0.09  -0.12  -0.00  0.00   
1 1 1 23 10 26 o 0.0000  5.0498 ?       ?         -0.19  0.20   0.00   0.00   
1 1 1 23 11 0  o 44.023  0.3225 46.844  180.000   0.23   0.00   0.00   0.00   
1 1 1 23 11 1  o 26.910  0.5861 25.646  121.100   -0.86  12.42  3.34   0.31   
1 1 1 23 11 2  o 56.856  0.5529 49.499  -122.6000 -3.57  -4.89  0.72   -1.39  
1 1 1 23 11 3  o 29.753  0.4297 34.696  -96.1000  -4.39  -1.64  -0.76  -0.85  
1 1 1 23 11 4  o 39.562  0.2055 37.628  31.900    0.39   -0.25  -0.04  0.04   
1 1 1 23 11 5  o 32.686  0.1671 35.398  -51.6000  -0.26  -0.61  0.04   -0.40  
1 1 1 23 11 6  o 46.452  0.2303 55.753  56.500    1.61   0.21   -0.53  0.12   
1 1 1 23 11 7  o 30.614  0.8547 26.150  -138.9000 -6.58  -23.34 5.88   -3.05  
1 1 1 23 11 8  o 16.044  0.1266 16.108  133.600   -0.68  -0.41  0.27   -1.51  
1 1 1 23 11 9  o 24.538  0.1488 22.473  137.100   0.22   -0.33  -0.03  0.14   
1 1 1 23 11 10 o 10.230  0.2565 13.694  -20.0000  -1.95  -3.28  0.86   -2.15  
1 1 1 23 11 11 o 31.513  0.8894 27.427  -63.9000  -0.25  -19.45 3.97   -0.44  
1 1 1 23 11 12 o 9.2855  0.1619 10.934  158.300   0.10   -0.11  -0.01  0.03   
1 1 1 23 11 13 o 60.585  0.2799 62.614  65.600    -1.28  1.91   -0.52  0.50   
1 1 1 23 11 14 o 33.438  0.1786 34.176  62.000    0.30   0.22   0.05   -0.05  
1 1 1 23 11 15 o 4.0223  0.3415 5.0473  -67.3000  0.14   -0.14  -0.04  0.07   
1 1 1 23 11 16 o 12.587  0.3105 14.379  -5.7000   -0.45  0.44   0.01   0.04   
1 1 1 23 11 17 o 9.3561  0.2043 11.525  -146.5000 -0.34  -0.14  -0.08  -0.01  
1 1 1 23 11 18 o 7.6289  0.2494 8.6148  -124.9000 -0.11  0.04   0.05   -0.04  
1 1 1 23 11 19 o 11.122  0.2006 10.014  103.600   -0.09  -0.21  0.02   0.11   
1 1 1 23 11 20 f 8.1882  0.2597 10.715  22.700    0.16   0.40   0.09   0.21   
1 1 1 23 11 21 o 8.4539  0.2730 6.4221  -70.1000  0.68   0.22   -0.11  0.03   
1 1 1 23 11 22 o 3.4125  0.5711 2.7686  138.400   -0.20  -0.01  0.04   -0.02  
1 1 1 23 11 23 o 11.435  0.2664 12.358  -74.1000  0.76   -0.24  0.11   0.05   
1 1 1 23 11 24 o 8.5643  0.3479 10.047  25.500    1.09   0.14   0.03   0.23   
1 1 1 23 11 25 o 12.554  0.4368 ?       ?         -1.31  -1.37  0.04   0.12   
1 1 1 23 11 26 o 3.4785  2.0852 ?       ?         -0.34  0.05   0.00   0.00   
1 1 1 23 12 0  o 27.494  0.1878 16.522  -0.0000   0.04   0.00   0.00   0.00   
1 1 1 23 12 1  o 82.753  0.8411 68.748  83.000    3.77   10.14  3.14   -1.10  
1 1 1 23 12 2  o 17.994  0.4517 9.0638  -153.4000 -3.20  7.01   1.43   1.85   
1 1 1 23 12 3  o 61.773  0.2645 62.936  -112.3000 -0.32  -1.11  0.51   0.18   
1 1 1 23 12 4  o 70.853  0.3023 77.277  153.300   -0.46  0.73   -0.81  -0.41  
1 1 1 23 12 5  o 15.896  0.2760 15.695  145.900   -0.12  4.57   1.99   -0.08  
1 1 1 23 12 6  o 60.202  0.2702 64.135  129.100   -0.11  1.96   0.61   -1.99  
1 1 1 23 12 7  o 18.812  0.6942 18.294  -170.3000 -6.37  14.34  2.32   2.82   
1 1 1 23 12 8  o 8.8238  0.3450 10.436  -23.5000  4.93   0.70   -2.06  -0.77  
1 1 1 23 12 9  o 30.439  0.1581 28.608  -24.3000  -0.91  -0.50  0.09   -0.77  
1 1 1 23 12 10 o 16.036  0.3682 22.839  -131.2000 -2.24  -0.16  -0.37  -0.01  
1 1 1 23 12 11 o 18.497  0.1373 17.778  -35.9000  -0.17  -0.13  -0.41  0.06   
1 1 1 23 12 12 o 15.127  0.3893 16.210  38.900    -5.87  3.52   -1.39  2.04   
1 1 1 23 12 13 o 24.611  0.1821 19.304  -90.7000  0.46   0.14   -0.23  0.46   
1 1 1 23 12 14 o 14.270  0.3223 15.036  -41.2000  0.45   -3.82  1.18   0.08   
1 1 1 23 12 15 o 10.365  0.2505 9.7521  119.100   0.37   1.46   0.29   -0.28  
1 1 1 23 12 16 o 4.8079  0.3042 3.7046  39.500    0.41   0.13   -0.03  -0.04  
1 1 1 23 12 17 o 14.577  0.1659 14.289  -168.5000 -0.39  0.13   0.24   0.02   
1 1 1 23 12 18 o 5.9431  0.5589 4.1467  -141.1000 -1.11  1.59   0.12   0.19   
1 1 1 23 12 19 o 9.8713  0.3259 9.5909  33.500    -0.86  0.55   -0.00  0.11   
1 1 1 23 12 20 o 15.005  0.1814 15.623  176.700   -0.67  0.51   0.26   0.04   
1 1 1 23 12 21 o 5.6657  0.3393 5.7944  42.900    0.22   0.04   0.08   0.03   
1 1 1 23 12 22 o 9.5898  0.2343 9.1224  81.400    -0.07  0.47   -0.05  -0.12  
1 1 1 23 12 23 o 5.6517  0.4595 5.1011  158.000   0.05   -0.35  0.00   0.02   
1 1 1 23 12 24 o 6.4398  0.4397 ?       ?         -0.27  0.46   -0.01  -0.05  
1 1 1 23 12 25 o 5.1733  0.9738 ?       ?         0.37   0.15   0.01   -0.00  
1 1 1 23 12 26 o 8.1211  0.9953 ?       ?         0.62   0.58   -0.01  0.01   
1 1 1 23 13 0  o 32.712  0.2758 38.327  0.0000    0.33   0.00   0.00   0.00   
1 1 1 23 13 1  o 44.462  0.2445 42.854  136.300   -3.41  -0.64  -1.55  -1.39  
1 1 1 23 13 2  o 9.1812  0.1178 8.4722  -146.5000 1.04   0.76   -0.80  -1.57  
1 1 1 23 13 3  o 29.724  0.1443 19.476  115.600   -1.21  0.73   -1.41  0.99   
1 1 1 23 13 4  o 24.195  1.0605 27.292  -169.8000 -19.70 -18.89 -0.00  -5.30  
1 1 1 23 13 5  o 12.598  0.4912 12.491  109.600   6.82   3.36   -1.00  -1.42  
1 1 1 23 13 6  o 26.447  0.2821 27.004  -74.5000  -0.99  -5.07  2.15   -1.35  
1 1 1 23 13 7  o 20.080  0.1884 11.134  86.900    -1.77  1.85   0.55   1.65   
1 1 1 23 13 8  o 53.602  0.2557 51.154  -163.0000 -0.04  -0.09  0.00   0.01   
1 1 1 23 13 9  o 16.702  0.3920 13.247  -154.5000 -6.63  2.73   -1.66  1.98   
1 1 1 23 13 10 o 15.511  0.1663 20.752  -24.9000  0.09   0.01   -0.01  -0.01  
1 1 1 23 13 11 o 18.987  0.1848 12.362  155.100   -0.85  1.24   -0.00  0.68   
1 1 1 23 13 12 o 52.612  0.5004 50.831  70.100    2.58   6.58   2.28   -0.70  
1 1 1 23 13 13 o 30.380  0.1773 30.739  143.600   -1.14  0.27   -0.39  -0.09  
1 1 1 23 13 14 o 22.496  0.1481 20.576  75.700    0.43   0.11   0.13   0.66   
1 1 1 23 13 15 o 8.3429  0.3663 8.4143  28.400    2.29   -0.08  -0.43  -0.04  
1 1 1 23 13 16 o 10.705  0.4325 6.2967  96.900    -0.66  2.61   0.31   0.11   
1 1 1 23 13 17 o 9.7183  0.5361 10.226  113.500   -2.66  2.14   -0.22  0.45   
1 1 1 23 13 18 o 12.522  0.1872 9.8361  -120.3000 0.12   -0.38  0.09   -0.14  
1 1 1 23 13 19 o 10.288  0.3443 8.6643  -29.3000  2.19   0.45   -0.33  -0.37  
1 1 1 23 13 20 o 3.4684  0.5170 4.3829  -134.2000 -0.31  0.10   0.03   0.10   
1 1 1 23 13 21 o 4.5514  0.4253 4.9470  22.700    -0.00  0.09   -0.00  -0.01  
1 1 1 23 13 22 o 17.067  0.6205 18.822  -96.0000  -3.26  -4.51  0.80   -0.39  
1 1 1 23 13 23 o 10.664  0.3536 10.136  61.600    1.33   1.30   -0.31  -0.11  
1 1 1 23 13 24 o 5.5165  0.6497 ?       ?         -0.10  0.23   0.00   -0.00  
1 1 1 23 13 25 o 6.8376  0.7377 ?       ?         -0.86  -0.29  0.01   0.04   
1 1 1 23 13 26 o 6.9365  0.9335 ?       ?         0.83   0.02   0.02   -0.01  
1 1 1 23 14 0  o 5.0990  0.2341 10.052  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 23 14 1  o 6.5923  0.1367 5.0026  138.000   0.14   -1.16  0.70   0.12   
1 1 1 23 14 2  o 15.547  0.1009 18.352  -65.0000  -0.82  -0.18  -0.83  -0.77  
1 1 1 23 14 3  o 12.018  0.4245 12.812  -86.5000  1.43   -5.77  1.18   0.69   
1 1 1 23 14 4  o 26.682  0.5816 28.281  27.800    17.69  -4.33  -6.37  3.99   
1 1 1 23 14 5  o 50.712  0.2919 47.869  89.800    0.97   1.56   0.38   -0.26  
1 1 1 23 14 6  o 22.635  0.1495 27.224  74.400    -0.31  0.72   0.10   0.21   
1 1 1 23 14 7  o 18.270  0.7132 20.787  103.300   -8.14  14.61  2.33   4.36   
1 1 1 23 14 8  f 48.759  0.3010 48.774  -149.0000 -0.56  -1.14  0.19   -0.07  
1 1 1 23 14 9  o 16.986  0.1350 16.000  121.400   -0.04  -0.21  -0.07  0.51   
1 1 1 23 14 10 o 24.175  0.1538 15.459  -25.3000  -0.14  -0.20  -0.07  -0.10  
1 1 1 23 14 11 o 25.742  0.1791 22.664  -135.9000 -1.47  0.01   -1.18  1.60   
1 1 1 23 14 12 f 9.5903  0.2423 2.5236  -162.5000 -0.29  0.20   -0.01  0.02   
1 1 1 23 14 13 o 26.333  0.2458 24.353  -158.9000 -1.00  -3.60  1.77   -0.24  
1 1 1 23 14 14 o 9.4915  0.4710 7.2106  105.800   -0.52  3.87   0.63   0.11   
1 1 1 23 14 15 o 16.861  0.1801 15.071  133.900   -0.01  0.33   0.04   -0.02  
1 1 1 23 14 16 o 10.216  0.3614 8.1072  146.000   -1.22  -1.17  -0.05  -0.19  
1 1 1 23 14 17 o 8.9430  0.2188 9.0118  13.200    0.68   0.18   -0.07  -0.20  
1 1 1 23 14 18 o 5.2639  0.2960 3.6279  -172.3000 0.17   0.82   0.14   -0.01  
1 1 1 23 14 19 o 7.1038  0.2626 4.2860  52.200    -0.13  0.37   -0.18  0.21   
1 1 1 23 14 20 o 13.529  0.1951 13.802  177.800   0.10   0.03   0.01   0.00   
1 1 1 23 14 21 o 7.8757  0.2671 7.9182  173.100   0.49   0.16   -0.04  0.15   
1 1 1 23 14 22 o 8.1083  0.2702 7.8447  -73.3000  0.08   -0.16  -0.00  -0.02  
1 1 1 23 14 23 o 5.9741  0.4231 6.2038  -158.5000 -0.94  -0.51  0.29   -0.06  
1 1 1 23 14 24 f 5.2099  0.9645 ?       ?         1.08   0.33   -0.06  0.02   
1 1 1 23 14 25 o 7.8277  0.6047 ?       ?         -0.42  -0.38  0.01   0.01   
1 1 1 23 14 26 o 7.6350  0.9851 ?       ?         -0.10  0.86   -0.01  -0.01  
1 1 1 23 15 0  o 10.257  0.2055 8.9011  180.000   -0.09  0.00   0.00   0.00   
1 1 1 23 15 1  o 21.511  0.8556 16.598  155.300   -16.45 -12.69 -1.60  -5.03  
1 1 1 23 15 2  o 31.004  0.7830 29.842  -78.0000  -15.21 -7.12  -2.76  -2.83  
1 1 1 23 15 3  o 22.804  0.3696 19.808  72.700    -3.72  5.91   0.85   2.32   
1 1 1 23 15 4  o 33.710  0.1844 40.279  -59.2000  -0.54  -0.50  0.38   -0.45  
1 1 1 23 15 5  o 14.696  0.1212 13.820  120.100   -0.07  -0.06  0.16   -0.06  
1 1 1 23 15 6  o 19.134  0.1237 15.478  154.100   -0.44  0.72   0.32   0.27   
1 1 1 23 15 7  o 32.908  0.1724 34.093  30.700    0.44   0.82   1.63   1.56   
1 1 1 23 15 8  o 10.614  0.6656 13.492  45.400    2.09   16.29  4.43   -1.00  
1 1 1 23 15 9  o 28.325  0.1648 31.046  14.300    1.40   -0.73  0.63   2.19   
1 1 1 23 15 10 o 27.493  0.1774 25.984  -114.0000 -0.48  0.10   -0.37  -0.32  
1 1 1 23 15 11 o 13.735  0.1811 9.6084  -153.1000 -0.24  -0.20  0.05   1.52   
1 1 1 23 15 12 o 27.059  0.1582 27.139  -104.1000 0.20   0.11   -0.03  0.15   
1 1 1 23 15 13 o 22.544  0.3421 23.112  166.800   -1.31  2.53   0.39   0.34   
1 1 1 23 15 14 o 14.608  0.1411 16.145  -107.6000 -0.15  -0.19  -0.41  0.07   
1 1 1 23 15 15 o 15.820  0.1588 12.509  -6.9000   -0.38  -0.28  -0.05  -0.04  
1 1 1 23 15 16 o 16.510  0.1807 16.529  -97.3000  -0.91  -0.57  0.12   -0.32  
1 1 1 23 15 17 o 4.8081  0.4010 4.2879  174.500   0.60   0.56   -0.03  -0.09  
1 1 1 23 15 18 o 14.681  0.1814 13.425  -107.6000 0.59   -0.32  0.27   0.20   
1 1 1 23 15 19 o 6.9206  0.2956 6.0253  86.300    -0.02  0.74   0.11   -0.09  
1 1 1 23 15 20 o 10.277  0.2322 10.914  114.800   -0.05  0.33   -0.03  -0.07  
1 1 1 23 15 21 o 6.6473  0.3424 7.9468  93.100    0.14   0.29   -0.07  -0.01  
1 1 1 23 15 22 o 5.5016  0.3914 5.2028  -43.3000  0.01   -0.09  0.00   -0.00  
1 1 1 23 15 23 o 8.7474  0.3194 8.7441  -71.9000  0.15   -0.78  -0.10  0.09   
1 1 1 23 15 24 o 11.682  0.3960 ?       ?         -1.07  1.51   0.16   -0.12  
1 1 1 23 15 25 f 11.389  1.1830 ?       ?         1.34   0.45   0.02   -0.03  
1 1 1 23 15 26 o 7.0577  0.9748 ?       ?         0.40   -0.23  -0.00  -0.00  
1 1 1 23 16 0  o 31.183  0.2671 29.456  180.000   0.03   0.00   0.00   0.00   
1 1 1 23 16 1  o 37.951  0.3618 33.955  -107.0000 -2.76  -3.15  0.57   -1.36  
1 1 1 23 16 2  f 45.594  0.2761 36.038  -51.9000  0.87   -0.94  -0.10  0.24   
1 1 1 23 16 3  o 25.943  0.1353 27.870  -113.6000 0.05   -0.07  -0.08  -0.02  
1 1 1 23 16 4  o 39.761  0.2969 33.044  -54.2000  3.16   0.98   -0.69  -0.91  
1 1 1 23 16 5  o 41.145  0.3930 43.791  61.700    -3.10  3.50   -0.19  1.36   
1 1 1 23 16 6  o 55.482  0.2532 55.589  -84.4000  0.73   -1.23  -1.77  -0.97  
1 1 1 23 16 7  o 34.070  0.1733 31.842  11.500    0.31   -0.08  -0.02  0.04   
1 1 1 23 16 8  o 9.8809  0.2105 4.7454  -11.3000  3.30   1.00   -2.04  -1.05  
1 1 1 23 16 9  o 48.590  0.2268 44.973  -42.0000  -0.28  -0.64  -0.26  -0.22  
1 1 1 23 16 10 o 28.548  0.4369 32.075  145.000   2.34   5.36   0.81   -1.23  
1 1 1 23 16 11 o 10.641  0.4817 11.172  138.300   -3.03  3.61   0.18   0.73   
1 1 1 23 16 12 o 25.420  0.2553 21.612  -79.8000  0.04   -0.86  0.09   0.04   
1 1 1 23 16 13 o 19.919  0.1547 22.455  83.000    1.13   -0.04  -0.82  -0.78  
1 1 1 23 16 14 o 30.555  0.1811 27.185  -23.0000  1.45   0.48   -0.53  0.18   
1 1 1 23 16 15 o 5.9691  0.2658 9.2686  -101.1000 0.12   -0.01  -0.01  0.01   
1 1 1 23 16 16 o 4.2263  0.7708 4.5654  -156.7000 -1.52  0.36   -0.09  0.06   
1 1 1 23 16 17 o 18.322  0.3246 16.158  -39.0000  2.25   -0.23  -0.29  0.28   
1 1 1 23 16 18 o 27.202  0.1812 24.813  59.200    2.21   0.82   -0.81  1.05   
1 1 1 23 16 19 f 10.367  0.2114 11.925  10.400    0.81   -0.46  0.15   0.25   
1 1 1 23 16 20 o 6.2089  0.3185 6.5652  -27.5000  0.09   -0.25  0.02   -0.07  
1 1 1 23 16 21 o 9.9085  0.2454 9.9621  -43.4000  0.01   0.83   0.04   -0.13  
1 1 1 23 16 22 o 6.5641  0.3898 5.3860  -167.0000 0.15   0.19   0.01   0.02   
1 1 1 23 16 23 o 15.741  0.2478 15.714  117.400   -0.04  1.41   -0.24  -0.11  
1 1 1 23 16 24 o 6.0623  0.5623 ?       ?         0.93   0.53   -0.07  0.05   
1 1 1 23 16 25 o 10.180  0.5036 ?       ?         -0.21  -0.87  -0.00  0.02   
1 1 1 23 16 26 o 7.4009  3.2861 ?       ?         0.44   -0.10  -0.00  -0.01  
1 1 1 23 17 0  o 22.323  0.2525 14.725  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 23 17 1  o 15.016  0.5568 13.348  85.100    -11.59 12.55  0.23   6.11   
1 1 1 23 17 2  o 29.657  0.4413 28.804  30.600    8.83   3.31   -2.90  -3.64  
1 1 1 23 17 3  o 42.364  0.5034 39.519  67.300    -5.66  -5.42  -0.68  -2.43  
1 1 1 23 17 4  f 54.078  0.2393 42.819  -75.4000  2.19   -0.78  -1.27  -0.09  
1 1 1 23 17 5  o 22.217  0.1296 28.422  -159.5000 -0.20  -0.01  -0.04  0.02   
1 1 1 23 17 6  o 11.477  0.1724 13.724  -112.0000 0.11   -0.34  0.11   0.21   
1 1 1 23 17 7  o 14.604  0.5180 19.417  113.600   1.12   8.61   2.03   -0.41  
1 1 1 23 17 8  o 21.768  0.2477 25.047  -79.7000  -0.86  -0.10  -0.11  -0.06  
1 1 1 23 17 9  o 33.810  0.2578 33.617  126.900   -0.09  1.49   0.30   -0.08  
1 1 1 23 17 10 o 25.542  0.5701 28.956  -71.4000  3.22   -2.66  -0.02  0.49   
1 1 1 23 17 11 o 45.084  0.4122 46.108  133.500   2.56   3.50   -0.14  -1.15  
1 1 1 23 17 12 f 28.345  0.1794 27.236  -121.6000 0.63   -0.41  0.03   0.15   
1 1 1 23 17 13 o 7.9104  0.2037 4.9977  -28.4000  0.25   0.43   0.02   -0.27  
1 1 1 23 17 14 o 24.489  0.1597 21.203  -151.7000 0.30   -2.52  0.94   1.99   
1 1 1 23 17 15 o 10.571  0.1785 9.9486  76.100    -0.01  0.33   0.04   -0.02  
1 1 1 23 17 16 o 7.2378  0.2163 6.3582  114.000   -0.85  0.02   -0.22  -0.11  
1 1 1 23 17 17 o 13.849  0.1969 17.201  -110.9000 -1.21  -0.90  -0.61  -0.25  
1 1 1 23 17 18 o 11.709  0.2577 12.083  15.100    0.65   2.35   0.78   -0.04  
1 1 1 23 17 19 o 8.0485  0.2552 8.9092  -21.7000  0.21   -0.01  0.01   0.04   
1 1 1 23 17 20 o 10.455  0.2289 10.014  144.100   0.20   0.30   -0.06  -0.01  
1 1 1 23 17 21 f 6.0073  0.3387 4.8402  47.100    0.09   -0.32  -0.00  0.03   
1 1 1 23 17 22 o 11.177  0.3200 12.617  -18.4000  1.06   -1.29  0.30   -0.02  
1 1 1 23 17 23 o 4.4122  0.5628 5.2784  -179.0000 0.05   -0.06  0.00   -0.00  
1 1 1 23 17 24 f 6.0194  0.5143 ?       ?         0.09   -0.17  -0.00  -0.00  
1 1 1 23 17 25 o 6.2580  0.8170 ?       ?         0.49   0.77   0.01   0.03   
1 1 1 23 17 26 o 3.0234  1.4811 ?       ?         -0.30  -0.19  -0.00  0.01   
1 1 1 23 18 0  o 33.860  0.2826 53.904  -0.1000   0.06   0.00   0.00   0.00   
1 1 1 23 18 1  o 17.177  0.4124 23.248  160.200   -9.33  -8.82  0.09   -6.17  
1 1 1 23 18 2  o 43.813  0.4837 42.864  -111.7000 7.14   -4.91  -2.44  3.12   
1 1 1 23 18 3  o 14.706  0.1117 14.304  158.800   0.42   0.22   -1.16  -0.27  
1 1 1 23 18 4  o 7.2500  0.1195 8.3340  -104.0000 -1.61  0.35   -1.52  0.43   
1 1 1 23 18 5  o 21.426  0.1801 23.410  144.800   -1.25  1.09   0.15   0.77   
1 1 1 23 18 6  o 25.688  0.4955 25.096  -34.6000  5.90   8.68   1.70   -3.11  
1 1 1 23 18 7  o 23.078  0.8520 23.414  -86.9000  12.73  -17.20 1.13   4.75   
1 1 1 23 18 8  o 37.884  0.4206 37.776  -53.9000  6.49   3.57   -0.81  -3.54  
1 1 1 23 18 9  o 45.376  0.2199 47.844  37.900    -0.41  -2.23  0.53   -0.85  
1 1 1 23 18 10 o 15.207  0.3661 15.311  91.300    2.12   4.06   0.60   -1.16  
1 1 1 23 18 11 o 12.631  0.2702 12.120  4.5000    0.13   1.92   0.50   0.02   
1 1 1 23 18 12 f 11.185  0.3261 10.811  21.800    -2.08  3.63   0.81   1.02   
1 1 1 23 18 13 o 21.355  0.1575 21.171  -131.7000 -0.01  0.12   0.00   0.01   
1 1 1 23 18 14 o 10.301  0.3088 11.873  31.400    0.60   0.53   0.00   -0.06  
1 1 1 23 18 15 o 6.8159  0.2574 7.9669  87.000    -0.25  0.12   -0.03  0.01   
1 1 1 23 18 16 o 18.628  0.3748 19.661  48.100    6.11   1.57   -2.59  0.08   
1 1 1 23 18 17 o 17.620  0.3188 16.119  1.2000    0.73   -0.86  0.08   0.08   
1 1 1 23 18 18 o 9.3427  0.3113 8.6542  33.900    2.69   0.27   -0.82  0.22   
1 1 1 23 18 19 o 13.011  0.2137 12.510  -119.4000 0.88   -0.51  -0.18  0.02   
1 1 1 23 18 20 o 10.478  0.2202 9.4458  -1.3000   0.89   0.37   0.27   -0.28  
1 1 1 23 18 21 o 0.0000  1.7818 ?       ?         -0.02  -0.04  -0.00  0.01   
1 1 1 23 18 22 o 8.1634  0.3340 7.1226  -85.9000  0.03   -0.15  -0.00  -0.01  
1 1 1 23 18 23 o 7.1594  0.3953 6.4075  30.200    0.34   0.29   -0.03  0.03   
1 1 1 23 18 24 o 7.2315  0.5173 ?       ?         0.35   -0.97  -0.03  -0.06  
1 1 1 23 18 25 o 5.7583  1.1313 ?       ?         -0.29  0.22   0.00   0.00   
1 1 1 23 18 26 o 4.9585  1.1210 ?       ?         0.04   -1.01  -0.02  -0.02  
1 1 1 23 19 0  o 12.141  0.3947 0.2539  -168.1000 0.06   0.00   0.00   0.00   
1 1 1 23 19 1  o 14.893  0.3681 7.1185  160.000   1.07   4.04   1.01   -0.72  
1 1 1 23 19 2  o 19.260  0.5351 24.030  57.200    8.62   3.67   -1.62  -1.47  
1 1 1 23 19 3  o 6.5191  0.1334 8.0223  41.000    -0.86  0.26   -0.30  0.25   
1 1 1 23 19 4  f 41.088  0.4687 42.102  -25.1000  4.15   5.11   1.06   -1.93  
1 1 1 23 19 5  o 26.303  0.1607 24.721  139.500   0.24   -0.41  -0.99  0.28   
1 1 1 23 19 6  o 29.290  0.2320 21.235  -33.1000  1.95   -3.49  1.93   1.60   
1 1 1 23 19 7  o 27.595  0.3902 23.678  -142.3000 1.31   -4.88  1.22   1.14   
1 1 1 23 19 8  o 17.119  0.7991 21.249  -112.6000 -8.66  -11.63 0.69   -1.97  
1 1 1 23 19 9  o 17.651  0.1712 12.826  40.800    0.91   0.24   -1.12  0.31   
1 1 1 23 19 10 o 14.982  0.1665 13.995  -42.1000  -0.12  -0.54  0.37   0.05   
1 1 1 23 19 11 o 8.3579  0.1672 10.835  124.400   -0.33  0.30   -0.12  0.22   
1 1 1 23 19 12 o 48.842  0.3301 46.252  113.600   -0.95  3.04   0.88   -0.19  
1 1 1 23 19 13 o 11.556  0.1624 13.356  -49.2000  -0.12  -0.48  0.08   -0.27  
1 1 1 23 19 14 o 6.6877  0.2283 8.1990  -148.6000 0.64   -0.01  -0.21  -0.08  
1 1 1 23 19 15 o 7.2448  0.2272 6.4813  -21.6000  0.21   0.34   -0.00  -0.07  
1 1 1 23 19 16 o 6.5798  0.2833 4.7865  116.200   -0.82  0.26   -0.07  0.12   
1 1 1 23 19 17 o 9.1436  0.3122 8.0967  -116.6000 1.53   -1.72  -0.21  0.61   
1 1 1 23 19 18 f 13.086  0.1918 9.9735  94.000    1.11   -0.26  -0.09  0.25   
1 1 1 23 19 19 o 8.0008  0.2613 9.0224  94.800    -0.23  0.17   0.08   -0.05  
1 1 1 23 19 20 o 5.6661  0.3438 5.6020  24.500    1.26   -0.69  0.04   0.33   
1 1 1 23 19 21 o 6.3221  0.3496 6.5762  141.700   -0.10  0.13   0.01   -0.01  
1 1 1 23 19 22 o 8.1467  0.3208 8.5242  161.500   0.24   -0.28  -0.01  -0.04  
1 1 1 23 19 23 o 8.6663  0.4348 ?       ?         0.18   -0.82  0.02   -0.04  
1 1 1 23 19 24 o 5.8947  1.2133 ?       ?         0.40   -0.68  0.02   -0.00  
1 1 1 23 19 25 o 4.8855  0.9155 ?       ?         -0.22  0.30   -0.01  -0.01  
1 1 1 23 19 26 o 7.8214  0.7634 ?       ?         0.62   0.83   0.00   0.01   
1 1 1 23 20 0  o 26.904  0.3486 25.940  0.1000    0.18   0.00   0.00   0.00   
1 1 1 23 20 1  o 19.683  0.5974 13.115  -137.5000 -6.62  -5.75  -0.65  -2.45  
1 1 1 23 20 2  o 25.881  0.4595 30.683  29.800    -1.43  0.83   -0.09  0.11   
1 1 1 23 20 3  o 37.115  0.1822 34.261  143.300   -0.45  0.17   0.06   0.19   
1 1 1 23 20 4  o 10.813  0.2748 11.596  -176.3000 -4.42  0.79   -1.55  0.71   
1 1 1 23 20 5  o 27.693  0.5238 25.808  50.200    7.86   4.11   -1.71  -1.84  
1 1 1 23 20 6  o 64.931  0.2862 64.168  67.700    -0.34  1.19   -0.46  0.30   
1 1 1 23 20 7  o 22.254  0.6272 26.546  87.200    -2.71  8.84   1.53   1.30   
1 1 1 23 20 8  f 14.239  0.2368 19.838  57.100    -1.24  -0.14  -0.19  -0.02  
1 1 1 23 20 9  o 7.0610  0.1774 3.7352  -74.3000  1.08   -0.86  -0.43  0.93   
1 1 1 23 20 10 o 51.676  0.3567 54.511  -81.2000  -0.74  -1.46  0.23   -0.06  
1 1 1 23 20 11 o 3.2589  0.3363 1.4612  -92.4000  0.46   -0.06  -0.11  0.05   
1 1 1 23 20 12 o 5.4139  0.4775 4.0199  -5.7000   2.18   1.43   -0.16  -0.31  
1 1 1 23 20 13 o 11.031  0.2423 10.110  111.000   -1.72  2.46   0.10   1.37   
1 1 1 23 20 14 o 12.925  0.1908 12.334  119.900   1.87   1.47   0.52   -1.48  
1 1 1 23 20 15 o 8.6535  0.2704 10.561  71.400    -0.46  -0.53  -0.01  -0.06  
1 1 1 23 20 16 o 6.6000  0.3125 5.7643  -35.3000  1.51   -0.24  -0.27  0.22   
1 1 1 23 20 17 f 15.239  0.1671 16.799  -121.8000 0.87   -1.77  -0.41  1.16   
1 1 1 23 20 18 o 7.3164  0.2683 7.8497  126.100   -0.88  -0.71  0.25   -0.32  
1 1 1 23 20 19 o 15.691  0.1832 17.710  157.000   -0.86  0.44   0.06   -0.35  
1 1 1 23 20 20 o 11.103  0.2650 10.357  108.500   -0.13  0.50   0.03   -0.02  
1 1 1 23 20 21 o 6.1956  0.4016 6.8301  3.2000    0.46   -0.07  -0.02  -0.01  
1 1 1 23 20 22 o 9.9215  0.3022 9.4165  -178.4000 -0.83  0.69   -0.06  -0.25  
1 1 1 23 20 23 o 8.1231  0.4797 ?       ?         0.72   -0.23  -0.01  -0.03  
1 1 1 23 20 24 o 5.7445  0.5965 ?       ?         0.30   -0.49  0.00   -0.02  
1 1 1 23 20 25 o 0.0000  2.6534 ?       ?         0.17   -0.23  0.00   -0.02  
1 1 1 23 20 26 o 5.4628  1.0873 ?       ?         0.35   0.68   -0.01  0.01   
1 1 1 23 21 0  o 35.595  0.3602 36.761  0.1000    0.38   0.00   0.00   0.00   
1 1 1 23 21 1  o 19.055  0.2060 20.447  -38.7000  -0.00  -0.21  -0.00  0.22   
1 1 1 23 21 2  o 21.785  0.2083 24.401  -35.5000  -0.22  0.40   0.11   0.05   
1 1 1 23 21 3  o 21.671  0.1364 12.309  1.7000    0.16   1.15   1.77   0.90   
1 1 1 23 21 4  o 16.099  0.3565 3.6886  -61.8000  9.50   0.64   -5.07  -0.17  
1 1 1 23 21 5  o 6.7808  0.1398 7.2982  -71.6000  0.17   -0.47  0.40   0.16   
1 1 1 23 21 6  o 9.9166  0.1426 8.4264  -9.6000   0.69   0.21   -0.20  -0.08  
1 1 1 23 21 7  o 9.0219  0.1517 6.0453  149.200   0.38   1.32   1.75   -2.07  
1 1 1 23 21 8  f 19.619  0.2368 17.262  -55.5000  0.40   -3.73  1.95   1.09   
1 1 1 23 21 9  o 17.075  0.2470 16.966  -76.9000  4.02   -4.99  0.12   4.59   
1 1 1 23 21 10 o 18.988  0.1613 18.707  8.0000    0.44   0.70   0.42   -0.20  
1 1 1 23 21 11 o 28.935  0.1722 29.848  -133.3000 -0.14  -0.03  -0.01  0.02   
1 1 1 23 21 12 f 4.4215  0.2951 2.6824  28.900    0.09   -0.06  0.32   -0.23  
1 1 1 23 21 13 o 13.839  0.1575 15.485  93.000    -0.13  1.08   0.31   0.34   
1 1 1 23 21 14 o 6.9424  0.5300 4.9726  130.600   0.56   3.01   0.32   -0.08  
1 1 1 23 21 15 o 13.975  0.1670 14.435  -108.8000 0.59   -0.21  0.42   -0.41  
1 1 1 23 21 16 o 5.9481  0.2809 8.8672  108.000   0.35   0.01   -0.08  0.11   
1 1 1 23 21 17 f 5.3109  0.6304 3.3352  90.200    -3.57  1.74   -0.54  0.47   
1 1 1 23 21 18 o 13.297  0.1903 15.181  92.900    -0.44  0.04   0.09   -0.09  
1 1 1 23 21 19 o 6.2780  0.6880 5.4854  -3.7000   0.90   -0.25  -0.03  0.01   
1 1 1 23 21 20 o 4.4992  0.4337 2.9231  -49.7000  -0.18  -0.09  0.00   0.04   
1 1 1 23 21 21 f 4.5363  0.4826 2.7881  -37.2000  0.14   -0.23  -0.01  0.01   
1 1 1 23 21 22 o 13.088  0.3867 12.921  169.200   -0.75  3.52   0.47   -0.51  
1 1 1 23 21 23 o 6.8820  0.4717 ?       ?         0.03   1.03   -0.01  -0.07  
1 1 1 23 21 24 o 9.5709  0.4299 ?       ?         -0.23  1.80   -0.10  0.09   
1 1 1 23 21 25 o 5.0061  0.9265 ?       ?         -0.15  -0.21  -0.00  0.00   
1 1 1 23 21 26 o 5.0096  0.9977 ?       ?         1.18   -0.24  0.02   -0.01  
1 1 1 23 22 0  o 6.9714  0.3545 9.7338  179.900   0.02   0.00   0.00   0.00   
1 1 1 23 22 1  o 11.171  0.7613 1.7500  -135.4000 -9.95  -13.01 1.14   -5.35  
1 1 1 23 22 2  o 26.791  1.1082 29.241  70.700    23.30  7.04   -4.51  -2.49  
1 1 1 23 22 3  o 31.492  0.1876 35.213  19.700    0.46   0.06   0.32   0.67   
1 1 1 23 22 4  o 33.665  0.1644 23.314  -109.2000 -0.13  0.50   0.03   0.09   
1 1 1 23 22 5  o 8.5650  0.6132 11.508  -169.9000 -10.27 4.12   -1.93  1.71   
1 1 1 23 22 6  o 12.857  0.1170 13.887  21.900    0.30   -0.21  -0.00  0.16   
1 1 1 23 22 7  o 6.5727  0.3936 11.805  -53.0000  1.22   -3.52  0.51   0.37   
1 1 1 23 22 8  o 23.357  0.2724 21.382  -66.8000  1.03   -1.28  -0.02  0.31   
1 1 1 23 22 9  o 17.457  0.1374 16.802  -142.9000 -0.08  -0.23  0.02   -0.01  
1 1 1 23 22 10 o 27.983  0.4502 26.052  43.600    1.39   5.71   1.31   -0.32  
1 1 1 23 22 11 o 14.370  0.1458 15.235  -36.0000  0.02   -0.20  -0.21  -0.25  
1 1 1 23 22 12 o 21.811  0.2484 22.429  10.600    1.59   2.80   1.09   -0.66  
1 1 1 23 22 13 o 23.507  0.2927 25.582  172.900   -1.33  2.97   0.83   0.33   
1 1 1 23 22 14 f 5.8877  0.2813 8.5827  -142.7000 -0.45  0.24   -0.01  0.06   
1 1 1 23 22 15 o 8.1664  0.2302 8.2046  130.800   0.56   0.11   -0.19  0.13   
1 1 1 23 22 16 o 5.9335  0.4585 4.8000  127.700   -0.07  0.26   0.00   0.00   
1 1 1 23 22 17 o 13.226  0.1826 11.842  -58.7000  0.25   -0.37  -0.20  -0.10  
1 1 1 23 22 18 o 15.048  0.2768 14.259  60.400    -1.35  0.25   -0.06  0.18   
1 1 1 23 22 19 o 4.6438  0.3817 4.9466  -89.5000  -0.16  0.12   -0.02  -0.04  
1 1 1 23 22 20 o 4.1426  0.4583 3.5796  113.300   0.13   -0.63  0.02   0.07   
1 1 1 23 22 21 o 3.3415  0.5823 1.9084  113.300   0.23   -0.34  0.06   -0.04  
1 1 1 23 22 22 o 8.0753  0.6799 8.1322  92.500    0.59   0.03   -0.01  0.01   
1 1 1 23 22 23 f 6.1767  0.5210 ?       ?         -0.94  -0.31  -0.01  0.10   
1 1 1 23 22 24 o 3.9897  0.7912 ?       ?         -0.02  0.24   -0.00  -0.00  
1 1 1 23 22 25 o 11.339  0.5127 ?       ?         1.70   1.60   0.01   0.11   
1 1 1 23 22 26 o 2.1931  1.5564 ?       ?         -0.70  1.06   -0.02  -0.04  
1 1 1 23 23 0  o 19.220  0.3900 26.638  -0.1000   -0.03  0.00   0.00   0.00   
1 1 1 23 23 1  o 9.9045  0.3272 10.273  90.200    -0.00  -0.08  0.00   0.00   
1 1 1 23 23 2  o 14.574  0.3418 20.514  -179.9000 -0.03  0.00   0.00   0.00   
1 1 1 23 23 3  o 0.0000  1.5166 7.5062  90.100    0.00   0.01   0.00   0.00   
1 1 1 23 23 4  o 18.770  0.1585 11.698  -179.9000 -0.23  0.00   0.00   0.00   
1 1 1 23 23 5  o 19.621  0.1693 15.162  -90.2000  -0.00  -0.07  0.00   0.00   
1 1 1 23 23 6  o 5.2726  0.2444 5.7526  -0.1000   -0.01  0.00   0.00   0.00   
1 1 1 23 23 7  o 38.703  0.2732 35.544  90.000    0.00   0.50   0.00   0.00   
1 1 1 23 23 8  o 12.653  0.2175 15.421  0.0000    0.09   0.00   0.00   0.00   
1 1 1 23 23 9  o 48.777  0.3349 44.767  -90.0000  -0.00  -0.59  0.00   0.00   
1 1 1 23 23 10 o 7.5498  0.2623 3.5726  179.800   0.16   0.00   0.00   0.00   
1 1 1 23 23 11 o 10.276  0.2331 7.7267  90.000    -0.00  -0.16  0.00   0.00   
1 1 1 23 23 12 o 25.836  0.2264 28.362  0.0000    0.43   0.00   0.00   0.00   
1 1 1 23 23 13 o 6.7380  0.3854 4.6567  90.100    0.00   0.09   0.00   0.00   
1 1 1 23 23 14 o 23.188  0.2221 24.441  0.0000    0.54   0.00   0.00   0.00   
1 1 1 23 23 15 o 10.020  0.2625 9.3974  90.000    -0.00  -0.24  0.00   0.00   
1 1 1 23 23 16 o 19.152  0.3209 18.176  0.0000    -0.62  0.00   0.00   0.00   
1 1 1 23 23 17 o 26.717  0.2650 23.124  -90.0000  0.00   0.03   0.00   0.00   
1 1 1 23 23 18 o 4.0000  0.6116 5.2250  -0.0000   -0.09  0.00   0.00   0.00   
1 1 1 23 23 19 o 4.7749  0.5838 5.4767  90.000    0.00   0.02   0.00   0.00   
1 1 1 23 23 20 o 9.4021  0.3435 10.375  0.0000    0.30   0.00   0.00   0.00   
1 1 1 23 23 21 o 5.0299  0.7082 4.6912  -90.0000  0.00   0.31   0.00   0.00   
1 1 1 23 23 22 f 8.5499  0.4652 4.9872  180.000   -0.46  0.00   0.00   0.00   
1 1 1 23 23 23 o 0.0000  3.3015 ?       ?         0.00   0.09   0.00   0.00   
1 1 1 23 23 24 o 0.0000  3.6056 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 23 23 25 o 10.854  0.7038 ?       ?         -0.00  -1.15  0.00   0.00   
1 1 1 24 0  0  o 132.350 1.0294 127.988 -0.0000   0.32   0.00   0.00   0.00   
1 1 1 24 0  1  o 11.781  0.1591 8.6476  -45.3000  -0.00  0.00   0.00   0.00   
1 1 1 24 0  2  o 11.144  0.1940 13.897  -90.1000  0.00   0.03   0.00   0.00   
1 1 1 24 0  3  o 75.931  0.4432 78.313  -135.0000 -0.09  -0.09  0.00   0.00   
1 1 1 24 0  4  o 30.984  0.2259 29.863  -179.9000 -0.27  0.00   0.00   0.00   
1 1 1 24 0  5  o 21.059  0.2185 13.955  -45.2000  0.01   -0.01  0.00   0.00   
1 1 1 24 0  6  o 21.794  0.2696 7.4860  -90.1000  -0.00  -0.17  0.00   0.00   
1 1 1 24 0  7  o 18.311  0.1704 18.484  44.900    0.11   0.11   0.00   0.00   
1 1 1 24 0  8  o 6.0249  0.2239 2.3112  -1.1000   0.01   0.00   0.00   0.00   
1 1 1 24 0  9  o 49.277  0.3366 51.387  135.000   -0.07  0.07   0.00   0.00   
1 1 1 24 0  10 o 11.815  0.2770 10.012  -90.0000  0.00   0.10   0.00   0.00   
1 1 1 24 0  11 o 22.643  0.2057 14.094  -134.9000 -0.15  -0.15  0.00   0.00   
1 1 1 24 0  12 o 42.141  0.3168 42.046  -0.1000   0.73   0.00   0.00   0.00   
1 1 1 24 0  13 o 26.002  0.2778 13.358  -45.0000  0.03   -0.03  0.00   0.00   
1 1 1 24 0  14 o 39.511  0.2889 34.139  90.000    -0.00  -0.11  0.00   0.00   
1 1 1 24 0  15 o 23.175  0.2729 15.603  -135.0000 -0.12  -0.12  0.00   0.00   
1 1 1 24 0  16 o 36.877  0.3186 33.386  -0.0000   -0.67  0.00   0.00   0.00   
1 1 1 24 0  17 o 22.494  0.2201 26.164  135.000   0.12   -0.12  0.00   0.00   
1 1 1 24 0  18 o 10.440  0.2707 13.924  90.000    -0.00  -0.01  0.00   0.00   
1 1 1 24 0  19 o 2.1679  0.8453 3.6221  45.000    0.02   0.02   0.00   0.00   
1 1 1 24 0  20 o 16.065  0.2934 15.020  180.000   -0.32  0.00   0.00   0.00   
1 1 1 24 0  21 f 15.182  0.2813 12.894  -45.0000  -0.16  0.16   0.00   0.00   
1 1 1 24 0  22 f 4.9699  0.5817 5.3104  90.000    0.00   0.10   0.00   0.00   
1 1 1 24 0  23 o 8.8544  0.3735 7.2879  45.000    -0.09  -0.09  0.00   0.00   
1 1 1 24 0  24 o 3.8471  0.8109 4.8142  -0.0000   0.16   0.00   0.00   0.00   
1 1 1 24 0  25 f 6.6408  0.6549 ?       ?         -0.08  0.08   0.00   0.00   
1 1 1 24 1  0  o 23.772  0.2436 24.670  -179.9000 -0.03  0.00   0.00   0.00   
1 1 1 24 1  1  o 33.773  0.5709 25.238  -178.9000 -9.29  -2.59  -2.10  -1.41  
1 1 1 24 1  2  o 29.313  0.7095 44.705  -115.2000 -7.48  -9.85  0.55   -2.35  
1 1 1 24 1  3  o 11.515  0.2872 14.462  -38.8000  1.12   -5.72  2.69   0.99   
1 1 1 24 1  4  f 16.588  0.1588 7.9668  -133.4000 3.45   -0.45  -5.10  2.05   
1 1 1 24 1  5  o 32.303  0.7084 23.688  52.600    8.41   9.24   0.51   -2.96  
1 1 1 24 1  6  o 43.479  1.0497 55.247  97.300    -5.37  14.24  1.90   1.41   
1 1 1 24 1  7  o 25.676  0.1619 20.658  -122.3000 0.63   -0.16  -0.80  -0.19  
1 1 1 24 1  8  o 25.886  0.1526 25.269  147.300   -0.48  -0.37  0.39   -0.64  
1 1 1 24 1  9  o 53.269  0.2439 56.602  -142.4000 -0.37  -0.80  0.32   0.71   
1 1 1 24 1  10 f 13.021  0.3194 1.9183  153.200   -4.59  4.00   -0.66  2.90   
1 1 1 24 1  11 o 57.286  0.5026 51.227  163.700   -3.04  -3.56  0.84   -1.06  
1 1 1 24 1  12 o 53.629  0.2419 51.663  -128.7000 -0.25  -0.32  -0.13  0.21   
1 1 1 24 1  13 f 35.533  0.1824 33.788  -13.0000  0.41   0.57   -0.61  -0.28  
1 1 1 24 1  14 o 17.656  0.4797 11.830  -10.5000  1.57   0.36   -0.09  -0.06  
1 1 1 24 1  15 o 11.835  0.3030 5.3718  49.100    3.35   1.55   -0.58  -0.92  
1 1 1 24 1  16 o 16.719  0.1753 15.701  -27.5000  0.28   -0.51  -1.02  -0.75  
1 1 1 24 1  17 o 4.9405  0.3140 5.4326  136.300   0.52   -0.08  -0.16  -0.01  
1 1 1 24 1  18 o 15.497  0.1733 13.379  24.300    0.20   0.19   -0.07  0.01   
1 1 1 24 1  19 o 9.6144  0.2375 8.2274  85.300    1.21   0.74   -0.51  -0.25  
1 1 1 24 1  20 o 11.675  0.2943 9.1649  57.200    0.45   0.33   -0.04  -0.02  
1 1 1 24 1  21 o 14.291  0.2295 14.232  168.800   -1.09  -0.23  -0.01  -0.21  
1 1 1 24 1  22 o 11.672  0.2322 9.6228  140.800   -0.73  0.45   -0.17  -0.11  
1 1 1 24 1  23 o 10.946  0.3490 12.142  -107.8000 -0.45  -0.61  0.06   -0.01  
1 1 1 24 1  24 o 3.3491  0.7153 2.5543  13.100    -0.00  0.24   -0.03  -0.01  
1 1 1 24 1  25 o 4.9961  0.6179 ?       ?         -0.17  0.13   -0.00  -0.01  
1 1 1 24 2  0  f 43.538  0.3497 35.303  -0.0000   -0.07  0.00   0.00   0.00   
1 1 1 24 2  1  o 72.796  0.6528 78.745  67.800    -4.56  3.09   -0.66  1.06   
1 1 1 24 2  2  o 34.152  0.3357 37.815  159.200   -4.13  -2.22  -0.73  -1.39  
1 1 1 24 2  3  o 47.190  0.6418 42.464  97.400    0.87   7.62   1.45   -0.19  
1 1 1 24 2  4  o 33.417  0.8156 25.626  -20.0000  23.23  4.05   -6.54  -2.68  
1 1 1 24 2  5  o 18.634  0.1363 9.0146  -140.4000 0.06   -0.16  0.42   -0.64  
1 1 1 24 2  6  o 36.522  0.2266 46.994  -129.6000 -0.50  -1.09  0.12   -0.26  
1 1 1 24 2  7  o 42.021  0.7936 31.171  -102.3000 -7.63  -13.45 1.62   -3.58  
1 1 1 24 2  8  o 57.763  0.4402 56.781  102.400   -4.00  3.94   -0.95  2.02   
1 1 1 24 2  9  o 39.961  0.5466 31.796  13.900    7.01   -4.00  -0.80  2.76   
1 1 1 24 2  10 o 12.284  0.1332 13.459  -84.0000  0.07   -0.31  0.29   -0.02  
1 1 1 24 2  11 o 14.829  0.4115 15.657  131.300   0.87   4.76   1.67   -0.92  
1 1 1 24 2  12 o 23.314  0.1713 29.050  79.400    -0.40  0.32   0.04   0.17   
1 1 1 24 2  13 o 17.856  0.1741 13.522  -127.1000 2.21   -2.35  -0.76  3.00   
1 1 1 24 2  14 o 24.650  0.1530 24.612  176.400   -0.17  -0.54  0.25   0.06   
1 1 1 24 2  15 o 22.650  0.3015 17.863  113.500   -3.43  2.47   -0.78  1.17   
1 1 1 24 2  16 o 9.0727  0.2447 9.6770  143.600   -0.22  0.10   -0.01  0.01   
1 1 1 24 2  17 o 20.918  0.1558 19.490  -61.6000  -0.51  0.51   0.39   0.11   
1 1 1 24 2  18 o 31.841  0.2005 30.927  78.400    -0.23  1.48   -0.65  -0.33  
1 1 1 24 2  19 o 5.9493  0.2987 5.7127  -134.7000 -0.37  -0.17  -0.01  -0.08  
1 1 1 24 2  20 o 6.2377  0.3136 6.3762  24.800    -0.04  0.12   -0.03  0.01   
1 1 1 24 2  21 o 25.140  0.1860 26.369  -35.3000  1.00   -0.29  0.07   -0.18  
1 1 1 24 2  22 o 10.804  0.2436 10.409  -154.0000 0.19   -0.00  0.01   0.01   
1 1 1 24 2  23 o 14.740  0.2175 16.690  -82.8000  0.46   -0.73  -0.09  -0.15  
1 1 1 24 2  24 o 3.2521  0.8296 2.5841  -78.9000  -0.11  -0.04  -0.00  0.00   
1 1 1 24 2  25 o 4.5464  0.6362 ?       ?         -0.08  0.12   -0.00  0.00   
1 1 1 24 3  0  o 47.822  0.3127 60.508  0.0000    -0.08  0.00   0.00   0.00   
1 1 1 24 3  1  o 50.927  0.2265 44.317  94.700    0.29   0.55   -2.49  -0.26  
1 1 1 24 3  2  o 64.026  0.2877 67.715  -71.5000  -0.27  -0.53  0.16   -0.04  
1 1 1 24 3  3  o 25.011  0.1341 16.832  74.000    -0.04  -0.12  0.02   -0.08  
1 1 1 24 3  4  o 51.110  0.7212 59.568  -3.5000   9.58   5.39   -1.10  -2.28  
1 1 1 24 3  5  o 44.164  0.2602 51.302  176.500   -0.17  -2.37  0.91   0.18   
1 1 1 24 3  6  o 56.386  0.2625 64.692  17.400    0.82   -0.01  1.32   1.01   
1 1 1 24 3  7  o 38.159  0.3002 38.668  -108.7000 0.65   -2.11  0.35   0.40   
1 1 1 24 3  8  o 9.4920  0.2899 9.9970  166.700   -0.16  -0.20  0.00   -0.01  
1 1 1 24 3  9  o 14.905  0.2593 11.742  132.200   -1.94  -1.09  -0.45  -0.55  
1 1 1 24 3  10 o 18.912  0.1580 21.206  65.800    -0.29  0.22   -0.28  0.17   
1 1 1 24 3  11 o 25.574  0.4511 23.751  -57.3000  2.00   -1.06  -0.19  0.20   
1 1 1 24 3  12 o 15.660  0.2394 22.351  -176.5000 -2.49  -1.35  -0.44  -0.92  
1 1 1 24 3  13 o 8.8124  0.1686 8.9678  -64.5000  -0.40  -1.62  1.01   -0.80  
1 1 1 24 3  14 o 15.569  0.1471 15.236  -37.5000  0.89   -0.04  -0.32  -0.09  
1 1 1 24 3  15 o 12.430  0.4760 14.052  -39.7000  5.20   -5.85  0.05   1.91   
1 1 1 24 3  16 o 23.348  0.1518 22.950  148.600   0.03   0.92   0.18   -0.53  
1 1 1 24 3  17 f 16.338  0.1886 10.405  91.200    1.23   0.46   -0.38  -0.05  
1 1 1 24 3  18 f 9.3613  0.2290 6.4124  49.300    -0.04  0.04   0.01   -0.01  
1 1 1 24 3  19 o 5.7437  0.3088 6.2402  3.8000    -0.60  1.06   -0.00  0.62   
1 1 1 24 3  20 o 14.297  0.1958 13.799  45.200    0.59   1.90   0.87   0.71   
1 1 1 24 3  21 o 13.544  0.3195 14.305  172.100   -1.56  -1.04  0.15   -0.33  
1 1 1 24 3  22 o 7.1797  0.3147 7.7552  177.300   0.05   -0.04  -0.00  -0.00  
1 1 1 24 3  23 o 5.5638  0.4274 6.7353  84.100    -0.13  0.70   0.02   0.07   
1 1 1 24 3  24 o 7.2672  0.6554 5.6524  -52.7000  0.03   -0.65  0.02   -0.02  
1 1 1 24 3  25 o 7.2531  0.5226 ?       ?         0.53   0.34   -0.02  0.04   
1 1 1 24 3  26 o 3.8210  1.8806 ?       ?         -0.20  0.03   0.00   0.00   
1 1 1 24 4  0  o 48.732  0.3069 24.019  0.1000    0.17   0.00   0.00   0.00   
1 1 1 24 4  1  o 65.400  0.3268 60.478  -124.8000 -2.43  0.67   -0.51  0.64   
1 1 1 24 4  2  o 45.007  0.2371 45.618  -1.4000   0.55   0.86   0.11   -0.14  
1 1 1 24 4  3  o 57.939  0.2522 52.915  -144.9000 0.05   -1.04  0.66   1.67   
1 1 1 24 4  4  o 14.516  0.3066 2.8538  84.300    -0.78  7.43   4.33   1.12   
1 1 1 24 4  5  o 31.782  0.9676 28.641  8.1000    19.89  0.31   -4.06  0.10   
1 1 1 24 4  6  o 48.678  0.2530 38.277  91.900    -1.98  -0.19  -0.71  0.23   
1 1 1 24 4  7  o 36.127  0.1843 43.442  -27.7000  0.70   -2.20  2.48   0.26   
1 1 1 24 4  8  o 57.270  0.8864 47.058  -94.8000  3.11   -8.89  0.99   1.19   
1 1 1 24 4  9  o 28.564  0.1653 27.472  -63.7000  0.10   -0.73  0.61   -1.53  
1 1 1 24 4  10 o 51.545  0.4149 41.425  40.100    3.01   -0.19  -0.58  0.37   
1 1 1 24 4  11 o 16.057  0.2731 14.603  177.800   -0.75  0.18   -0.08  0.02   
1 1 1 24 4  12 o 19.243  0.1574 16.155  154.000   -0.63  1.35   1.65   0.50   
1 1 1 24 4  13 f 24.731  0.2474 30.271  -174.9000 0.29   -2.27  0.63   0.37   
1 1 1 24 4  14 o 13.295  0.2197 17.288  50.300    0.17   0.13   0.42   0.10   
1 1 1 24 4  15 o 42.639  0.3305 41.999  47.800    -1.63  -0.49  -0.24  0.01   
1 1 1 24 4  16 o 14.069  0.3479 9.7774  8.3000    0.01   2.84   0.74   0.22   
1 1 1 24 4  17 o 14.829  0.1541 13.647  171.500   -0.04  0.35   -0.00  -0.22  
1 1 1 24 4  18 o 13.254  0.2759 11.381  -98.1000  -1.22  -2.27  0.74   -0.40  
1 1 1 24 4  19 o 6.0694  0.3633 5.8527  -100.6000 0.04   -0.95  0.11   0.04   
1 1 1 24 4  20 o 13.897  0.2007 14.287  -45.5000  0.18   -0.47  -0.17  -0.12  
1 1 1 24 4  21 o 12.701  0.3233 13.179  115.100   0.46   0.84   0.09   -0.02  
1 1 1 24 4  22 o 7.4836  0.3104 7.8293  67.700    0.94   -0.06  -0.02  0.32   
1 1 1 24 4  23 o 5.7554  0.4037 5.9677  -153.9000 0.27   -0.23  0.06   -0.05  
1 1 1 24 4  24 o 4.9295  0.5666 5.4132  153.300   0.24   -0.23  0.02   -0.01  
1 1 1 24 4  25 o 9.7236  0.4093 ?       ?         0.66   -1.19  0.10   -0.08  
1 1 1 24 4  26 o 7.1063  1.3844 ?       ?         -0.20  0.32   0.00   0.00   
1 1 1 24 5  0  o 37.156  0.2553 47.599  -180.0000 0.25   0.00   0.00   0.00   
1 1 1 24 5  1  o 16.807  0.1323 13.061  3.9000    0.65   0.13   -0.33  -0.08  
1 1 1 24 5  2  o 26.456  0.3733 35.750  -37.5000  5.78   -1.88  -1.59  1.01   
1 1 1 24 5  3  o 25.207  0.3204 34.374  -92.3000  2.36   -3.06  0.20   1.08   
1 1 1 24 5  4  o 13.812  0.3678 3.2870  -166.6000 -8.82  7.84   -0.52  7.76   
1 1 1 24 5  5  f 44.986  0.3510 59.598  -33.2000  1.82   -0.95  -0.32  0.26   
1 1 1 24 5  6  o 40.189  0.3961 35.026  108.300   -2.57  3.04   -0.05  1.02   
1 1 1 24 5  7  o 38.193  0.1965 36.430  -145.0000 0.40   -0.99  0.11   0.26   
1 1 1 24 5  8  o 22.719  0.1941 19.118  -135.3000 0.18   -0.25  -0.56  0.26   
1 1 1 24 5  9  o 48.889  0.2265 45.307  -122.2000 -0.05  -0.53  -0.38  -0.21  
1 1 1 24 5  10 o 33.477  0.1909 26.102  -99.6000  -0.21  -0.13  -0.13  0.17   
1 1 1 24 5  11 o 22.777  0.2325 17.684  96.000    -0.27  0.97   0.14   0.17   
1 1 1 24 5  12 o 21.456  0.2859 14.703  90.500    -2.89  1.03   -0.99  0.47   
1 1 1 24 5  13 o 18.789  0.1591 14.740  -129.7000 1.12   -0.08  -0.62  0.43   
1 1 1 24 5  14 o 37.810  0.4671 38.318  143.300   -1.52  0.23   -0.12  -0.01  
1 1 1 24 5  15 o 10.703  0.3086 9.7695  -70.9000  1.57   -1.63  0.10   0.48   
1 1 1 24 5  16 o 22.075  0.2690 20.451  79.900    -2.80  2.99   -0.73  1.82   
1 1 1 24 5  17 o 2.9301  0.5831 4.1286  120.600   0.33   -0.63  0.03   0.08   
1 1 1 24 5  18 o 5.0372  0.3064 3.3569  -150.4000 0.02   -0.01  0.00   0.00   
1 1 1 24 5  19 o 14.950  0.1817 16.887  -118.0000 -0.08  0.01   0.00   0.00   
1 1 1 24 5  20 o 12.017  0.4753 11.245  66.300    -0.32  3.13   0.59   -0.18  
1 1 1 24 5  21 o 12.813  0.2096 11.273  24.800    0.71   0.21   0.12   -0.16  
1 1 1 24 5  22 o 6.8175  0.3151 5.9024  100.100   0.40   0.11   -0.04  0.08   
1 1 1 24 5  23 o 9.7923  0.2809 10.231  70.400    -0.23  -0.16  -0.01  0.01   
1 1 1 24 5  24 o 3.1600  0.9677 2.5655  -102.6000 -0.02  -0.60  0.03   -0.08  
1 1 1 24 5  25 o 10.290  0.4494 ?       ?         -1.06  0.58   0.12   -0.03  
1 1 1 24 5  26 o 8.4499  1.2192 ?       ?         0.26   -0.26  0.00   0.00   
1 1 1 24 6  0  o 44.745  0.2809 64.842  0.0000    0.07   0.00   0.00   0.00   
1 1 1 24 6  1  o 15.662  0.4714 20.922  153.500   -9.78  0.58   -2.86  0.43   
1 1 1 24 6  2  o 25.796  0.1339 13.871  97.400    0.04   0.15   -1.24  0.36   
1 1 1 24 6  3  o 32.976  0.7775 33.523  -161.5000 -10.21 -10.95 0.32   -2.85  
1 1 1 24 6  4  o 17.841  0.4607 9.7318  112.900   -3.19  8.12   2.17   2.28   
1 1 1 24 6  5  o 11.328  0.1034 19.665  -165.6000 -0.12  0.97   2.03   -0.04  
1 1 1 24 6  6  o 23.427  0.1630 30.349  130.700   0.13   0.89   0.31   -0.21  
1 1 1 24 6  7  o 41.898  0.2291 43.290  -25.5000  1.80   -0.73  -0.25  0.66   
1 1 1 24 6  8  o 62.087  0.4493 62.031  120.300   -1.10  1.90   0.28   0.19   
1 1 1 24 6  9  o 20.536  0.1476 17.110  117.800   0.37   -0.06  0.29   -1.37  
1 1 1 24 6  10 f 29.937  0.2536 27.565  -98.4000  -2.13  0.47   -0.52  0.46   
1 1 1 24 6  11 o 21.929  0.3686 17.526  142.700   -1.97  0.02   -0.22  0.03   
1 1 1 24 6  12 o 23.909  0.3282 24.200  -10.4000  -1.81  4.07   1.61   1.06   
1 1 1 24 6  13 o 34.196  0.2353 30.777  62.400    3.37   1.05   -2.08  -0.29  
1 1 1 24 6  14 o 18.994  0.1847 20.885  -46.7000  -0.12  -2.52  1.30   -0.65  
1 1 1 24 6  15 o 25.550  0.1999 29.869  -7.5000   1.83   -0.65  -0.67  0.14   
1 1 1 24 6  16 o 11.604  0.2307 9.9743  173.900   -0.51  0.01   -0.04  -0.01  
1 1 1 24 6  17 o 3.0332  0.5966 3.5180  -177.9000 -0.64  0.04   -0.06  -0.00  
1 1 1 24 6  18 o 19.920  0.1873 19.588  177.000   -1.96  -0.72  0.07   -0.93  
1 1 1 24 6  19 o 10.193  0.2528 9.5649  -114.3000 0.13   -1.77  0.48   -0.16  
1 1 1 24 6  20 o 8.0126  0.5464 5.5570  5.5000    -0.29  3.42   0.63   0.38   
1 1 1 24 6  21 o 14.060  0.2267 14.447  -76.0000  0.76   -0.59  -0.19  -0.40  
1 1 1 24 6  22 o 7.3651  0.4594 7.6665  149.100   -1.95  1.00   -0.02  0.37   
1 1 1 24 6  23 o 6.7576  0.3487 6.3662  -145.7000 -0.29  -0.22  0.00   0.08   
1 1 1 24 6  24 o 6.3820  0.4608 6.5654  -98.2000  0.36   -0.14  0.03   -0.03  
1 1 1 24 6  25 o 9.8010  1.0494 ?       ?         -1.32  -0.81  0.03   -0.05  
1 1 1 24 6  26 o 7.0071  1.1245 ?       ?         0.04   0.44   0.00   0.00   
1 1 1 24 7  0  o 2.9155  0.3225 11.438  -179.9000 -0.01  0.00   0.00   0.00   
1 1 1 24 7  1  o 21.715  0.3822 12.570  -107.3000 -5.15  -7.79  1.47   -4.04  
1 1 1 24 7  2  o 35.705  0.6293 31.562  97.800    19.38  1.94   -7.77  -1.10  
1 1 1 24 7  3  o 27.962  0.6723 32.281  167.200   -16.90 10.92  -2.64  6.59   
1 1 1 24 7  4  o 36.398  0.1738 44.212  92.200    0.00   -0.03  -0.01  0.00   
1 1 1 24 7  5  o 20.068  0.5527 26.740  -2.0000   11.82  1.25   -4.23  -0.64  
1 1 1 24 7  6  o 21.507  0.1540 31.801  -83.6000  0.75   0.36   -0.10  -0.21  
1 1 1 24 7  7  o 19.709  0.5051 26.565  132.600   -10.86 2.32   -3.59  1.30   
1 1 1 24 7  8  o 31.135  0.1915 27.900  168.500   0.22   -0.24  0.05   0.05   
1 1 1 24 7  9  o 18.575  0.1442 11.892  173.500   -0.55  0.90   1.91   0.83   
1 1 1 24 7  10 o 38.586  0.2229 42.077  33.700    -0.24  -0.22  -0.11  0.19   
1 1 1 24 7  11 o 13.484  0.1641 16.342  40.100    1.29   -1.67  0.48   1.08   
1 1 1 24 7  12 o 46.974  0.2185 50.771  -92.8000  -0.58  -0.70  -0.28  -0.17  
1 1 1 24 7  13 o 19.647  0.1506 19.615  67.900    -0.46  0.96   0.13   0.46   
1 1 1 24 7  14 o 18.105  0.3972 22.120  -40.8000  1.13   -2.31  0.24   0.22   
1 1 1 24 7  15 o 17.445  0.1697 20.118  130.900   -1.24  -1.42  -0.19  -0.82  
1 1 1 24 7  16 o 16.962  0.2081 16.643  -18.6000  1.17   0.61   -0.32  -0.17  
1 1 1 24 7  17 o 8.0329  0.3355 7.3261  58.500    -0.65  0.55   -0.03  0.07   
1 1 1 24 7  18 o 6.1306  0.2683 6.9392  129.700   -0.15  0.72   0.11   0.13   
1 1 1 24 7  19 o 7.3606  0.3032 5.9868  100.200   -0.63  1.20   0.21   0.15   
1 1 1 24 7  20 o 17.094  0.1805 17.284  144.700   -1.06  0.14   -0.12  -0.24  
1 1 1 24 7  21 o 8.8426  0.2597 8.8445  -30.2000  0.15   -1.45  0.39   -0.37  
1 1 1 24 7  22 o 2.7627  0.6552 2.8289  -137.1000 -0.19  0.00   -0.01  0.01   
1 1 1 24 7  23 o 2.8827  0.6283 0.8999  -37.7000  0.12   -0.10  -0.01  0.00   
1 1 1 24 7  24 o 9.5393  0.3214 8.3738  -100.2000 -1.17  -0.61  -0.18  0.08   
1 1 1 24 7  25 o 4.0441  0.9554 ?       ?         0.23   -0.32  -0.00  -0.02  
1 1 1 24 7  26 o 8.4620  0.9681 ?       ?         0.50   0.51   0.00   0.01   
1 1 1 24 8  0  o 37.876  0.2570 35.161  0.0000    0.07   0.00   0.00   0.00   
1 1 1 24 8  1  o 25.350  0.2394 36.934  -35.2000  3.75   2.90   -0.45  -3.02  
1 1 1 24 8  2  f 41.352  0.4664 31.329  142.100   -10.57 -1.94  -4.92  -1.28  
1 1 1 24 8  3  o 44.156  0.2023 61.868  75.700    -0.49  0.23   -0.17  0.03   
1 1 1 24 8  4  o 6.5053  0.1271 6.3042  -103.5000 0.71   0.69   -0.08  -0.69  
1 1 1 24 8  5  o 24.929  0.3505 18.046  150.300   1.24   8.87   4.80   -2.03  
1 1 1 24 8  6  o 13.682  0.1743 16.090  150.300   -1.34  -0.42  -0.36  -0.32  
1 1 1 24 8  7  o 53.850  0.5904 59.669  61.000    9.10   4.84   -2.92  -2.47  
1 1 1 24 8  8  o 22.969  0.3939 17.745  -137.7000 -0.37  0.78   0.03   0.04   
1 1 1 24 8  9  o 15.134  0.1341 22.328  -149.7000 -1.05  0.66   -0.15  0.87   
1 1 1 24 8  10 o 25.190  0.5873 27.018  57.700    2.85   4.87   0.62   -0.82  
1 1 1 24 8  11 o 56.113  0.4031 59.620  -88.6000  4.79   -1.96  -1.94  0.56   
1 1 1 24 8  12 o 26.464  0.2679 32.480  40.900    -0.10  2.41   0.72   0.31   
1 1 1 24 8  13 o 23.540  0.3806 22.656  149.100   -0.10  4.81   1.43   0.41   
1 1 1 24 8  14 o 23.434  0.1645 24.013  -166.6000 -0.30  0.16   0.39   -0.09  
1 1 1 24 8  15 o 21.319  0.1512 22.211  -111.4000 -0.14  -0.51  -0.11  -0.30  
1 1 1 24 8  16 o 9.0675  0.2067 8.8928  15.100    1.24   0.40   -0.27  -0.37  
1 1 1 24 8  17 o 9.9598  0.1914 11.296  64.100    0.14   0.30   -0.00  -0.07  
1 1 1 24 8  18 f 18.809  0.1617 19.053  58.900    0.22   0.10   -0.02  0.03   
1 1 1 24 8  19 o 9.2600  0.2350 10.286  51.300    0.45   -0.19  0.13   0.24   
1 1 1 24 8  20 o 6.2004  0.6263 5.2515  -46.0000  0.97   -2.57  0.22   0.34   
1 1 1 24 8  21 o 6.9670  0.3008 7.2363  111.300   -0.33  0.28   0.19   -0.11  
1 1 1 24 8  22 o 3.8086  0.6296 4.6391  -32.5000  0.45   -0.09  -0.02  0.03   
1 1 1 24 8  23 o 3.7250  0.5597 2.7394  37.300    0.11   0.10   0.00   0.01   
1 1 1 24 8  24 o 4.5058  0.5742 3.6539  -30.2000  0.31   -0.01  -0.00  0.01   
1 1 1 24 8  25 o 13.931  0.4739 ?       ?         -0.96  -0.76  0.00   0.04   
1 1 1 24 8  26 o 9.2191  0.7838 ?       ?         0.03   -0.36  -0.00  0.00   
1 1 1 24 9  0  o 28.907  0.2095 27.983  0.0000    0.09   0.00   0.00   0.00   
1 1 1 24 9  1  o 63.026  1.2767 61.675  -139.4000 -9.44  -15.06 0.96   -2.54  
1 1 1 24 9  2  o 23.927  0.3551 30.707  18.700    -2.63  2.04   -0.26  0.70   
1 1 1 24 9  3  o 50.104  0.8135 54.191  113.300   -3.50  13.84  3.14   2.33   
1 1 1 24 9  4  o 28.202  0.1526 18.699  111.800   0.68   0.50   -3.47  -0.42  
1 1 1 24 9  5  o 50.073  0.5870 41.162  -125.2000 -3.80  -3.65  -0.23  -0.90  
1 1 1 24 9  6  o 23.735  0.1420 28.542  -169.9000 -0.12  0.06   0.08   0.11   
1 1 1 24 9  7  o 33.758  0.4383 30.899  -50.8000  3.48   -3.01  -0.35  1.03   
1 1 1 24 9  8  f 37.354  0.2468 34.264  -129.2000 -1.84  0.03   -0.57  -0.27  
1 1 1 24 9  9  o 30.775  0.3803 31.838  152.700   -7.41  -1.46  -3.39  -2.43  
1 1 1 24 9  10 o 35.415  0.2687 33.792  166.600   -0.74  -0.53  -0.10  -0.09  
1 1 1 24 9  11 f 20.857  0.1720 32.899  64.400    0.05   0.17   -0.18  -0.20  
1 1 1 24 9  12 o 20.717  0.1970 23.399  160.100   -0.17  1.05   0.24   0.21   
1 1 1 24 9  13 o 29.011  0.1700 34.613  -45.8000  -0.07  -0.60  0.16   0.47   
1 1 1 24 9  14 o 5.9245  0.5549 9.5488  38.900    1.57   0.26   -0.11  -0.03  
1 1 1 24 9  15 o 7.8905  0.2105 11.324  -52.4000  -0.04  0.28   0.04   0.03   
1 1 1 24 9  16 f 20.131  0.3373 27.874  -124.7000 -4.15  0.27   -0.96  0.48   
1 1 1 24 9  17 o 8.3893  0.2306 8.0473  -118.9000 -0.83  -0.98  -0.09  -0.38  
1 1 1 24 9  18 o 12.976  0.1911 12.029  -140.2000 -1.79  -0.43  -0.93  0.28   
1 1 1 24 9  19 o 18.476  0.1769 17.475  -121.2000 -0.04  -0.03  0.00   0.00   
1 1 1 24 9  20 o 9.8551  0.2283 10.035  81.400    0.04   0.40   -0.13  0.14   
1 1 1 24 9  21 o 7.2916  0.3578 7.0313  -178.8000 0.78   0.02   -0.06  -0.04  
1 1 1 24 9  22 o 8.8947  0.2787 7.6669  80.100    0.24   0.26   -0.03  0.08   
1 1 1 24 9  23 o 9.8666  0.7290 9.1123  130.600   -1.70  1.70   0.15   0.16   
1 1 1 24 9  24 o 0.0000  1.9540 ?       ?         -0.17  0.19   -0.07  -0.04  
1 1 1 24 9  25 o 3.8200  0.8990 ?       ?         0.10   -0.03  -0.00  -0.00  
1 1 1 24 9  26 o 0.5020  1.3535 ?       ?         0.17   0.09   0.00   0.00   
1 1 1 24 10 0  o 10.237  0.1634 3.8639  179.900   -0.05  0.00   0.00   0.00   
1 1 1 24 10 1  o 8.9517  0.3134 14.863  104.800   -3.55  -0.50  -1.01  -0.34  
1 1 1 24 10 2  f 25.068  0.3410 21.355  53.400    5.23   3.03   -1.50  -2.05  
1 1 1 24 10 3  o 31.065  0.3536 26.851  171.200   -3.47  -3.68  -0.17  -1.86  
1 1 1 24 10 4  o 47.808  0.2166 37.924  -163.5000 -0.21  -0.06  0.20   0.07   
1 1 1 24 10 5  o 55.883  0.2561 53.131  34.700    0.66   0.56   1.05   0.56   
1 1 1 24 10 6  o 33.392  0.1851 39.422  -170.5000 -0.01  -0.14  0.01   0.00   
1 1 1 24 10 7  o 37.798  0.2669 37.701  -62.6000  2.46   -1.85  -0.70  1.02   
1 1 1 24 10 8  o 23.641  0.7563 33.398  91.800    2.84   14.14  3.73   -1.17  
1 1 1 24 10 9  o 51.478  0.2353 49.877  -116.4000 -0.61  -1.06  -1.55  -0.32  
1 1 1 24 10 10 o 27.398  0.1801 28.265  -107.1000 -0.95  -1.40  -0.09  -0.90  
1 1 1 24 10 11 o 8.9189  0.1941 11.485  29.700    1.10   -0.52  -0.17  0.26   
1 1 1 24 10 12 o 24.028  0.2855 17.586  124.000   -3.26  1.02   -1.07  0.42   
1 1 1 24 10 13 o 20.515  0.1791 17.661  103.600   -0.76  -0.10  0.01   -1.26  
1 1 1 24 10 14 o 20.826  0.1530 25.657  83.000    0.72   0.72   -0.93  -0.69  
1 1 1 24 10 15 o 10.195  0.2137 7.6733  81.100    0.78   -0.55  -0.12  0.16   
1 1 1 24 10 16 o 9.8748  0.2095 9.2034  -111.4000 -0.80  1.08   0.29   0.35   
1 1 1 24 10 17 o 6.7662  0.2411 6.2435  -87.7000  -0.15  0.07   -0.00  0.01   
1 1 1 24 10 18 o 10.283  0.2592 11.665  161.900   -0.80  0.04   -0.09  -0.04  
1 1 1 24 10 19 o 6.4150  0.4978 4.9210  50.800    -0.09  0.67   0.03   0.00   
1 1 1 24 10 20 o 5.6086  0.3433 4.8888  145.900   -0.39  -0.42  0.09   -0.07  
1 1 1 24 10 21 o 8.4633  0.3591 9.2074  71.500    1.25   0.30   -0.17  0.02   
1 1 1 24 10 22 o 3.7829  0.5056 3.5271  -169.6000 0.22   -0.06  -0.00  0.01   
1 1 1 24 10 23 o 7.3329  0.3945 5.7363  -59.8000  -0.26  -0.10  0.02   0.02   
1 1 1 24 10 24 o 4.1563  0.6138 ?       ?         -0.17  0.24   -0.01  -0.02  
1 1 1 24 10 25 o 4.2220  0.9537 ?       ?         -0.05  0.20   -0.00  -0.00  
1 1 1 24 10 26 o 0.0000  5.1865 ?       ?         -0.10  0.02   0.00   0.00   
1 1 1 24 11 0  o 13.971  0.1697 10.900  0.1000    -0.09  0.00   0.00   0.00   
1 1 1 24 11 1  o 18.088  0.3126 22.086  -64.2000  8.21   0.37   -5.78  0.01   
1 1 1 24 11 2  o 41.752  0.3681 43.490  -87.3000  -1.36  -0.08  -0.15  -0.06  
1 1 1 24 11 3  o 33.944  0.1646 31.927  162.000   0.07   0.10   0.04   -0.01  
1 1 1 24 11 4  o 18.165  0.3855 15.449  3.1000    7.86   -2.09  -2.71  1.84   
1 1 1 24 11 5  o 16.688  0.7649 15.379  1.8000    18.40  -10.18 -2.85  4.24   
1 1 1 24 11 6  f 37.023  0.2865 24.709  -142.9000 -0.19  2.29   0.53   0.26   
1 1 1 24 11 7  o 25.990  0.1593 23.837  -60.1000  1.01   -0.18  -1.52  -1.26  
1 1 1 24 11 8  o 15.814  0.1244 15.991  -31.6000  0.47   1.00   0.60   -0.38  
1 1 1 24 11 9  o 34.774  0.1894 34.356  10.600    0.61   -0.49  1.27   0.30   
1 1 1 24 11 10 o 29.690  0.1638 26.571  -92.4000  0.05   -0.01  -0.00  -0.01  
1 1 1 24 11 11 o 4.4348  0.2589 5.4312  72.800    -0.58  -0.39  -0.11  -0.86  
1 1 1 24 11 12 o 10.195  0.4576 10.847  -104.2000 -2.28  -5.25  0.97   -0.92  
1 1 1 24 11 13 o 43.007  0.2902 44.039  -18.1000  1.13   3.08   1.36   -0.02  
1 1 1 24 11 14 o 12.769  0.2428 12.798  -83.1000  1.52   -2.33  0.21   0.89   
1 1 1 24 11 15 o 7.0632  0.2283 4.5333  -170.8000 -0.00  -0.09  -0.06  0.10   
1 1 1 24 11 16 o 8.5175  0.6724 9.5633  -156.3000 -4.49  0.08   -0.42  0.06   
1 1 1 24 11 17 o 9.3674  0.3852 6.9772  129.600   -2.09  2.42   0.40   0.78   
1 1 1 24 11 18 o 19.904  0.1730 22.383  46.500    0.02   0.86   -0.09  0.37   
1 1 1 24 11 19 o 7.4895  0.2688 8.9470  56.400    0.75   -0.42  0.21   0.46   
1 1 1 24 11 20 o 9.8572  0.4156 10.760  68.300    -1.19  1.49   -0.06  0.25   
1 1 1 24 11 21 o 4.1533  0.4552 5.0071  -83.4000  -0.08  -0.01  0.00   -0.01  
1 1 1 24 11 22 o 6.8221  0.5634 6.7310  -42.4000  0.27   -0.46  0.02   0.01   
1 1 1 24 11 23 o 4.3795  0.5756 3.2858  117.300   0.28   0.30   0.04   0.06   
1 1 1 24 11 24 o 9.1669  0.3983 ?       ?         -1.58  0.08   -0.01  -0.19  
1 1 1 24 11 25 o 2.7394  1.1327 ?       ?         0.32   0.33   0.02   0.03   
1 1 1 24 11 26 o 8.1117  1.1314 ?       ?         0.35   0.18   0.00   0.00   
1 1 1 24 12 0  o 34.999  0.2243 28.043  -0.0000   -0.06  0.00   0.00   0.00   
1 1 1 24 12 1  o 52.252  0.4677 52.877  -173.3000 -5.00  -2.07  -0.83  -1.42  
1 1 1 24 12 2  f 24.851  0.6967 34.288  26.400    4.45   -6.66  0.43   1.30   
1 1 1 24 12 3  o 39.022  0.6731 31.878  -76.2000  14.19  -7.13  -3.55  3.73   
1 1 1 24 12 4  o 34.534  0.1881 40.978  13.900    0.52   0.45   0.06   -0.17  
1 1 1 24 12 5  o 22.597  0.5084 10.522  168.300   -9.98  -3.34  -2.42  -2.16  
1 1 1 24 12 6  o 35.037  0.1715 48.473  -100.7000 1.48   -0.45  -3.08  -1.27  
1 1 1 24 12 7  f 11.215  0.2206 12.984  108.600   2.34   4.04   2.97   -3.73  
1 1 1 24 12 8  o 31.569  0.1887 26.608  -133.8000 0.01   0.32   0.02   0.01   
1 1 1 24 12 9  o 37.334  0.7197 34.696  70.400    0.24   9.21   1.96   0.27   
1 1 1 24 12 10 o 21.844  0.2039 19.577  50.600    3.13   -1.21  -1.12  1.62   
1 1 1 24 12 11 o 28.380  0.1621 21.263  120.100   -0.18  0.31   -0.02  0.07   
1 1 1 24 12 12 o 15.535  0.1451 18.375  160.400   -0.01  -0.02  0.00   0.00   
1 1 1 24 12 13 o 26.598  0.4755 20.691  -16.2000  4.15   -5.38  0.08   1.88   
1 1 1 24 12 14 o 16.595  0.1704 18.706  -85.6000  -0.06  -0.08  0.03   0.01   
1 1 1 24 12 15 o 27.761  0.2850 27.589  18.500    1.62   2.35   -0.22  -0.87  
1 1 1 24 12 16 o 12.725  0.1735 11.228  -152.2000 -0.12  0.30   -0.13  0.17   
1 1 1 24 12 17 o 18.383  0.1599 22.902  -119.9000 0.18   -0.70  -0.25  0.25   
1 1 1 24 12 18 o 17.614  0.1853 16.355  92.900    0.07   -0.18  -0.02  -0.03  
1 1 1 24 12 19 o 23.998  0.1954 23.125  157.300   -0.24  0.28   -0.04  -0.01  
1 1 1 24 12 20 o 18.446  0.1818 19.410  34.300    -0.27  0.84   -0.29  0.05   
1 1 1 24 12 21 o 6.5687  0.3507 7.4516  88.800    0.27   0.18   0.05   0.08   
1 1 1 24 12 22 o 8.3219  0.5251 7.8202  88.400    1.42   0.84   -0.16  -0.06  
1 1 1 24 12 23 o 9.3586  0.5096 9.2323  18.100    0.51   1.62   0.18   0.07   
1 1 1 24 12 24 o 6.8880  0.4721 ?       ?         -0.00  -0.60  -0.03  -0.04  
1 1 1 24 12 25 o 6.4242  1.1971 ?       ?         0.08   1.51   0.02   0.08   
1 1 1 24 12 26 o 3.4813  1.6348 ?       ?         0.10   0.01   0.00   0.00   
1 1 1 24 13 0  o 17.737  0.1454 19.069  -0.1000   0.07   0.00   0.00   0.00   
1 1 1 24 13 1  o 50.603  0.3967 65.596  65.700    4.48   3.00   -1.44  -1.75  
1 1 1 24 13 2  o 73.956  0.6279 70.152  56.700    2.36   -0.78  -0.12  0.24   
1 1 1 24 13 3  o 28.034  0.4201 27.907  -52.1000  2.18   0.09   -0.20  0.01   
1 1 1 24 13 4  o 23.882  0.7429 37.927  -161.8000 -15.17 -6.48  -2.66  -2.49  
1 1 1 24 13 5  o 38.907  0.4819 39.232  -92.0000  5.89   -4.47  -1.03  2.04   
1 1 1 24 13 6  o 29.700  0.4693 24.188  -99.9000  -0.17  -1.36  0.08   -0.01  
1 1 1 24 13 7  o 37.266  0.2001 35.651  156.100   -0.75  0.97   0.31   0.27   
1 1 1 24 13 8  o 46.240  0.2329 48.512  58.700    -1.03  0.52   0.14   0.49   
1 1 1 24 13 9  o 11.330  0.1793 14.917  -74.7000  -1.23  -2.27  0.79   -1.98  
1 1 1 24 13 10 o 21.916  0.2247 25.863  89.400    -1.18  0.43   -0.13  0.17   
1 1 1 24 13 11 o 28.200  0.2629 22.244  -170.5000 -2.62  3.06   1.18   1.99   
1 1 1 24 13 12 o 41.041  0.2182 39.956  -11.5000  0.08   0.14   -0.04  0.03   
1 1 1 24 13 13 o 6.8850  0.5006 8.5954  81.400    -1.16  2.73   0.25   0.30   
1 1 1 24 13 14 o 17.726  0.1479 17.027  135.000   -0.09  -0.15  -0.00  -0.02  
1 1 1 24 13 15 o 17.879  0.3915 17.329  -38.9000  1.98   -5.07  1.76   0.81   
1 1 1 24 13 16 o 7.5878  0.2228 7.2060  123.900   0.21   -0.31  0.20   0.05   
1 1 1 24 13 17 o 12.465  0.2385 15.474  91.500    -0.22  0.69   0.09   0.00   
1 1 1 24 13 18 o 11.404  0.1836 10.200  -53.4000  -0.27  -0.57  -0.23  -0.27  
1 1 1 24 13 19 o 11.812  0.2023 9.9430  147.300   -0.21  -0.14  0.01   -0.02  
1 1 1 24 13 20 o 3.0427  1.3613 0.8575  137.200   0.43   0.63   0.00   -0.08  
1 1 1 24 13 21 o 10.956  0.2168 10.101  -26.5000  0.20   0.02   0.02   0.01   
1 1 1 24 13 22 o 9.3462  0.2463 8.8224  -6.9000   0.07   -0.09  -0.00  -0.01  
1 1 1 24 13 23 o 5.0754  0.5475 4.0674  120.300   0.10   0.24   -0.01  0.02   
1 1 1 24 13 24 o 10.240  0.5984 ?       ?         1.96   0.13   0.01   -0.18  
1 1 1 24 13 25 o 7.7794  0.6740 ?       ?         -0.47  0.26   0.00   -0.01  
1 1 1 24 13 26 o 4.6627  1.0252 ?       ?         0.33   -0.05  0.00   -0.01  
1 1 1 24 14 0  o 31.273  0.2773 37.022  0.1000    0.36   0.00   0.00   0.00   
1 1 1 24 14 1  o 23.012  0.4815 18.823  55.300    4.96   -1.59  -0.66  0.56   
1 1 1 24 14 2  o 43.354  0.2229 44.202  -150.1000 -0.40  1.44   0.26   0.46   
1 1 1 24 14 3  o 31.529  0.6875 30.005  130.200   -10.77 2.44   -1.98  1.18   
1 1 1 24 14 4  o 14.228  0.1416 16.292  171.200   -0.64  0.20   -0.13  0.06   
1 1 1 24 14 5  o 15.111  0.3322 18.648  71.800    2.48   1.40   -0.21  -0.41  
1 1 1 24 14 6  o 19.104  0.1485 20.997  4.3000    0.44   1.37   0.58   -0.93  
1 1 1 24 14 7  o 10.385  0.5226 13.947  71.600    -3.75  5.58   0.48   1.37   
1 1 1 24 14 8  o 13.812  0.2496 9.6631  -135.6000 -1.93  -1.32  -0.17  -0.66  
1 1 1 24 14 9  o 14.493  0.1732 18.698  37.300    0.51   0.80   0.06   -0.28  
1 1 1 24 14 10 o 26.505  0.3624 29.368  -132.8000 -2.10  -1.12  -0.24  -0.25  
1 1 1 24 14 11 o 21.508  0.2025 19.780  28.400    0.76   -0.35  -0.13  0.08   
1 1 1 24 14 12 o 34.462  0.3003 37.171  -135.1000 0.51   -5.41  2.42   1.88   
1 1 1 24 14 13 o 26.093  0.1714 28.973  -154.8000 -0.19  -0.27  0.04   0.31   
1 1 1 24 14 14 o 16.740  0.1597 17.000  -149.8000 0.37   -0.59  0.30   0.09   
1 1 1 24 14 15 o 20.952  0.1512 22.437  157.500   -0.65  0.27   -0.33  -0.13  
1 1 1 24 14 16 o 22.407  0.2870 20.368  159.000   -0.17  0.89   0.04   0.06   
1 1 1 24 14 17 o 7.7142  0.2512 7.7522  85.600    0.04   -0.09  0.01   -0.01  
1 1 1 24 14 18 o 18.766  0.1815 17.298  98.700    -0.00  0.89   0.01   -0.37  
1 1 1 24 14 19 o 11.059  0.2170 11.988  19.200    0.04   -0.24  0.01   -0.03  
1 1 1 24 14 20 o 11.811  0.4595 12.213  -62.9000  1.49   -3.14  0.60   0.22   
1 1 1 24 14 21 o 6.0833  0.5731 5.2861  -94.8000  1.75   -0.62  -0.26  0.03   
1 1 1 24 14 22 o 8.5731  0.4308 9.3753  16.700    1.03   -0.09  -0.06  -0.06  
1 1 1 24 14 23 o 14.094  0.2612 15.688  -104.5000 -0.32  -2.01  -0.29  0.51   
1 1 1 24 14 24 o 8.1189  0.4356 ?       ?         1.16   -0.38  0.03   -0.17  
1 1 1 24 14 25 o 9.1211  0.6955 ?       ?         0.33   1.18   -0.04  -0.00  
1 1 1 24 14 26 o 3.7354  1.8641 ?       ?         0.48   0.07   0.01   0.02   
1 1 1 24 15 0  o 3.2249  0.2840 6.1878  179.800   -0.04  0.00   0.00   0.00   
1 1 1 24 15 1  o 14.083  0.2011 11.264  133.900   -1.68  -1.04  -0.36  -0.55  
1 1 1 24 15 2  f 25.883  0.1707 29.493  14.600    0.45   0.63   0.70   -0.45  
1 1 1 24 15 3  o 26.970  0.4144 33.036  -146.1000 -7.74  4.01   -1.52  2.82   
1 1 1 24 15 4  o 17.205  0.5054 13.336  83.600    5.15   11.92  3.20   -3.02  
1 1 1 24 15 5  o 44.722  0.6082 42.767  -168.8000 -3.65  -7.60  1.47   -1.25  
1 1 1 24 15 6  o 18.712  0.5718 19.004  -148.8000 -6.34  -7.01  0.46   -2.46  
1 1 1 24 15 7  o 32.307  0.1722 27.793  14.000    0.16   0.26   -0.01  0.45   
1 1 1 24 15 8  o 27.496  0.1532 25.356  -111.6000 -1.99  0.51   -0.84  1.56   
1 1 1 24 15 9  o 33.425  0.1755 29.522  135.200   0.22   0.25   -0.07  -0.07  
1 1 1 24 15 10 o 36.612  0.4134 33.404  -85.1000  -0.96  -3.55  0.53   -0.63  
1 1 1 24 15 11 o 27.851  0.4363 25.457  -177.1000 -4.06  -0.53  -0.67  -0.33  
1 1 1 24 15 12 o 20.722  0.1539 20.035  104.400   -0.08  0.08   -0.04  0.00   
1 1 1 24 15 13 o 6.5334  0.2281 2.7892  -40.0000  -0.09  -0.13  -0.04  -0.10  
1 1 1 24 15 14 o 12.678  0.2310 12.704  -111.9000 0.65   -0.21  -0.08  0.02   
1 1 1 24 15 15 o 14.752  0.1515 18.440  -18.4000  0.09   -0.30  0.01   0.03   
1 1 1 24 15 16 o 17.376  0.1868 16.341  62.400    0.69   1.20   -1.24  -0.82  
1 1 1 24 15 17 o 20.662  0.1592 20.392  141.800   0.34   -0.19  0.02   0.03   
1 1 1 24 15 18 o 9.2715  0.2219 7.7678  -131.0000 -0.17  0.09   0.02   -0.11  
1 1 1 24 15 19 f 8.7625  0.2308 11.736  -135.9000 -0.21  -0.45  -0.01  -0.07  
1 1 1 24 15 20 o 8.3187  0.4136 6.7641  -60.3000  0.38   -0.69  0.05   0.02   
1 1 1 24 15 21 o 8.1751  0.2780 7.9868  -115.0000 0.17   -0.59  -0.23  0.03   
1 1 1 24 15 22 o 7.4885  0.5721 7.9354  -179.7000 -0.24  -0.02  -0.00  -0.00  
1 1 1 24 15 23 o 3.4478  0.6428 1.6235  64.300    -0.04  0.13   0.00   -0.01  
1 1 1 24 15 24 o 10.999  0.4403 ?       ?         0.77   -2.14  -0.24  0.17   
1 1 1 24 15 25 o 11.387  0.5436 ?       ?         -0.20  -1.95  -0.08  0.01   
1 1 1 24 15 26 o 6.3274  0.9291 ?       ?         -0.49  0.28   -0.00  -0.00  
1 1 1 24 16 0  o 13.031  0.2040 11.356  -0.2000   0.28   0.00   0.00   0.00   
1 1 1 24 16 1  o 13.525  0.1177 12.587  -152.4000 -0.67  -0.44  -1.45  -1.18  
1 1 1 24 16 2  o 26.765  0.3559 27.864  63.400    0.84   3.53   0.69   -0.50  
1 1 1 24 16 3  o 16.460  0.2263 19.329  4.8000    -0.27  1.44   0.29   0.07   
1 1 1 24 16 4  o 13.940  0.1080 9.2237  -130.0000 0.94   -1.90  1.51   3.75   
1 1 1 24 16 5  o 25.040  0.4050 21.890  -58.0000  -0.11  -6.31  2.44   0.37   
1 1 1 24 16 6  o 10.499  0.2076 8.5259  58.400    0.11   2.49   1.32   0.06   
1 1 1 24 16 7  o 14.327  0.5474 18.795  -22.2000  13.07  1.77   -4.17  -0.90  
1 1 1 24 16 8  o 16.516  0.3324 16.573  151.600   -3.91  -1.69  -0.89  -1.28  
1 1 1 24 16 9  o 14.289  0.1503 11.615  -169.7000 0.68   -0.34  -0.08  0.17   
1 1 1 24 16 10 o 26.338  0.1586 23.854  146.300   -0.50  -0.00  0.11   -0.64  
1 1 1 24 16 11 o 30.352  0.1896 27.778  -20.6000  0.14   -0.26  0.11   -0.05  
1 1 1 24 16 12 o 8.7268  0.1855 9.9559  -120.7000 -0.21  -0.04  -0.06  0.00   
1 1 1 24 16 13 o 6.0571  0.2394 4.0126  26.100    0.29   -0.38  0.04   0.08   
1 1 1 24 16 14 o 9.5963  0.1712 12.717  49.500    0.09   -0.10  -0.07  0.02   
1 1 1 24 16 15 o 7.4392  0.2467 3.9523  -123.5000 -0.56  -0.90  -0.13  -0.83  
1 1 1 24 16 16 o 13.457  0.1742 11.809  26.200    0.61   0.14   0.56   -0.16  
1 1 1 24 16 17 o 19.072  0.3625 20.449  -20.9000  1.40   -1.90  0.26   0.23   
1 1 1 24 16 18 f 11.919  0.2034 13.724  14.600    0.43   0.25   -0.15  0.02   
1 1 1 24 16 19 o 8.9985  0.3826 7.3162  12.200    -0.06  1.15   0.09   0.06   
1 1 1 24 16 20 f 9.5351  0.7077 9.5125  161.300   -2.00  -2.81  0.15   -0.21  
1 1 1 24 16 21 o 2.6219  1.2059 1.5483  -77.3000  0.36   0.11   -0.01  -0.02  
1 1 1 24 16 22 f 2.7377  0.6967 4.3620  -136.2000 0.03   0.06   -0.00  -0.00  
1 1 1 24 16 23 o 6.2476  0.4117 6.9681  0.0000    -0.10  -0.36  -0.01  0.04   
1 1 1 24 16 24 o 5.6597  0.9205 ?       ?         0.15   0.87   0.03   0.03   
1 1 1 24 16 25 o 2.9868  1.0579 ?       ?         -0.31  -0.62  -0.05  0.02   
1 1 1 24 16 26 o 6.3924  1.2909 ?       ?         -0.34  0.49   0.00   -0.00  
1 1 1 24 17 0  f 12.202  0.1737 14.061  0.1000    -0.12  0.00   0.00   0.00   
1 1 1 24 17 1  o 35.699  0.5793 31.930  62.800    -3.52  -2.09  -0.33  -0.42  
1 1 1 24 17 2  o 25.833  0.2367 15.448  -77.2000  6.14   -0.46  -5.62  -0.53  
1 1 1 24 17 3  o 47.001  0.7372 47.893  -86.8000  -12.44 -2.03  -3.12  -0.45  
1 1 1 24 17 4  o 8.5241  0.1221 0.9717  8.0000    -0.79  -0.49  -0.35  -0.46  
1 1 1 24 17 5  o 55.508  0.6842 54.621  25.300    4.80   10.72  3.75   -2.00  
1 1 1 24 17 6  o 26.363  0.1538 27.152  174.900   -0.12  -0.51  -0.27  -0.86  
1 1 1 24 17 7  o 19.724  0.1501 17.560  153.600   -1.71  -0.71  -0.57  -1.84  
1 1 1 24 17 8  o 14.445  0.4632 16.350  114.900   -3.30  3.53   -0.02  1.00   
1 1 1 24 17 9  o 22.904  0.2064 28.140  131.300   1.49   5.19   4.05   -4.97  
1 1 1 24 17 10 o 15.349  0.2727 9.0969  -163.6000 -3.23  0.36   -1.20  0.05   
1 1 1 24 17 11 o 8.4079  0.5059 13.193  -35.8000  4.83   -4.04  -0.15  1.37   
1 1 1 24 17 12 o 14.523  0.1814 12.681  -75.1000  -0.64  -0.97  0.18   -0.22  
1 1 1 24 17 13 o 24.166  0.1632 23.395  55.500    0.39   0.49   -0.38  -0.22  
1 1 1 24 17 14 o 8.0873  0.2173 9.9064  -111.3000 0.26   0.41   0.11   -0.08  
1 1 1 24 17 15 o 7.0324  0.2663 9.7230  159.800   -0.01  -1.01  0.16   -0.04  
1 1 1 24 17 16 o 4.7231  0.3369 2.4694  53.000    -0.15  -0.45  0.03   -0.18  
1 1 1 24 17 17 o 11.387  0.1916 9.1841  11.100    0.93   0.20   0.33   -0.79  
1 1 1 24 17 18 o 2.5362  0.5557 3.8137  -108.7000 -0.08  -0.05  0.00   -0.01  
1 1 1 24 17 19 o 1.3089  0.8083 2.0100  112.300   -0.08  0.11   0.01   0.01   
1 1 1 24 17 20 o 4.6828  0.4194 3.1554  41.600    -0.08  -0.08  0.01   -0.00  
1 1 1 24 17 21 o 2.4664  0.7082 2.5092  141.000   -0.01  -0.51  0.05   -0.09  
1 1 1 24 17 22 o 12.889  0.2541 11.646  -148.2000 -1.30  0.34   0.19   -0.24  
1 1 1 24 17 23 o 9.7293  0.3136 10.028  -130.1000 -0.79  -0.38  -0.01  0.14   
1 1 1 24 17 24 o 10.041  0.4112 ?       ?         -0.42  1.21   -0.00  -0.07  
1 1 1 24 17 25 o 14.603  0.4566 ?       ?         0.53   0.24   0.00   0.01   
1 1 1 24 17 26 o 9.9649  0.7526 ?       ?         0.55   -1.09  -0.01  0.01   
1 1 1 24 18 0  o 15.502  0.1943 21.993  -180.0000 -0.31  0.00   0.00   0.00   
1 1 1 24 18 1  o 5.4487  0.1159 7.4889  23.200    -0.50  0.27   -0.10  0.12   
1 1 1 24 18 2  f 18.391  0.4160 21.455  58.400    2.06   -1.77  -0.01  0.43   
1 1 1 24 18 3  o 31.062  0.4952 34.151  -7.1000   1.69   -3.83  0.62   0.45   
1 1 1 24 18 4  o 21.277  0.3484 11.919  -69.7000  -5.02  -2.62  -1.65  -1.69  
1 1 1 24 18 5  o 11.009  0.1546 11.172  -121.7000 -0.89  1.13   0.81   1.43   
1 1 1 24 18 6  o 41.981  0.2122 36.837  -85.4000  0.23   -0.22  0.02   0.03   
1 1 1 24 18 7  o 17.875  0.1698 13.835  -170.3000 -0.55  -1.65  0.93   -0.31  
1 1 1 24 18 8  f 26.700  0.2414 30.886  -12.1000  3.00   -3.28  0.77   2.21   
1 1 1 24 18 9  o 27.373  0.1965 28.200  -93.5000  -0.58  -0.29  -0.17  -0.04  
1 1 1 24 18 10 o 11.748  0.1335 9.6717  115.300   0.07   0.09   -0.09  -0.07  
1 1 1 24 18 11 o 32.742  0.1722 30.048  -104.1000 0.06   -0.75  -0.40  0.68   
1 1 1 24 18 12 o 19.380  0.1652 19.069  -126.1000 0.07   0.10   0.01   -0.01  
1 1 1 24 18 13 f 34.368  0.1935 34.109  -10.2000  0.58   -0.25  0.23   -0.17  
1 1 1 24 18 14 o 15.877  0.1595 21.664  -23.3000  0.43   -0.06  -0.10  -0.06  
1 1 1 24 18 15 o 33.303  0.1823 39.485  -32.1000  2.50   -0.52  2.57   -0.94  
1 1 1 24 18 16 o 6.4139  0.3409 8.0049  -72.9000  1.22   -0.63  -0.21  0.15   
1 1 1 24 18 17 o 15.495  0.1828 15.921  36.300    2.25   0.33   -0.95  0.73   
1 1 1 24 18 18 o 18.263  0.1751 18.837  63.900    0.13   0.39   -0.02  0.11   
1 1 1 24 18 19 o 5.0368  0.3503 5.6744  -70.6000  -0.12  -0.82  0.09   -0.12  
1 1 1 24 18 20 o 13.742  0.1909 13.000  -59.3000  -0.15  -0.30  0.01   0.05   
1 1 1 24 18 21 o 9.9386  0.4363 12.054  -126.5000 0.88   0.72   0.05   -0.07  
1 1 1 24 18 22 o 5.0503  0.4911 5.8197  53.600    0.01   -0.02  -0.00  0.00   
1 1 1 24 18 23 o 3.3411  0.6938 ?       ?         -0.19  -0.11  0.01   -0.00  
1 1 1 24 18 24 o 6.0158  0.7226 ?       ?         -0.22  -0.44  0.01   0.01   
1 1 1 24 18 25 o 6.1345  0.6784 ?       ?         -0.82  -0.08  0.03   0.00   
1 1 1 24 18 26 o 3.8307  1.8500 ?       ?         -0.16  0.13   0.00   -0.00  
1 1 1 24 19 0  o 69.348  0.6196 68.673  -180.0000 -0.41  0.00   0.00   0.00   
1 1 1 24 19 1  o 35.920  0.2828 30.294  17.600    0.83   -2.67  1.27   0.10   
1 1 1 24 19 2  o 26.896  0.2837 21.124  166.200   -5.87  -1.21  -3.49  -2.99  
1 1 1 24 19 3  o 39.114  0.1978 48.445  -107.3000 0.22   -0.71  -1.27  -0.30  
1 1 1 24 19 4  o 11.303  0.2391 7.5250  -177.9000 -4.04  2.32   -1.40  1.96   
1 1 1 24 19 5  o 46.307  0.2140 48.637  -158.8000 -0.21  -0.24  0.02   -0.01  
1 1 1 24 19 6  o 7.9484  0.3301 16.455  -19.1000  -3.47  -4.47  0.49   -2.81  
1 1 1 24 19 7  o 9.3546  0.1379 13.079  -105.8000 0.18   -0.68  0.22   0.07   
1 1 1 24 19 8  o 27.793  0.1586 24.250  141.600   0.71   0.33   -0.72  -0.01  
1 1 1 24 19 9  o 24.049  0.5998 19.216  -118.6000 1.93   -6.84  1.09   0.94   
1 1 1 24 19 10 o 24.464  0.2087 30.545  151.900   -0.67  2.25   0.89   0.22   
1 1 1 24 19 11 o 18.355  0.2987 15.351  84.200    0.17   1.27   0.14   -0.08  
1 1 1 24 19 12 f 24.230  0.1657 25.061  -144.1000 -0.93  -0.02  -0.29  0.78   
1 1 1 24 19 13 o 11.143  0.2527 10.237  -2.4000   0.72   -1.87  0.62   0.27   
1 1 1 24 19 14 o 9.8077  0.1918 10.243  -166.1000 -2.03  -0.68  -0.51  -0.82  
1 1 1 24 19 15 o 15.636  0.1872 15.325  33.500    0.16   -0.02  0.02   0.02   
1 1 1 24 19 16 o 22.442  0.3328 21.514  125.800   -2.82  -0.61  -0.57  0.16   
1 1 1 24 19 17 o 9.1017  0.2188 7.2786  95.800    -0.41  -0.24  -0.05  0.59   
1 1 1 24 19 18 o 19.823  0.4492 21.498  14.200    0.28   1.04   0.06   0.01   
1 1 1 24 19 19 o 8.5732  0.2469 6.8285  115.000   -0.27  0.21   -0.06  -0.06  
1 1 1 24 19 20 o 10.491  0.2327 8.7750  -9.3000   0.69   0.03   0.19   -0.09  
1 1 1 24 19 21 o 8.2569  0.3067 7.4625  160.200   0.74   -0.02  -0.04  -0.06  
1 1 1 24 19 22 o 5.2961  0.5004 5.9001  39.800    0.04   -0.33  -0.03  -0.01  
1 1 1 24 19 23 f 3.1012  0.7654 ?       ?         -0.00  0.03   -0.00  0.00   
1 1 1 24 19 24 o 3.5317  0.8222 ?       ?         0.24   0.48   -0.04  0.01   
1 1 1 24 19 25 o 3.2629  1.2696 ?       ?         0.33   0.22   0.01   0.01   
1 1 1 24 19 26 o 7.3539  0.8377 ?       ?         0.83   0.31   0.01   -0.01  
1 1 1 24 20 0  o 52.468  0.5423 40.430  -180.0000 -0.87  0.00   0.00   0.00   
1 1 1 24 20 1  o 21.702  0.2061 26.135  138.200   0.11   0.61   0.17   -0.32  
1 1 1 24 20 2  o 8.7262  0.2299 6.9757  -21.3000  2.08   1.05   -0.53  -0.95  
1 1 1 24 20 3  o 35.171  0.2640 39.731  -168.0000 -0.67  2.26   0.70   0.13   
1 1 1 24 20 4  o 9.2799  0.1052 11.702  177.500   0.27   -0.02  -0.08  0.03   
1 1 1 24 20 5  o 26.041  0.1430 27.959  127.500   0.67   0.85   -0.18  -0.51  
1 1 1 24 20 6  o 37.176  0.5593 33.110  -52.7000  4.13   -3.62  -0.43  1.03   
1 1 1 24 20 7  o 29.161  0.2993 33.387  -112.2000 -3.12  -1.95  -0.68  -0.83  
1 1 1 24 20 8  o 13.367  0.2134 14.269  -70.3000  0.23   0.33   0.02   -0.03  
1 1 1 24 20 9  o 25.602  0.3703 21.262  31.300    0.05   5.29   1.48   0.28   
1 1 1 24 20 10 o 22.363  0.2058 18.857  -71.8000  0.67   0.28   -0.09  -0.04  
1 1 1 24 20 11 o 7.6641  0.2630 5.4406  163.900   -2.15  -1.28  -0.52  -0.69  
1 1 1 24 20 12 o 11.035  0.6014 10.487  97.400    2.45   8.68   1.36   -0.70  
1 1 1 24 20 13 o 12.367  0.5210 12.146  -137.6000 -3.28  -1.03  -0.30  -0.15  
1 1 1 24 20 14 o 11.810  0.4495 12.537  -53.9000  -2.14  -2.43  0.13   -0.39  
1 1 1 24 20 15 o 12.018  0.2572 8.4320  -0.9000   1.17   1.36   -0.17  -0.41  
1 1 1 24 20 16 o 18.232  0.1544 18.026  15.300    -0.13  0.39   0.05   -0.09  
1 1 1 24 20 17 o 15.145  0.1851 15.935  86.100    -0.62  -0.00  0.23   -0.30  
1 1 1 24 20 18 o 7.0958  0.2984 6.2605  163.000   0.15   -0.14  -0.00  -0.07  
1 1 1 24 20 19 o 6.5991  0.3565 7.3866  -123.9000 0.38   -0.85  0.01   0.11   
1 1 1 24 20 20 o 8.6783  0.3045 8.9803  102.100   -0.71  1.04   0.21   0.05   
1 1 1 24 20 21 o 6.7422  0.3852 7.4675  -147.0000 -0.35  0.10   -0.01  -0.01  
1 1 1 24 20 22 o 4.6094  0.5417 5.2065  104.500   0.28   0.13   0.01   0.02   
1 1 1 24 20 23 o 12.054  0.4980 ?       ?         1.83   -2.59  0.38   -0.15  
1 1 1 24 20 24 o 8.7896  0.5771 ?       ?         0.39   0.45   -0.01  0.00   
1 1 1 24 20 25 o 2.0792  1.2425 ?       ?         0.34   0.23   0.00   0.02   
1 1 1 24 20 26 o 6.0536  2.7256 ?       ?         -0.29  -0.49  0.00   0.00   
1 1 1 24 21 0  f 37.616  0.4050 28.922  0.0000    0.36   0.00   0.00   0.00   
1 1 1 24 21 1  o 23.192  0.3084 24.454  -1.2000   1.82   1.73   -0.20  -0.65  
1 1 1 24 21 2  o 36.187  0.2245 32.158  22.400    0.20   1.06   0.63   0.75   
1 1 1 24 21 3  o 8.0534  0.4402 13.283  -67.9000  2.82   -5.45  0.82   1.07   
1 1 1 24 21 4  o 15.305  0.0997 18.266  -59.3000  -0.18  -0.00  -0.04  0.24   
1 1 1 24 21 5  o 48.300  0.3080 41.532  -168.8000 -0.70  -0.16  -0.03  -0.06  
1 1 1 24 21 6  o 11.854  0.2627 6.2936  147.200   -0.21  4.08   1.56   0.00   
1 1 1 24 21 7  o 8.6297  0.5058 7.1276  116.900   -5.41  6.61   0.46   1.86   
1 1 1 24 21 8  o 21.027  0.1327 21.354  164.800   -1.14  -1.14  0.76   -1.20  
1 1 1 24 21 9  o 20.960  0.8862 19.127  60.600    7.79   22.40  4.12   -2.83  
1 1 1 24 21 10 o 19.530  0.1885 15.860  116.300   -0.71  0.54   0.02   0.16   
1 1 1 24 21 11 o 13.085  0.1437 14.160  151.600   -0.18  -0.14  -0.02  0.57   
1 1 1 24 21 12 f 35.463  0.2156 36.249  -139.2000 -0.33  -0.67  -0.13  0.29   
1 1 1 24 21 13 o 15.910  0.2370 16.990  -104.0000 -1.65  -0.84  -0.11  -0.44  
1 1 1 24 21 14 o 7.5906  0.2203 6.9437  -129.5000 -0.82  0.06   -0.52  -0.46  
1 1 1 24 21 15 o 3.6796  0.3889 3.5585  47.000    0.27   0.00   -0.01  0.01   
1 1 1 24 21 16 f 7.6513  0.2507 8.7249  -53.0000  0.20   -0.27  0.18   -0.14  
1 1 1 24 21 17 o 21.363  0.1583 19.372  125.100   -0.88  -0.24  0.28   0.34   
1 1 1 24 21 18 o 11.383  0.1931 12.746  84.000    0.26   -0.12  0.07   -0.03  
1 1 1 24 21 19 o 4.6539  0.4186 4.5166  -179.3000 -0.20  0.26   -0.00  0.01   
1 1 1 24 21 20 o 9.0964  0.2839 8.5593  -128.5000 0.56   0.62   -0.08  -0.05  
1 1 1 24 21 21 o 8.2520  0.3250 6.9185  10.0000   0.09   -0.01  -0.00  0.00   
1 1 1 24 21 22 o 5.3394  0.4071 6.0459  62.000    0.25   0.72   0.07   0.09   
1 1 1 24 21 23 o 3.0425  1.4312 ?       ?         0.05   0.19   0.00   0.00   
1 1 1 24 21 24 f 6.7863  0.7544 ?       ?         0.57   0.88   0.03   0.01   
1 1 1 24 21 25 o 3.4729  1.0696 ?       ?         0.09   0.36   -0.01  0.01   
1 1 1 24 21 26 o 3.2746  1.3857 ?       ?         0.50   0.23   0.01   0.00   
1 1 1 24 22 0  o 17.289  0.2565 18.679  -0.2000   0.14   0.00   0.00   0.00   
1 1 1 24 22 1  o 37.372  0.3191 33.505  -21.1000  1.99   2.63   1.00   -0.97  
1 1 1 24 22 2  o 22.178  0.3145 18.538  84.300    -0.25  2.14   0.46   0.25   
1 1 1 24 22 3  o 20.974  0.7005 18.183  80.900    -1.99  6.88   0.74   0.58   
1 1 1 24 22 4  o 10.718  0.3038 8.7549  4.3000    0.62   -0.91  0.05   0.09   
1 1 1 24 22 5  o 36.988  0.2224 36.646  -4.7000   3.02   -1.02  -0.71  1.48   
1 1 1 24 22 6  o 33.465  0.2567 31.315  126.000   -1.72  2.96   0.98   0.86   
1 1 1 24 22 7  f 17.179  0.2112 12.247  145.200   2.50   2.81   1.02   -2.43  
1 1 1 24 22 8  o 20.301  0.1558 13.132  -63.3000  -1.52  -0.41  -0.67  -0.11  
1 1 1 24 22 9  o 18.064  0.1329 23.463  157.000   -0.16  0.08   0.18   0.01   
1 1 1 24 22 10 f 13.221  0.1308 13.137  -90.6000  -0.02  -0.30  0.09   -0.27  
1 1 1 24 22 11 o 4.4130  0.2953 5.4322  -31.7000  -0.11  -0.30  0.01   -0.01  
1 1 1 24 22 12 o 18.029  0.1572 17.274  100.400   -0.00  1.13   0.43   -0.49  
1 1 1 24 22 13 o 9.6580  0.2076 8.5211  129.600   -0.89  1.04   0.16   0.28   
1 1 1 24 22 14 o 8.0271  0.5466 5.1074  15.100    0.33   3.54   0.42   -0.01  
1 1 1 24 22 15 o 14.400  0.3469 16.306  153.300   -2.18  -2.29  0.32   -0.60  
1 1 1 24 22 16 o 16.185  0.1565 15.774  -79.6000  -0.16  -0.04  -0.00  -0.01  
1 1 1 24 22 17 f 15.398  0.1844 12.556  -169.5000 -0.57  -0.03  0.01   0.18   
1 1 1 24 22 18 o 10.793  0.2200 10.846  142.000   0.29   1.38   -0.45  -0.79  
1 1 1 24 22 19 o 11.450  0.2854 12.430  39.300    1.24   -0.72  0.06   0.19   
1 1 1 24 22 20 f 11.826  0.2107 13.037  -154.0000 0.37   0.36   0.06   0.07   
1 1 1 24 22 21 o 1.6225  0.9807 1.7317  -93.8000  -0.05  -0.15  0.01   0.01   
1 1 1 24 22 22 o 2.6072  0.7602 1.7890  76.900    0.08   -0.27  -0.04  0.01   
1 1 1 24 22 23 o 4.4174  0.7345 ?       ?         -0.05  -0.74  -0.04  -0.02  
1 1 1 24 22 24 o 4.6738  0.7478 ?       ?         0.23   -0.49  -0.01  -0.01  
1 1 1 24 22 25 o 10.756  0.4976 ?       ?         2.05   2.93   -0.01  0.16   
1 1 1 24 23 0  o 13.267  0.4128 10.342  -0.1000   0.14   0.00   0.00   0.00   
1 1 1 24 23 1  o 14.237  0.1845 14.962  62.400    0.04   -0.41  0.11   -0.03  
1 1 1 24 23 2  o 11.298  0.6037 10.001  -50.6000  5.71   -4.00  -0.39  1.38   
1 1 1 24 23 3  f 38.619  0.2298 39.593  -21.1000  0.15   -0.85  0.22   -0.17  
1 1 1 24 23 4  o 39.545  0.2938 43.412  -89.9000  1.64   -2.89  0.15   1.03   
1 1 1 24 23 5  o 17.641  0.3396 18.480  62.300    7.04   2.61   -2.13  -1.50  
1 1 1 24 23 6  o 9.8627  0.1271 12.093  -117.9000 0.19   -0.81  0.45   0.48   
1 1 1 24 23 7  o 18.525  0.1671 17.604  -68.9000  -0.17  -0.37  0.34   0.09   
1 1 1 24 23 8  o 28.325  0.1556 30.970  -36.0000  1.45   0.35   -0.36  -0.73  
1 1 1 24 23 9  o 3.3096  0.3059 5.5029  -3.6000   -0.89  -0.25  -0.30  -0.13  
1 1 1 24 23 10 o 8.9331  0.1664 7.8726  2.5000    0.03   -0.06  -0.05  0.03   
1 1 1 24 23 11 o 12.454  0.3154 13.336  -131.1000 1.54   -3.35  0.43   0.69   
1 1 1 24 23 12 o 9.9151  0.1796 8.8806  117.800   0.07   -0.20  0.05   -0.25  
1 1 1 24 23 13 o 24.485  0.1610 26.402  -6.9000   1.83   0.07   1.04   -2.12  
1 1 1 24 23 14 o 3.9611  0.7045 1.7002  128.500   -0.40  1.43   0.12   0.05   
1 1 1 24 23 15 f 13.950  0.1649 15.984  -36.3000  1.25   -0.13  -0.42  -0.63  
1 1 1 24 23 16 o 25.082  0.1768 24.248  59.600    0.51   2.83   -3.48  0.25   
1 1 1 24 23 17 o 22.408  0.2972 21.626  -176.3000 -2.14  0.45   -0.27  -0.28  
1 1 1 24 23 18 o 6.5815  0.3097 7.8210  -137.2000 0.12   0.39   0.01   0.14   
1 1 1 24 23 19 o 8.7248  0.2676 9.5502  122.300   -0.20  0.48   -0.07  0.05   
1 1 1 24 23 20 o 5.7611  0.3827 4.3452  -108.3000 -0.44  0.29   -0.07  -0.07  
1 1 1 24 23 21 o 8.3551  0.3232 9.1656  -121.6000 -0.22  -0.34  0.02   0.03   
1 1 1 24 23 22 o 8.3154  0.5751 ?       ?         1.16   -0.23  -0.04  -0.05  
1 1 1 24 23 23 o 6.3203  0.5502 ?       ?         0.92   0.80   0.02   0.10   
1 1 1 24 23 24 o 10.483  0.4413 ?       ?         0.03   -2.67  -0.22  0.03   
1 1 1 24 23 25 f 5.0437  0.8527 ?       ?         0.03   -0.34  -0.00  0.00   
1 1 1 24 24 0  o 19.624  0.4263 13.349  0.3000    0.27   0.00   0.00   0.00   
1 1 1 24 24 1  o 8.8261  0.3433 14.458  -89.9000  -0.00  -0.05  0.00   0.00   
1 1 1 24 24 2  o 12.795  0.3239 13.308  0.1000    -0.02  0.00   0.00   0.00   
1 1 1 24 24 3  o 17.044  0.2515 13.283  -89.9000  -0.00  -0.28  0.00   0.00   
1 1 1 24 24 4  o 29.683  0.2323 25.584  179.900   -0.06  0.00   0.00   0.00   
1 1 1 24 24 5  o 5.4498  0.2287 4.5135  90.000    0.00   0.05   0.00   0.00   
1 1 1 24 24 6  f 3.8341  0.3125 11.137  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 24 24 7  o 10.578  0.1858 13.797  89.900    0.00   0.13   0.00   0.00   
1 1 1 24 24 8  o 48.236  0.3080 44.592  180.000   -0.72  0.00   0.00   0.00   
1 1 1 24 24 9  o 6.5192  0.2580 2.7359  90.300    -0.00  -0.00  0.00   0.00   
1 1 1 24 24 10 o 11.318  0.2591 3.1809  -179.9000 0.19   0.00   0.00   0.00   
1 1 1 24 24 11 o 7.1903  0.3129 5.0958  89.800    -0.00  -0.09  0.00   0.00   
1 1 1 24 24 12 o 2.9155  0.5653 2.2587  -180.0000 -0.03  0.00   0.00   0.00   
1 1 1 24 24 13 o 4.1833  0.5081 2.2102  -90.1000  -0.00  -0.04  0.00   0.00   
1 1 1 24 24 14 o 10.281  0.2515 5.3933  -180.0000 -0.05  0.00   0.00   0.00   
1 1 1 24 24 15 o 8.2885  0.3360 6.2866  90.000    -0.00  -0.18  0.00   0.00   
1 1 1 24 24 16 o 6.3640  0.4262 4.9925  180.000   -0.01  0.00   0.00   0.00   
1 1 1 24 24 17 o 3.5917  0.6604 5.7911  -90.0000  -0.00  -0.00  0.00   0.00   
1 1 1 24 24 18 o 3.0166  0.7708 1.9469  180.000   -0.04  0.00   0.00   0.00   
1 1 1 24 24 19 o 12.938  0.3094 12.818  -90.0000  0.00   0.53   0.00   0.00   
1 1 1 24 24 20 o 7.5631  0.5070 6.3951  180.000   0.23   0.00   0.00   0.00   
1 1 1 24 24 21 o 8.4321  0.4497 6.7118  90.000    0.00   0.24   0.00   0.00   
1 1 1 24 24 22 o 4.6583  0.9609 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 24 24 23 o 5.6036  0.7494 ?       ?         -0.00  -0.41  0.00   0.00   
1 1 1 24 24 24 o 12.104  0.5563 ?       ?         0.59   0.00   0.00   0.00   
1 1 1 24 24 25 f 2.5884  1.7192 ?       ?         0.00   0.10   0.00   0.00   
1 1 1 25 0  1  o 23.569  0.2311 39.400  45.000    -0.06  -0.06  0.00   0.00   
1 1 1 25 0  2  o 87.820  0.5027 91.574  -0.0000   0.45   0.00   0.00   0.00   
1 1 1 25 0  3  o 46.439  0.2953 50.517  135.000   -0.20  0.20   0.00   0.00   
1 1 1 25 0  4  f 16.724  0.2009 14.564  89.900    -0.00  -0.25  0.00   0.00   
1 1 1 25 0  5  o 29.808  0.2214 36.218  -135.0000 -0.04  -0.04  0.00   0.00   
1 1 1 25 0  6  o 42.742  0.2720 39.225  -180.0000 -0.36  0.00   0.00   0.00   
1 1 1 25 0  7  o 24.205  0.2150 17.137  135.000   0.03   -0.03  0.00   0.00   
1 1 1 25 0  8  o 8.4558  0.2133 9.3809  -89.9000  0.00   0.14   0.00   0.00   
1 1 1 25 0  9  o 14.450  0.2215 22.695  44.900    0.03   0.03   0.00   0.00   
1 1 1 25 0  10 o 3.6194  0.4074 0.2030  179.400   0.01   0.00   0.00   0.00   
1 1 1 25 0  11 o 60.684  0.3889 67.977  -45.0000  0.54   -0.54  0.00   0.00   
1 1 1 25 0  12 o 4.1713  0.3928 9.1117  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 25 0  13 f 20.601  0.2043 30.941  44.900    0.00   0.00   0.00   0.00   
1 1 1 25 0  14 o 12.414  0.2719 12.055  179.900   -0.01  0.00   0.00   0.00   
1 1 1 25 0  15 o 6.2530  0.3693 5.0804  134.800   0.03   -0.03  0.00   0.00   
1 1 1 25 0  16 o 27.412  0.2638 26.244  90.000    0.00   0.43   0.00   0.00   
1 1 1 25 0  17 o 10.436  0.2890 9.9316  45.000    -0.02  -0.02  0.00   0.00   
1 1 1 25 0  18 o 7.0781  0.3879 0.8744  0.0000    -0.06  0.00   0.00   0.00   
1 1 1 25 0  19 o 9.1761  0.3715 6.5150  135.000   -0.13  0.13   0.00   0.00   
1 1 1 25 0  20 o 3.7283  0.6721 3.6695  -90.0000  0.00   0.04   0.00   0.00   
1 1 1 25 0  21 f 4.0373  0.6259 1.7578  -135.0000 0.04   0.04   0.00   0.00   
1 1 1 25 0  22 o 4.2190  0.6147 3.3193  0.0000    0.07   0.00   0.00   0.00   
1 1 1 25 0  23 o 8.5965  0.4156 7.8266  135.000   0.28   -0.28  0.00   0.00   
1 1 1 25 0  24 o 7.3959  0.6387 5.7442  90.000    -0.00  -0.32  0.00   0.00   
1 1 1 25 0  25 f 0.0000  3.2558 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 25 1  0  o 43.580  0.2714 36.112  0.1000    0.22   0.00   0.00   0.00   
1 1 1 25 1  1  o 41.046  0.1936 42.103  171.800   -0.23  1.33   1.05   -0.05  
1 1 1 25 1  2  o 12.611  0.1263 2.7622  -32.9000  -1.44  -2.99  2.50   -3.74  
1 1 1 25 1  3  o 22.497  0.5093 35.508  -28.5000  6.60   -5.07  -0.53  1.71   
1 1 1 25 1  4  o 14.407  0.3398 26.276  -177.4000 -1.29  -2.40  0.26   -0.45  
1 1 1 25 1  5  o 35.860  0.3131 43.827  -86.2000  -2.90  -5.74  1.74   -3.77  
1 1 1 25 1  6  o 32.003  0.1875 27.305  -167.6000 -0.82  2.22   4.09   0.48   
1 1 1 25 1  7  o 8.2542  0.4030 2.9320  155.100   -3.27  -4.28  0.43   -1.37  
1 1 1 25 1  8  o 14.349  0.3784 13.959  134.400   0.92   4.09   0.99   -0.59  
1 1 1 25 1  9  o 20.229  0.1538 22.395  157.400   0.21   2.10   1.55   -0.90  
1 1 1 25 1  10 o 16.601  0.1444 23.459  168.400   0.14   0.57   0.26   -0.56  
1 1 1 25 1  11 o 15.851  0.1958 9.0320  20.300    0.62   -0.30  -0.04  0.07   
1 1 1 25 1  12 f 13.378  0.3722 16.689  -127.5000 -1.55  -2.86  0.51   -0.60  
1 1 1 25 1  13 o 29.627  0.4697 27.987  118.200   -0.69  4.95   0.87   0.43   
1 1 1 25 1  14 o 29.415  0.1683 30.929  21.500    0.25   0.26   0.20   0.15   
1 1 1 25 1  15 o 4.3842  0.3045 1.3979  -141.5000 -0.31  -1.57  0.55   -0.33  
1 1 1 25 1  16 o 18.878  0.2720 14.281  47.000    1.10   1.42   0.24   -0.31  
1 1 1 25 1  17 o 17.152  0.3034 12.422  -158.4000 -1.80  -0.18  -0.24  -0.17  
1 1 1 25 1  18 o 6.3065  0.2845 5.4031  -87.6000  0.19   0.40   -0.02  -0.17  
1 1 1 25 1  19 o 16.760  0.1675 19.032  -69.1000  0.34   -1.15  -0.25  0.72   
1 1 1 25 1  20 o 7.1481  0.3453 7.1380  -29.3000  -0.05  -0.77  0.07   -0.05  
1 1 1 25 1  21 o 3.2356  0.7487 2.7335  -175.4000 -0.11  -0.48  0.02   -0.03  
1 1 1 25 1  22 f 8.7372  0.3665 9.8375  67.400    0.41   -0.99  0.12   -0.00  
1 1 1 25 1  23 o 7.3430  0.3776 7.5658  103.300   -0.69  0.79   -0.10  0.09   
1 1 1 25 1  24 o 2.5314  0.9497 2.2914  59.700    0.13   0.25   -0.04  0.01   
1 1 1 25 1  25 o 5.3084  0.6034 ?       ?         -0.22  -0.45  -0.02  -0.01  
1 1 1 25 2  0  o 18.317  0.2265 8.3690  -179.9000 0.02   0.00   0.00   0.00   
1 1 1 25 2  1  o 56.638  0.6194 69.894  -62.5000  -1.24  -12.29 4.43   -1.57  
1 1 1 25 2  2  o 55.663  0.6122 65.849  83.800    2.08   1.77   -0.01  -0.24  
1 1 1 25 2  3  o 33.978  0.1804 31.753  -8.9000   -0.24  -0.33  -0.04  -0.14  
1 1 1 25 2  4  o 33.983  0.4951 44.816  -162.4000 -4.62  -0.25  -0.82  0.01   
1 1 1 25 2  5  o 17.653  0.3821 17.104  -119.3000 -1.64  -0.01  -0.15  0.01   
1 1 1 25 2  6  o 9.2055  0.5287 10.028  -46.8000  5.71   -4.94  -0.30  1.71   
1 1 1 25 2  7  o 24.019  0.1474 14.561  98.300    -0.57  -0.59  -0.06  -0.23  
1 1 1 25 2  8  o 22.399  0.2796 23.304  -51.8000  -0.56  -3.75  1.91   -0.14  
1 1 1 25 2  9  o 15.330  0.2329 10.301  135.900   3.14   4.11   0.45   -4.77  
1 1 1 25 2  10 o 36.672  0.2358 32.190  -105.6000 -1.23  -1.91  -0.16  -1.12  
1 1 1 25 2  11 o 11.754  0.4537 12.141  -44.5000  7.79   -3.44  -1.61  1.97   
1 1 1 25 2  12 o 6.6752  0.3022 4.5113  50.400    0.92   3.37   1.57   -0.73  
1 1 1 25 2  13 o 5.5326  0.2652 3.7843  -159.0000 -0.05  -0.16  -0.33  -0.73  
1 1 1 25 2  14 o 15.607  0.3378 13.411  112.000   -3.27  1.21   -0.73  0.44   
1 1 1 25 2  15 o 17.251  0.2345 15.197  -42.7000  -0.60  -1.12  0.05   -0.27  
1 1 1 25 2  16 o 10.191  0.2380 13.026  118.900   1.04   0.80   -0.16  -0.26  
1 1 1 25 2  17 f 19.096  0.3431 23.282  -26.0000  2.60   -2.55  0.35   0.86   
1 1 1 25 2  18 o 9.9489  0.2110 9.2859  -134.6000 0.08   0.21   -0.05  -0.06  
1 1 1 25 2  19 o 16.675  0.1937 13.876  -72.8000  -1.23  -1.75  -0.49  -0.88  
1 1 1 25 2  20 o 17.555  0.2252 17.876  -119.8000 -0.50  -1.46  0.36   0.20   
1 1 1 25 2  21 o 5.3325  0.3762 5.7567  -129.3000 0.04   0.13   0.00   -0.01  
1 1 1 25 2  22 o 13.290  0.2147 13.435  -40.5000  0.40   -0.60  -0.11  -0.18  
1 1 1 25 2  23 o 14.126  0.2942 13.864  -5.8000   -0.76  -0.79  0.12   -0.02  
1 1 1 25 2  24 o 3.7369  1.4519 2.8447  -38.8000  -0.10  0.04   -0.00  -0.00  
1 1 1 25 2  25 o 11.635  0.6750 ?       ?         0.27   -1.28  0.02   -0.05  
1 1 1 25 3  0  o 118.601 0.6682 111.160 -180.0000 -1.03  0.00   0.00   0.00   
1 1 1 25 3  1  o 43.350  0.3331 50.262  133.200   -3.10  1.37   -0.56  0.88   
1 1 1 25 3  2  o 26.137  0.3791 28.186  65.200    -4.82  4.12   -0.47  2.08   
1 1 1 25 3  3  o 8.4107  0.2813 14.483  -178.9000 -0.61  1.70   0.25   0.19   
1 1 1 25 3  4  o 48.956  0.2244 48.723  59.300    -1.45  2.21   -0.16  1.75   
1 1 1 25 3  5  o 17.920  0.3880 12.448  77.200    1.11   3.66   0.66   -0.51  
1 1 1 25 3  6  o 30.878  0.1953 26.231  51.100    1.55   0.12   -0.51  -0.26  
1 1 1 25 3  7  o 33.580  0.1799 19.660  168.600   -1.67  -1.68  1.15   -2.07  
1 1 1 25 3  8  o 37.380  0.1912 37.310  171.600   -0.24  0.47   -0.00  0.10   
1 1 1 25 3  9  o 42.598  0.2096 39.990  128.800   -0.14  -0.03  0.05   0.01   
1 1 1 25 3  10 o 31.083  0.1740 32.771  -149.3000 -0.46  -1.03  1.63   0.65   
1 1 1 25 3  11 f 29.719  0.1607 29.555  70.900    0.51   0.16   -0.07  -0.15  
1 1 1 25 3  12 o 34.508  0.1887 31.519  -51.0000  0.33   -0.62  -0.65  -1.11  
1 1 1 25 3  13 o 6.2118  0.2180 9.5739  -62.6000  -0.11  0.14   -0.34  0.42   
1 1 1 25 3  14 o 38.393  0.1931 37.649  59.700    0.66   0.46   -0.23  -0.03  
1 1 1 25 3  15 o 20.271  0.2416 21.218  3.2000    1.83   1.87   0.48   -0.94  
1 1 1 25 3  16 o 12.064  0.2238 14.318  -173.5000 -0.70  -0.62  0.03   -0.16  
1 1 1 25 3  17 o 4.8008  0.3510 4.5435  153.700   -0.28  -0.46  -0.07  -0.33  
1 1 1 25 3  18 o 3.1657  0.5035 4.4396  -74.8000  -0.32  -0.20  -0.06  -0.04  
1 1 1 25 3  19 o 14.788  0.1872 14.606  57.500    0.47   0.28   0.15   0.46   
1 1 1 25 3  20 o 9.0779  0.2540 7.0410  86.500    0.12   0.11   -0.02  0.01   
1 1 1 25 3  21 o 9.6947  0.2422 8.7101  -54.9000  0.19   0.27   -0.09  0.05   
1 1 1 25 3  22 o 18.428  0.1853 17.878  6.2000    2.01   1.48   1.14   0.43   
1 1 1 25 3  23 o 2.0291  0.7747 2.0421  29.300    -0.12  -0.09  0.02   -0.00  
1 1 1 25 3  24 o 5.9747  0.8704 7.6409  -94.4000  -1.35  -0.15  -0.07  0.05   
1 1 1 25 3  25 o 5.7504  1.0690 ?       ?         -1.10  -0.14  -0.03  0.05   
1 1 1 25 4  0  o 16.016  0.2308 11.935  -0.1000   0.00   0.00   0.00   0.00   
1 1 1 25 4  1  o 58.691  0.9473 50.731  -18.6000  15.33  -12.81 -1.54  5.36   
1 1 1 25 4  2  o 20.753  0.2528 34.324  -167.3000 -4.60  1.87   -1.63  1.81   
1 1 1 25 4  3  o 7.9395  0.2272 12.979  173.400   -4.45  0.75   -2.89  1.17   
1 1 1 25 4  4  o 47.803  0.2429 52.074  -30.9000  0.47   0.58   -1.39  0.06   
1 1 1 25 4  5  o 13.629  0.8065 4.2568  -6.3000   20.80  -3.29  -4.22  1.48   
1 1 1 25 4  6  o 50.117  0.3311 49.170  -114.7000 -1.45  -1.89  -0.07  -0.59  
1 1 1 25 4  7  o 15.692  0.6585 7.1367  70.400    6.53   2.81   -0.74  -0.71  
1 1 1 25 4  8  o 9.2136  0.6365 13.962  -8.0000   4.83   -5.10  0.13   1.34   
1 1 1 25 4  9  o 24.399  0.1553 17.993  24.300    0.46   -0.38  0.76   0.64   
1 1 1 25 4  10 o 16.710  0.1610 9.6764  103.300   -0.06  0.05   -0.06  -0.03  
1 1 1 25 4  11 o 17.084  0.1371 17.462  -144.6000 0.84   -0.14  -0.58  0.56   
1 1 1 25 4  12 o 24.897  0.1620 25.588  36.100    -0.37  0.66   0.21   0.10   
1 1 1 25 4  13 o 10.611  0.1724 8.5228  12.800    -0.47  -0.65  0.44   -0.46  
1 1 1 25 4  14 o 19.505  0.1588 20.788  -92.6000  -0.02  -0.17  -0.10  0.12   
1 1 1 25 4  15 o 7.4587  0.3670 4.2718  107.700   -1.91  1.27   -0.11  0.43   
1 1 1 25 4  16 o 17.558  0.1544 22.706  -79.1000  2.31   0.08   -1.88  -2.10  
1 1 1 25 4  17 o 6.6098  0.2711 9.5201  -131.1000 -1.15  -0.23  -0.34  -0.01  
1 1 1 25 4  18 o 5.6959  0.2771 1.9020  94.800    -0.16  0.12   -0.03  0.02   
1 1 1 25 4  19 o 14.629  0.1865 14.757  -158.5000 -0.09  0.15   0.02   -0.02  
1 1 1 25 4  20 o 7.5053  0.2884 4.6933  -126.3000 -0.07  -1.17  0.25   0.16   
1 1 1 25 4  21 o 15.488  0.2542 13.791  -98.2000  -1.05  0.08   -0.06  0.11   
1 1 1 25 4  22 o 5.0639  0.4232 4.5461  -91.6000  0.20   -0.33  -0.09  0.03   
1 1 1 25 4  23 o 7.3255  0.3311 7.4346  -22.9000  -0.26  -1.12  -0.22  -0.29  
1 1 1 25 4  24 o 8.0644  0.5234 9.3673  176.400   -2.49  1.30   -0.52  -0.02  
1 1 1 25 4  25 o 3.7475  1.7445 ?       ?         -0.03  -0.28  0.01   0.01   
1 1 1 25 5  0  o 29.168  0.1924 14.227  179.900   -0.29  0.00   0.00   0.00   
1 1 1 25 5  1  o 60.136  0.4456 50.456  165.300   -3.57  -2.08  -0.80  -0.85  
1 1 1 25 5  2  o 23.602  0.5917 26.429  -176.6000 -11.61 1.60   -2.51  0.61   
1 1 1 25 5  3  o 16.702  0.3583 16.736  -122.3000 -2.63  -4.28  0.85   -1.41  
1 1 1 25 5  4  o 29.019  0.5312 29.758  -4.3000   11.13  1.32   -3.79  -1.28  
1 1 1 25 5  5  o 32.439  0.1581 35.746  110.400   -1.02  -0.09  -0.90  -1.70  
1 1 1 25 5  6  f 19.422  0.2240 6.8843  -153.2000 -0.73  -0.88  0.08   -0.22  
1 1 1 25 5  7  o 42.382  0.2570 45.688  168.100   -1.08  0.63   -0.03  0.24   
1 1 1 25 5  8  o 34.976  1.0921 43.812  106.500   -12.35 16.90  0.87   4.04   
1 1 1 25 5  9  o 24.309  0.3624 28.036  30.800    1.12   2.38   0.23   -0.38  
1 1 1 25 5  10 o 44.119  0.2270 32.632  -110.9000 0.17   -0.73  -0.27  0.45   
1 1 1 25 5  11 o 44.074  0.2342 39.480  -78.5000  2.06   -1.00  -0.85  0.33   
1 1 1 25 5  12 o 29.489  0.1808 30.477  -158.6000 -0.25  0.13   -0.10  -0.19  
1 1 1 25 5  13 o 33.630  0.1833 33.359  -70.7000  1.20   -0.13  -0.36  -1.47  
1 1 1 25 5  14 o 17.738  0.1431 17.242  -105.2000 0.05   0.36   -0.74  0.67   
1 1 1 25 5  15 f 24.416  0.3761 21.264  133.900   -3.07  1.69   -0.61  0.47   
1 1 1 25 5  16 o 21.206  0.2134 19.228  55.500    0.05   -0.30  0.02   -0.00  
1 1 1 25 5  17 o 18.736  0.1696 19.019  157.000   0.20   -0.03  0.05   0.03   
1 1 1 25 5  18 o 14.646  0.5117 15.632  149.200   -4.43  0.14   -0.67  0.24   
1 1 1 25 5  19 o 18.119  0.1860 16.841  -79.0000  0.54   -0.21  0.13   0.14   
1 1 1 25 5  20 o 2.9917  0.5305 1.3250  77.500    -0.25  0.58   0.09   0.04   
1 1 1 25 5  21 o 1.6582  0.7859 1.3565  175.200   -0.05  -0.06  -0.01  0.02   
1 1 1 25 5  22 o 7.2554  0.5481 6.4760  47.500    -1.26  0.08   -0.09  -0.05  
1 1 1 25 5  23 o 9.4083  0.2669 10.274  -151.3000 -0.27  -0.51  -0.03  0.12   
1 1 1 25 5  24 o 4.6762  2.0435 5.4551  96.100    1.27   0.88   -0.08  -0.08  
1 1 1 25 5  25 o 5.3166  0.7402 ?       ?         -0.13  0.07   0.00   -0.00  
1 1 1 25 5  26 o 6.3482  1.6039 ?       ?         0.11   0.38   0.00   0.00   
1 1 1 25 6  0  o 15.614  0.1554 31.252  -180.0000 -0.01  0.00   0.00   0.00   
1 1 1 25 6  1  o 42.356  0.1905 33.770  -69.6000  -0.67  0.28   -0.10  0.23   
1 1 1 25 6  2  o 11.815  0.1294 17.095  17.100    0.26   0.03   -0.08  -0.04  
1 1 1 25 6  3  o 10.556  0.3332 6.0945  -66.1000  -1.07  -5.01  1.66   -0.84  
1 1 1 25 6  4  o 26.493  0.1386 25.508  117.600   0.68   0.91   -0.04  -0.73  
1 1 1 25 6  5  o 17.554  0.1564 8.5884  94.100    0.73   0.13   -1.11  0.18   
1 1 1 25 6  6  o 42.888  0.2204 35.746  49.000    0.42   0.79   0.03   -0.17  
1 1 1 25 6  7  o 30.298  0.4097 34.880  -157.7000 0.45   -1.72  0.17   0.06   
1 1 1 25 6  8  o 19.555  0.2225 15.731  -73.7000  2.71   -0.51  -1.33  0.97   
1 1 1 25 6  9  f 15.615  0.4870 12.634  57.900    8.54   0.52   -2.41  -0.46  
1 1 1 25 6  10 o 47.170  0.2343 45.774  39.800    0.75   -0.05  0.18   0.47   
1 1 1 25 6  11 o 20.861  0.4869 22.813  67.100    -2.80  4.50   0.54   0.85   
1 1 1 25 6  12 o 36.405  0.3043 35.904  -111.7000 -2.07  -0.53  -0.56  -0.02  
1 1 1 25 6  13 o 5.8416  0.2392 3.7965  -171.4000 0.54   0.06   -0.17  -0.00  
1 1 1 25 6  14 o 5.9071  0.2257 1.2016  172.400   0.23   -0.06  -0.01  0.00   
1 1 1 25 6  15 o 21.712  0.1525 18.450  141.800   0.03   0.44   -0.20  -0.31  
1 1 1 25 6  16 o 19.569  0.1895 16.970  149.000   -1.12  1.07   0.29   0.41   
1 1 1 25 6  17 o 14.996  0.1686 17.421  161.000   -0.61  0.28   -0.42  -0.24  
1 1 1 25 6  18 o 2.4751  0.5999 0.8091  42.200    0.23   -0.06  -0.02  0.00   
1 1 1 25 6  19 o 16.142  0.5046 14.347  -136.1000 -1.83  -3.91  0.24   -0.62  
1 1 1 25 6  20 o 9.1198  0.2405 8.9741  113.700   -0.87  0.85   -0.26  0.22   
1 1 1 25 6  21 o 4.8078  0.5311 2.7031  -135.3000 -1.14  0.15   -0.09  0.09   
1 1 1 25 6  22 o 12.166  0.2397 14.553  45.600    -0.07  0.28   -0.03  -0.02  
1 1 1 25 6  23 o 8.7821  0.5304 9.2823  -97.9000  -0.17  -0.75  0.01   -0.03  
1 1 1 25 6  24 o 10.925  0.3187 10.677  121.300   -0.56  0.04   0.06   0.00   
1 1 1 25 6  25 f 5.8850  0.7622 ?       ?         0.54   0.30   -0.01  0.02   
1 1 1 25 6  26 o 0.0000  4.1713 ?       ?         -0.11  0.20   0.00   0.00   
1 1 1 25 7  0  o 33.422  0.2318 37.402  0.1000    0.18   0.00   0.00   0.00   
1 1 1 25 7  1  o 17.584  0.1107 15.973  -133.2000 -0.58  0.53   1.02   2.05   
1 1 1 25 7  2  o 62.293  0.4443 68.110  -77.7000  -2.46  -4.90  2.18   -1.19  
1 1 1 25 7  3  o 14.181  0.6982 14.560  -20.4000  10.71  5.54   -1.32  -1.76  
1 1 1 25 7  4  o 64.718  0.3044 64.229  -17.0000  1.21   1.18   -0.37  -0.42  
1 1 1 25 7  5  o 49.527  0.5486 40.669  15.000    6.75   -4.16  -0.56  2.53   
1 1 1 25 7  6  o 23.647  0.7074 28.477  85.300    -3.99  11.44  1.63   1.47   
1 1 1 25 7  7  o 45.082  1.1302 44.323  -137.6000 -24.05 -8.94  -4.99  -3.40  
1 1 1 25 7  8  f 13.820  0.3007 13.104  1.3000    4.17   0.99   -1.69  -1.12  
1 1 1 25 7  9  o 27.093  0.1690 28.826  149.100   0.04   -0.06  0.02   -0.02  
1 1 1 25 7  10 o 18.554  0.8305 21.548  -9.5000   11.70  3.64   -1.73  -1.37  
1 1 1 25 7  11 o 21.803  0.3794 18.134  103.700   -3.25  2.03   -0.44  0.66   
1 1 1 25 7  12 f 34.009  0.1838 33.786  104.800   0.08   0.20   0.03   0.01   
1 1 1 25 7  13 o 15.398  0.1487 13.687  172.600   -0.79  -0.14  -0.44  0.07   
1 1 1 25 7  14 o 12.061  0.1542 14.624  141.200   0.44   0.45   -0.95  -0.76  
1 1 1 25 7  15 o 28.671  0.3743 26.944  134.800   -3.53  0.69   -0.95  -0.10  
1 1 1 25 7  16 o 21.905  0.2554 19.312  48.300    2.97   0.14   -0.98  0.54   
1 1 1 25 7  17 o 8.2293  0.2244 7.4640  -168.1000 0.38   -0.09  -0.15  -0.21  
1 1 1 25 7  18 o 15.294  0.1699 15.999  155.100   -0.51  0.36   -0.18  -0.00  
1 1 1 25 7  19 o 12.236  0.2108 14.737  -15.5000  0.77   0.51   -0.29  -0.06  
1 1 1 25 7  20 o 10.949  0.2227 10.339  41.400    -0.76  -0.06  -0.10  0.17   
1 1 1 25 7  21 o 16.002  0.1755 17.905  -66.7000  0.27   -1.26  0.21   -0.28  
1 1 1 25 7  22 o 6.4529  0.3229 7.0539  -32.5000  -0.01  -0.46  0.03   0.06   
1 1 1 25 7  23 o 10.331  0.2910 12.676  -40.6000  1.12   -1.07  0.41   -0.10  
1 1 1 25 7  24 o 9.7197  0.3061 ?       ?         -0.53  -0.24  0.01   0.05   
1 1 1 25 7  25 o 7.1966  0.5881 ?       ?         0.44   0.42   -0.01  0.02   
1 1 1 25 7  26 o 5.4498  1.5752 ?       ?         -0.26  -0.19  0.00   0.00   
1 1 1 25 8  0  o 7.3824  0.1785 12.207  0.2000    0.01   0.00   0.00   0.00   
1 1 1 25 8  1  o 21.798  0.2848 22.563  146.800   -0.72  3.19   0.97   0.34   
1 1 1 25 8  2  o 21.087  1.0720 22.014  -12.5000  24.78  -17.10 -1.99  5.72   
1 1 1 25 8  3  o 15.301  0.7818 15.363  -144.0000 -21.37 -1.92  -5.62  -1.18  
1 1 1 25 8  4  o 33.168  0.2552 27.467  67.600    2.36   -0.17  -0.82  -0.11  
1 1 1 25 8  5  o 57.637  0.8922 54.802  -175.0000 -10.08 0.39   -1.68  0.47   
1 1 1 25 8  6  o 39.361  0.5493 45.839  19.100    3.32   9.16   2.18   -2.68  
1 1 1 25 8  7  o 47.094  0.3712 48.445  -67.4000  2.06   -3.24  0.10   1.20   
1 1 1 25 8  8  o 6.2008  0.1896 8.8889  108.300   -0.20  -0.42  0.13   -0.11  
1 1 1 25 8  9  o 18.919  0.1242 17.748  20.000    -0.37  0.74   0.10   0.92   
1 1 1 25 8  10 o 23.275  0.4277 26.064  -57.6000  -1.54  -3.95  0.62   -0.80  
1 1 1 25 8  11 o 42.469  0.2057 41.726  -89.9000  -1.93  -2.05  -2.16  -2.39  
1 1 1 25 8  12 o 10.256  0.1871 9.9545  -58.2000  -0.08  -0.03  -0.05  0.03   
1 1 1 25 8  13 o 11.566  0.5454 14.101  2.8000    3.32   2.43   -0.12  -0.51  
1 1 1 25 8  14 f 27.464  0.1680 22.971  29.700    0.51   -0.66  -0.29  0.30   
1 1 1 25 8  15 o 20.018  0.1555 19.256  -160.5000 -0.34  0.19   -0.08  -0.39  
1 1 1 25 8  16 o 10.841  0.2023 11.275  114.000   -0.88  0.33   -1.25  -0.50  
1 1 1 25 8  17 o 14.963  0.1736 13.139  -131.6000 -0.25  -0.39  0.16   0.15   
1 1 1 25 8  18 f 19.549  0.2326 25.288  -92.8000  1.16   -1.11  -0.32  0.23   
1 1 1 25 8  19 o 16.927  0.1814 16.018  81.100    -0.23  0.84   -0.32  0.33   
1 1 1 25 8  20 o 10.366  0.2518 10.437  -32.1000  0.61   -0.97  0.38   0.00   
1 1 1 25 8  21 o 10.779  0.4205 10.413  23.100    3.11   -0.46  -0.40  0.46   
1 1 1 25 8  22 o 4.3818  0.6391 4.7990  170.700   -0.58  -1.04  0.00   -0.12  
1 1 1 25 8  23 o 14.468  0.2360 15.156  -112.3000 1.24   -0.58  0.25   0.03   
1 1 1 25 8  24 f 6.3504  0.4838 ?       ?         0.01   -0.61  -0.06  -0.02  
1 1 1 25 8  25 o 7.0201  0.6363 ?       ?         0.37   0.25   -0.00  0.01   
1 1 1 25 8  26 o 5.9330  1.2043 ?       ?         0.08   0.28   0.00   0.00   
1 1 1 25 9  0  o 20.869  0.1640 10.183  -179.9000 0.11   0.00   0.00   0.00   
1 1 1 25 9  1  o 19.347  0.1876 16.531  -5.4000   0.15   -3.13  2.09   -0.10  
1 1 1 25 9  2  f 36.804  0.4267 36.691  34.800    4.27   4.59   0.51   -2.11  
1 1 1 25 9  3  f 29.112  0.1695 30.993  168.400   0.53   1.81   1.08   -0.31  
1 1 1 25 9  4  o 13.478  0.2243 7.8835  -150.9000 0.77   -2.52  1.04   0.54   
1 1 1 25 9  5  o 21.322  0.1389 13.132  -128.9000 0.09   -0.02  -0.03  -0.02  
1 1 1 25 9  6  o 16.783  0.2527 17.493  -138.9000 -0.00  -5.17  2.88   0.32   
1 1 1 25 9  7  o 18.855  0.1430 13.893  171.400   0.29   -0.13  -0.38  -0.09  
1 1 1 25 9  8  o 9.1948  0.6111 13.569  -77.1000  5.68   -9.26  1.20   2.61   
1 1 1 25 9  9  o 14.962  0.1240 21.382  -84.2000  -0.41  -0.35  -0.46  -0.51  
1 1 1 25 9  10 o 9.0019  0.1671 8.6122  64.900    0.20   -0.12  -0.02  0.02   
1 1 1 25 9  11 o 34.015  0.8754 33.881  144.300   -10.32 4.65   -1.36  1.15   
1 1 1 25 9  12 o 12.484  0.5426 12.782  -60.3000  -3.19  -7.13  1.17   -1.15  
1 1 1 25 9  13 o 25.544  0.5926 31.456  -116.0000 -1.90  -5.38  0.70   -0.40  
1 1 1 25 9  14 o 19.965  0.1596 17.560  -46.8000  0.23   -0.55  0.20   0.02   
1 1 1 25 9  15 o 26.743  0.2622 27.324  -133.7000 -1.67  -1.11  -0.42  -0.29  
1 1 1 25 9  16 o 19.431  0.1550 18.625  -94.4000  0.17   -0.52  -0.51  -0.43  
1 1 1 25 9  17 o 12.874  0.1795 13.132  -179.8000 -0.01  0.18   0.01   -0.02  
1 1 1 25 9  18 o 7.4192  0.3101 6.9836  39.400    1.34   0.21   -0.25  0.01   
1 1 1 25 9  19 o 8.1399  0.2426 6.7360  -72.3000  -0.50  -0.09  0.05   0.56   
1 1 1 25 9  20 o 8.1325  0.2630 7.8637  0.4000    0.79   0.23   0.48   -0.44  
1 1 1 25 9  21 o 5.7561  0.3682 3.9642  -73.4000  0.52   0.65   0.28   -0.05  
1 1 1 25 9  22 o 5.6933  0.3894 4.3139  161.500   0.23   -0.69  -0.02  0.11   
1 1 1 25 9  23 o 4.7948  0.5424 4.8680  176.000   -0.02  0.13   -0.00  -0.00  
1 1 1 25 9  24 f 5.3365  0.4925 ?       ?         0.19   -0.26  0.01   -0.02  
1 1 1 25 9  25 o 10.511  0.4884 ?       ?         1.29   -1.89  0.05   -0.20  
1 1 1 25 9  26 o 3.0188  1.5453 ?       ?         0.25   -0.25  0.01   -0.01  
1 1 1 25 10 0  o 59.285  0.3588 54.385  -0.1000   0.33   0.00   0.00   0.00   
1 1 1 25 10 1  o 16.994  0.6003 17.241  -35.5000  6.91   -8.92  0.77   2.56   
1 1 1 25 10 2  o 52.636  0.2363 55.402  136.400   0.44   0.63   -1.07  -0.20  
1 1 1 25 10 3  o 50.671  0.2487 58.747  -40.7000  0.36   0.26   0.19   -0.08  
1 1 1 25 10 4  o 44.701  0.2643 35.711  -116.4000 3.48   -4.13  -0.93  4.13   
1 1 1 25 10 5  o 36.278  0.3074 35.484  -176.4000 -2.71  -0.74  -0.74  -0.20  
1 1 1 25 10 6  o 44.151  0.5313 44.398  5.5000    4.86   0.30   -0.91  -0.34  
1 1 1 25 10 7  o 20.597  0.1269 15.928  117.900   -0.22  -0.08  -0.20  0.10   
1 1 1 25 10 8  o 30.517  0.3210 24.588  -88.4000  1.90   -1.22  -0.27  0.34   
1 1 1 25 10 9  f 39.268  0.4060 28.704  -31.1000  -0.30  -4.18  1.28   0.29   
1 1 1 25 10 10 o 35.161  0.4282 31.524  43.400    -0.08  3.65   0.61   -0.10  
1 1 1 25 10 11 o 31.946  0.2611 31.397  -114.5000 -0.56  1.09   0.03   0.23   
1 1 1 25 10 12 o 24.784  0.2060 23.759  56.100    0.82   -0.01  -0.12  0.04   
1 1 1 25 10 13 o 9.2384  0.2226 3.0853  -70.3000  0.90   -1.30  0.08   0.53   
1 1 1 25 10 14 o 13.797  0.1617 12.577  116.800   -1.54  -0.03  -0.98  -0.50  
1 1 1 25 10 15 o 1.9160  0.8969 4.4378  -83.0000  0.06   -0.19  0.02   0.01   
1 1 1 25 10 16 o 15.456  0.1515 14.443  40.200    1.48   -0.03  -0.77  0.84   
1 1 1 25 10 17 o 21.962  0.2130 22.037  5.9000    1.46   -1.71  0.85   0.31   
1 1 1 25 10 18 o 20.531  0.1705 18.892  -76.3000  0.70   -0.14  -0.04  -0.23  
1 1 1 25 10 19 o 6.3014  0.2920 6.4485  -96.3000  0.15   -0.26  -0.00  0.03   
1 1 1 25 10 20 o 3.1382  0.5173 3.4632  47.500    -0.08  0.05   0.02   -0.02  
1 1 1 25 10 21 o 13.535  0.1926 14.957  -160.7000 -0.83  0.01   0.27   0.03   
1 1 1 25 10 22 o 7.8771  0.2918 7.9751  -7.4000   0.66   0.06   0.26   0.05   
1 1 1 25 10 23 o 7.7574  0.3603 8.3128  93.300    0.00   0.66   -0.04  -0.09  
1 1 1 25 10 24 o 10.743  0.3207 ?       ?         -0.09  -1.12  -0.10  -0.07  
1 1 1 25 10 25 o 8.3303  0.6601 ?       ?         0.52   -0.64  -0.02  -0.02  
1 1 1 25 10 26 o 8.4499  1.4591 ?       ?         -0.07  0.12   0.00   0.00   
1 1 1 25 11 0  o 41.356  0.2715 34.320  179.900   -0.11  0.00   0.00   0.00   
1 1 1 25 11 1  o 45.534  0.2475 44.098  -81.1000  0.18   -0.42  0.03   0.02   
1 1 1 25 11 2  o 17.430  0.1154 22.587  -134.2000 0.15   0.83   2.01   0.40   
1 1 1 25 11 3  o 10.742  0.2805 10.243  128.300   -1.54  -2.92  0.54   -0.92  
1 1 1 25 11 4  o 35.477  0.4690 19.546  -83.8000  8.77   -3.92  -2.25  3.63   
1 1 1 25 11 5  o 34.821  0.6961 38.633  -89.6000  -11.33 -8.94  -1.25  -3.50  
1 1 1 25 11 6  o 37.823  0.4325 50.226  -63.7000  0.71   -5.04  1.28   0.72   
1 1 1 25 11 7  o 27.163  0.2584 26.255  -79.6000  -4.38  -0.86  -2.39  -2.01  
1 1 1 25 11 8  o 22.095  0.8073 19.391  -22.4000  18.36  1.20   -4.08  -0.80  
1 1 1 25 11 9  o 6.4408  0.6993 0.3886  -106.2000 3.34   5.85   0.50   -0.91  
1 1 1 25 11 10 o 12.262  0.1785 7.3529  -26.5000  0.08   -0.10  -0.30  0.04   
1 1 1 25 11 11 o 9.2121  0.1800 7.5913  126.200   -0.37  -0.26  -0.06  -0.08  
1 1 1 25 11 12 o 41.680  0.9304 40.333  -100.2000 -0.52  -15.30 2.96   0.32   
1 1 1 25 11 13 f 24.502  0.2023 23.911  -58.4000  -1.99  0.56   -0.90  0.02   
1 1 1 25 11 14 o 18.717  0.1475 19.019  148.900   -0.75  0.30   -1.27  -1.88  
1 1 1 25 11 15 o 17.468  0.4199 13.154  -90.2000  -1.33  -0.87  -0.09  -0.11  
1 1 1 25 11 16 o 8.2482  0.2180 10.172  -18.5000  0.56   -0.27  0.32   0.62   
1 1 1 25 11 17 o 6.3886  0.2885 5.9759  -28.7000  -0.15  -0.51  0.04   -0.19  
1 1 1 25 11 18 o 16.094  0.1899 13.425  93.400    -2.00  -0.62  -0.94  0.32   
1 1 1 25 11 19 o 15.372  0.4496 13.041  -84.6000  0.59   1.25   0.02   -0.09  
1 1 1 25 11 20 f 6.8436  0.2879 6.5034  84.400    -0.29  0.94   0.05   0.19   
1 1 1 25 11 21 o 5.4154  0.4353 5.6840  162.100   -0.76  -0.13  -0.07  0.03   
1 1 1 25 11 22 o 11.030  0.2268 9.5846  85.500    0.07   1.17   0.06   0.24   
1 1 1 25 11 23 o 3.0517  0.7112 3.0556  21.100    0.00   -0.02  -0.00  0.00   
1 1 1 25 11 24 o 2.7091  0.8447 ?       ?         0.17   -0.26  -0.02  -0.03  
1 1 1 25 11 25 o 2.7461  1.2873 ?       ?         0.23   -0.25  -0.02  -0.01  
1 1 1 25 11 26 o 11.072  1.2613 ?       ?         -2.18  0.36   0.00   0.00   
1 1 1 25 12 0  o 8.1486  0.1683 10.138  0.1000    -0.03  0.00   0.00   0.00   
1 1 1 25 12 1  o 23.841  0.6302 37.636  -159.3000 -10.38 3.15   -1.65  1.25   
1 1 1 25 12 2  o 39.034  0.1869 33.551  -33.0000  -0.28  -0.53  -1.50  0.07   
1 1 1 25 12 3  o 44.904  0.7501 43.493  -164.0000 -3.40  -13.66 3.37   -1.23  
1 1 1 25 12 4  o 9.9738  0.4030 25.214  -67.4000  0.10   -2.91  0.37   0.04   
1 1 1 25 12 5  o 22.327  0.1468 17.017  -45.3000  -0.10  0.11   0.01   0.02   
1 1 1 25 12 6  o 40.911  0.2006 46.107  -117.6000 1.03   -0.13  -0.38  -0.28  
1 1 1 25 12 7  o 42.817  0.4073 46.879  45.600    1.32   4.05   1.33   -0.35  
1 1 1 25 12 8  o 13.561  0.1576 20.025  42.500    0.25   0.25   0.01   -0.04  
1 1 1 25 12 9  o 23.082  0.5982 19.479  149.800   -7.25  0.40   -1.45  -0.01  
1 1 1 25 12 10 o 10.750  0.1487 9.5592  73.900    -0.24  -0.31  -0.03  -0.26  
1 1 1 25 12 11 o 22.548  0.3665 26.699  -7.0000   3.85   0.77   -1.08  -0.20  
1 1 1 25 12 12 o 17.384  0.1528 14.171  -112.9000 0.95   -0.83  0.24   0.69   
1 1 1 25 12 13 o 8.9415  0.1825 7.2321  168.900   -0.18  0.30   0.28   0.13   
1 1 1 25 12 14 o 42.216  0.2156 43.139  20.900    3.10   1.07   -1.53  0.96   
1 1 1 25 12 15 o 20.659  0.1736 22.073  -69.3000  0.53   -0.59  0.38   -1.31  
1 1 1 25 12 16 o 14.875  0.1629 10.918  -18.4000  -0.05  -0.38  0.00   0.24   
1 1 1 25 12 17 o 11.596  0.1865 14.002  -12.9000  0.42   -0.66  0.16   0.08   
1 1 1 25 12 18 o 6.1243  0.3070 5.3585  -93.0000  -0.45  -0.31  0.08   -0.18  
1 1 1 25 12 19 o 7.3222  0.2965 4.1858  -75.9000  -0.11  -0.83  0.19   0.53   
1 1 1 25 12 20 o 10.891  0.2431 8.7920  -60.0000  -0.42  -0.42  0.05   -0.03  
1 1 1 25 12 21 o 13.254  0.2029 13.554  16.100    1.38   0.76   0.76   0.51   
1 1 1 25 12 22 o 12.068  0.2165 11.621  123.600   0.35   -0.23  -0.01  -0.05  
1 1 1 25 12 23 f 7.9595  0.4731 6.9942  -54.2000  -0.51  -0.30  -0.02  -0.00  
1 1 1 25 12 24 o 4.4946  0.9830 ?       ?         0.24   0.50   -0.01  -0.02  
1 1 1 25 12 25 o 4.4983  1.5866 ?       ?         -0.28  -0.27  -0.01  0.00   
1 1 1 25 12 26 o 0.0000  3.4669 ?       ?         -0.22  -0.69  -0.04  0.04   
1 1 1 25 13 0  o 9.9900  0.1285 4.1696  -0.4000   -0.08  0.00   0.00   0.00   
1 1 1 25 13 1  o 38.225  0.7953 41.841  111.500   2.49   17.97  4.34   -1.71  
1 1 1 25 13 2  o 46.015  0.3041 50.527  87.500    -2.45  4.28   0.43   2.74   
1 1 1 25 13 3  o 38.264  0.5253 26.433  -159.1000 -4.15  -17.36 10.17  -3.10  
1 1 1 25 13 4  o 10.427  0.1336 12.181  48.600    2.88   -0.37  -5.88  0.39   
1 1 1 25 13 5  o 5.7425  0.1719 7.7392  -147.2000 -0.38  -0.02  -0.97  0.27   
1 1 1 25 13 6  f 44.178  0.2191 37.674  145.200   -0.40  0.33   -0.10  0.05   
1 1 1 25 13 7  o 23.855  0.1493 23.771  -78.1000  0.73   0.32   -0.10  -0.39  
1 1 1 25 13 8  o 33.095  0.4568 34.839  52.100    6.14   -2.89  -1.06  2.34   
1 1 1 25 13 9  o 15.047  0.1609 8.6629  170.400   -0.18  0.03   0.13   0.40   
1 1 1 25 13 10 o 33.738  0.1894 24.194  -136.6000 -0.03  -1.55  0.71   1.79   
1 1 1 25 13 11 o 8.8993  0.3609 5.3921  -24.1000  -0.95  -2.62  0.36   -0.36  
1 1 1 25 13 12 o 19.946  0.2688 20.361  -20.9000  0.03   -2.05  0.46   -0.11  
1 1 1 25 13 13 o 23.550  0.1718 23.258  -39.1000  -0.16  0.48   0.02   0.10   
1 1 1 25 13 14 o 28.571  0.2310 25.960  154.300   -3.14  -0.26  -1.01  -1.25  
1 1 1 25 13 15 o 6.8751  0.2335 2.5318  -107.1000 -0.07  -0.18  0.15   0.07   
1 1 1 25 13 16 f 11.779  0.1791 10.706  -137.6000 -1.40  -0.62  -1.67  0.13   
1 1 1 25 13 17 o 6.9640  0.2937 6.5872  -131.8000 0.49   0.88   0.13   -0.10  
1 1 1 25 13 18 o 23.023  0.1726 22.021  -3.1000   1.55   -0.77  -0.69  -1.16  
1 1 1 25 13 19 o 7.1927  0.5932 7.9709  -17.4000  0.90   -3.18  0.60   0.12   
1 1 1 25 13 20 o 15.429  0.3720 15.087  -129.7000 0.73   -2.76  0.14   0.56   
1 1 1 25 13 21 f 7.9841  0.2775 7.8823  -58.4000  -0.21  -0.15  0.02   0.05   
1 1 1 25 13 22 o 7.0229  0.3256 6.3481  -146.4000 -0.73  0.89   -0.18  0.12   
1 1 1 25 13 23 o 11.357  0.6303 10.594  110.400   2.59   1.88   -0.26  -0.15  
1 1 1 25 13 24 o 14.995  0.3003 ?       ?         -1.26  1.12   0.03   -0.20  
1 1 1 25 13 25 f 7.1966  0.8407 ?       ?         -0.25  0.53   0.00   -0.01  
1 1 1 25 13 26 o 5.2302  1.0090 ?       ?         0.22   0.40   0.00   0.00   
1 1 1 25 14 0  o 4.4833  0.2025 11.957  179.900   -0.05  0.00   0.00   0.00   
1 1 1 25 14 1  o 45.392  0.2099 37.994  61.600    1.22   0.25   -0.83  0.41   
1 1 1 25 14 2  o 25.858  1.2523 21.951  172.000   -54.03 1.00   -12.99 0.98   
1 1 1 25 14 3  o 9.2164  0.5121 6.4917  114.600   -9.12  -0.95  -2.16  -0.38  
1 1 1 25 14 4  f 46.471  0.5088 46.138  150.300   -3.69  4.52   -0.09  1.44   
1 1 1 25 14 5  o 12.087  0.3384 11.351  -130.2000 2.97   -0.94  -0.61  0.35   
1 1 1 25 14 6  f 40.439  0.2552 42.656  87.800    0.57   1.37   0.10   -0.36  
1 1 1 25 14 7  f 9.1628  0.1494 11.837  -163.1000 -0.53  -1.08  0.68   -1.65  
1 1 1 25 14 8  o 48.980  0.2493 50.510  100.600   -0.59  0.77   -0.71  -0.71  
1 1 1 25 14 9  o 6.9988  0.3572 1.3506  118.300   -0.87  -1.80  0.15   -0.21  
1 1 1 25 14 10 o 23.046  0.5058 20.089  -83.9000  7.33   -5.25  -0.50  3.04   
1 1 1 25 14 11 o 10.423  0.1875 12.890  93.700    -0.68  -0.26  -0.31  -1.01  
1 1 1 25 14 12 o 34.027  0.1807 36.411  -84.5000  -0.23  -0.58  -0.32  -0.26  
1 1 1 25 14 13 o 11.182  0.3354 11.104  88.700    -2.26  -1.03  -0.21  -0.32  
1 1 1 25 14 14 o 4.8035  0.2937 6.9704  -154.2000 -1.17  -0.49  -0.65  -0.36  
1 1 1 25 14 15 o 18.816  0.1506 17.067  160.700   0.00   0.38   0.02   -0.14  
1 1 1 25 14 16 o 16.900  0.4038 15.885  -150.0000 -2.44  0.80   -0.18  0.33   
1 1 1 25 14 17 f 17.058  0.1608 15.516  18.900    0.96   0.84   0.43   -0.31  
1 1 1 25 14 18 o 19.974  0.2339 20.811  -170.9000 -1.15  -2.53  0.98   -0.07  
1 1 1 25 14 19 o 7.0905  0.2770 6.7118  -130.5000 -0.21  -0.70  -0.10  -0.35  
1 1 1 25 14 20 o 5.4217  0.3543 3.2778  95.500    0.42   0.52   0.06   -0.05  
1 1 1 25 14 21 f 14.083  0.3228 13.896  -130.0000 -2.11  0.29   -0.11  0.35   
1 1 1 25 14 22 o 9.6770  0.2788 10.352  -129.8000 0.04   -0.40  -0.00  0.02   
1 1 1 25 14 23 o 9.4175  0.3407 10.980  14.500    0.33   0.24   0.02   0.02   
1 1 1 25 14 24 o 9.5051  0.3812 ?       ?         -0.60  1.11   -0.14  0.01   
1 1 1 25 14 25 o 4.1979  2.0427 ?       ?         -0.29  0.10   -0.00  -0.01  
1 1 1 25 14 26 o 4.2697  1.4414 ?       ?         -0.38  -0.48  -0.01  0.01   
1 1 1 25 15 0  o 8.8034  0.1672 2.3716  -179.1000 -0.05  0.00   0.00   0.00   
1 1 1 25 15 1  o 7.8917  0.3692 5.4077  -121.5000 -2.62  -3.92  0.46   -1.01  
1 1 1 25 15 2  o 19.126  0.1365 25.975  -166.8000 -0.53  -1.38  4.81   -0.47  
1 1 1 25 15 3  o 39.904  0.2069 38.886  -85.9000  -0.32  0.05   0.08   0.20   
1 1 1 25 15 4  o 40.326  0.1931 40.931  -152.0000 -0.82  0.14   -0.08  0.43   
1 1 1 25 15 5  o 29.798  0.1562 24.652  78.900    0.12   0.88   0.38   0.15   
1 1 1 25 15 6  o 41.760  0.8965 41.092  61.700    -10.70 17.04  1.58   5.06   
1 1 1 25 15 7  o 25.445  0.4462 30.977  -162.6000 -7.45  0.53   -2.32  0.69   
1 1 1 25 15 8  o 31.167  0.1685 33.829  119.900   0.10   0.29   -0.33  0.10   
1 1 1 25 15 9  o 13.292  0.1607 11.558  145.200   -0.10  0.54   0.07   0.04   
1 1 1 25 15 10 o 6.6238  0.1958 5.4553  119.300   -0.68  1.40   0.53   0.50   
1 1 1 25 15 11 o 18.637  0.1429 19.040  -59.8000  0.92   -0.24  -0.69  -0.01  
1 1 1 25 15 12 o 17.107  0.1688 11.604  37.400    2.31   2.28   0.97   -2.51  
1 1 1 25 15 13 o 26.597  0.3790 28.499  -55.4000  1.07   -1.41  -0.00  0.15   
1 1 1 25 15 14 o 19.771  0.2912 17.253  -89.8000  2.32   -2.77  -0.26  1.18   
1 1 1 25 15 15 o 3.7867  0.5578 3.6336  22.500    -1.54  0.23   -0.21  0.03   
1 1 1 25 15 16 o 5.2113  0.3259 3.2281  101.000   -0.40  0.42   0.02   0.06   
1 1 1 25 15 17 o 14.306  0.1729 13.872  115.100   0.24   0.36   -0.07  -0.06  
1 1 1 25 15 18 o 15.820  0.3491 14.432  -74.0000  1.91   -1.26  0.07   0.39   
1 1 1 25 15 19 o 6.2269  0.3227 4.7213  -138.5000 -0.32  -0.10  -0.05  0.04   
1 1 1 25 15 20 o 6.4263  0.3293 5.9257  -71.6000  -0.52  -0.80  0.16   -0.06  
1 1 1 25 15 21 o 13.459  0.2152 12.335  101.600   0.03   0.89   -0.13  0.18   
1 1 1 25 15 22 o 9.4048  0.3057 9.1999  1.1000    -0.12  -0.37  0.01   0.02   
1 1 1 25 15 23 o 6.8679  0.3736 7.1801  24.600    -0.05  0.24   -0.00  -0.02  
1 1 1 25 15 24 f 9.1546  0.3956 ?       ?         -1.00  -0.04  0.04   0.04   
1 1 1 25 15 25 o 7.2492  0.7396 ?       ?         -0.34  0.51   -0.01  -0.01  
1 1 1 25 15 26 o 4.3968  1.7169 ?       ?         -0.07  0.26   -0.00  -0.00  
1 1 1 25 16 0  o 38.490  0.3221 55.700  -180.0000 -0.39  0.00   0.00   0.00   
1 1 1 25 16 1  o 51.577  0.2660 54.167  -163.3000 -1.13  0.32   0.21   0.76   
1 1 1 25 16 2  o 15.106  0.3708 9.3663  123.600   -3.47  3.50   -0.07  1.12   
1 1 1 25 16 3  o 11.522  0.1424 4.4125  105.300   2.10   -1.13  -0.87  2.17   
1 1 1 25 16 4  o 5.9818  0.1463 6.4183  101.800   0.21   0.14   -0.02  -0.14  
1 1 1 25 16 5  o 38.672  0.2080 30.636  -104.5000 0.21   0.71   0.20   0.05   
1 1 1 25 16 6  o 27.667  0.1612 21.380  107.500   0.02   0.94   -1.97  -3.83  
1 1 1 25 16 7  o 30.167  0.1722 27.048  -131.3000 -0.52  -1.08  0.98   -0.03  
1 1 1 25 16 8  o 18.672  0.4027 14.293  123.800   -9.51  -0.83  -3.94  -1.14  
1 1 1 25 16 9  o 23.442  0.8609 17.683  -72.2000  4.34   -11.97 1.65   1.13   
1 1 1 25 16 10 o 24.062  0.1422 24.831  -49.1000  -0.00  -0.46  -0.10  -0.76  
1 1 1 25 16 11 o 25.421  0.3988 24.876  -11.3000  5.46   1.07   -1.30  -0.94  
1 1 1 25 16 12 o 13.047  0.5922 11.975  -171.1000 -10.17 1.74   -1.91  0.85   
1 1 1 25 16 13 o 12.877  0.1662 14.759  -110.1000 -0.08  0.07   0.04   0.02   
1 1 1 25 16 14 o 9.0390  0.2917 7.0267  -160.8000 -1.89  -0.60  -0.44  -0.18  
1 1 1 25 16 15 o 22.577  0.1536 21.842  115.400   0.55   1.37   -0.58  -0.81  
1 1 1 25 16 16 f 18.220  0.1630 16.237  -73.9000  1.14   -0.77  -0.65  -0.09  
1 1 1 25 16 17 o 13.079  0.3443 12.963  -127.8000 0.94   -0.96  -0.05  0.12   
1 1 1 25 16 18 o 13.014  0.2065 12.576  -99.5000  -0.47  -0.22  0.03   -0.08  
1 1 1 25 16 19 o 8.5858  0.2483 8.4973  -12.6000  0.32   0.21   -0.09  0.10   
1 1 1 25 16 20 o 6.5594  0.3082 6.7140  -27.1000  -0.17  0.04   -0.00  0.01   
1 1 1 25 16 21 o 15.876  0.1860 15.964  -170.4000 -1.08  0.34   0.16   -0.20  
1 1 1 25 16 22 o 3.7582  0.6209 2.3499  -96.5000  0.20   -0.03  -0.01  -0.00  
1 1 1 25 16 23 o 7.9530  0.5130 8.8174  -38.9000  2.66   1.22   0.21   -0.51  
1 1 1 25 16 24 o 6.8765  0.4992 ?       ?         -0.28  0.36   0.01   -0.01  
1 1 1 25 16 25 o 5.3914  0.7432 ?       ?         0.56   -0.16  0.02   -0.00  
1 1 1 25 16 26 o 5.3904  1.2289 ?       ?         0.31   0.19   0.00   0.00   
1 1 1 25 17 0  f 11.781  0.1715 10.413  179.800   0.01   0.00   0.00   0.00   
1 1 1 25 17 1  o 28.647  0.3529 20.067  112.000   -2.29  3.65   0.30   1.51   
1 1 1 25 17 2  o 23.083  0.2789 29.880  100.200   0.21   1.99   0.43   -0.21  
1 1 1 25 17 3  o 37.770  1.0060 45.355  -133.6000 -12.86 -16.22 0.49   -4.60  
1 1 1 25 17 4  o 24.086  0.1748 17.856  132.200   -0.91  -0.25  -0.25  -0.04  
1 1 1 25 17 5  o 37.602  0.1860 25.446  -177.1000 -1.08  1.06   -0.41  0.55   
1 1 1 25 17 6  o 36.323  0.2702 27.312  -159.8000 -1.45  0.82   -0.06  0.34   
1 1 1 25 17 7  o 40.936  0.2478 32.523  97.600    0.75   0.58   -0.13  -0.10  
1 1 1 25 17 8  o 12.791  0.2056 15.549  53.800    0.04   1.00   0.15   -0.03  
1 1 1 25 17 9  o 9.2449  0.1978 13.788  -44.2000  0.52   -0.02  -0.06  0.02   
1 1 1 25 17 10 f 8.3372  0.1776 3.9105  152.900   0.09   0.17   0.05   -0.03  
1 1 1 25 17 11 o 13.847  0.1487 13.441  -49.6000  -0.13  -0.01  0.08   -0.14  
1 1 1 25 17 12 o 10.749  0.1502 14.365  42.900    -0.04  -0.26  0.04   -0.03  
1 1 1 25 17 13 f 9.0591  0.1810 1.3500  35.200    1.23   -0.71  -0.72  0.54   
1 1 1 25 17 14 o 14.393  0.1480 14.314  8.8000    0.63   1.20   2.28   0.26   
1 1 1 25 17 15 f 10.084  0.1835 9.1327  158.400   -0.08  0.07   0.01   0.01   
1 1 1 25 17 16 o 20.937  0.3082 18.852  148.900   -1.62  0.66   -0.23  0.03   
1 1 1 25 17 17 o 12.392  0.2559 13.704  135.000   -1.39  -1.30  0.27   -0.44  
1 1 1 25 17 18 o 16.429  0.1690 18.122  -153.6000 -1.05  -0.04  1.01   0.26   
1 1 1 25 17 19 o 8.9670  0.2451 7.8472  -168.5000 -0.25  0.10   0.01   0.02   
1 1 1 25 17 20 o 3.0785  0.5726 3.1367  -95.6000  0.02   -0.23  0.01   -0.01  
1 1 1 25 17 21 o 9.5493  0.2650 9.1961  -27.9000  0.35   0.15   0.03   -0.02  
1 1 1 25 17 22 o 10.169  0.3004 12.614  168.900   -1.65  1.32   0.48   0.14   
1 1 1 25 17 23 o 4.6322  0.5270 ?       ?         0.77   -0.33  0.04   0.06   
1 1 1 25 17 24 f 3.4065  1.5864 ?       ?         -0.06  -0.25  -0.00  -0.01  
1 1 1 25 17 25 o 6.2679  0.8200 ?       ?         0.29   -0.19  0.00   -0.00  
1 1 1 25 17 26 o 5.1552  2.2578 ?       ?         0.46   0.14   0.01   -0.00  
1 1 1 25 18 0  o 31.766  0.2483 33.668  0.1000    0.10   0.00   0.00   0.00   
1 1 1 25 18 1  o 44.663  0.4871 42.796  -78.5000  1.03   -1.29  0.09   0.13   
1 1 1 25 18 2  o 12.117  0.2609 7.6794  60.300    -1.62  0.74   -0.33  0.29   
1 1 1 25 18 3  o 42.406  0.9112 36.656  38.600    9.51   -2.52  -1.09  0.90   
1 1 1 25 18 4  o 37.139  0.4395 35.494  -44.9000  7.92   0.28   -2.79  -0.89  
1 1 1 25 18 5  o 29.285  0.6492 27.153  -46.5000  2.03   -5.21  0.48   0.35   
1 1 1 25 18 6  o 11.305  0.3351 18.774  25.600    3.63   1.09   -0.95  -0.50  
1 1 1 25 18 7  o 17.730  0.1474 17.491  -139.3000 -2.01  2.27   0.96   2.47   
1 1 1 25 18 8  o 17.030  0.1469 10.907  110.200   -0.64  0.40   -0.03  0.35   
1 1 1 25 18 9  o 17.751  0.1684 7.0009  57.500    -0.70  0.41   1.24   1.44   
1 1 1 25 18 10 o 8.7877  0.1651 11.555  -128.2000 -0.03  0.06   0.01   0.00   
1 1 1 25 18 11 o 9.5129  0.1745 3.6825  133.900   -1.87  -1.61  -0.59  -1.46  
1 1 1 25 18 12 f 17.359  0.1502 16.313  -43.8000  0.22   0.01   -0.03  0.11   
1 1 1 25 18 13 o 11.112  0.1610 11.619  -14.7000  -0.02  -0.04  0.00   -0.00  
1 1 1 25 18 14 o 12.536  0.3192 17.340  -96.8000  -2.77  -0.71  -0.56  -0.14  
1 1 1 25 18 15 o 4.7374  0.3207 4.5464  16.900    0.18   0.32   0.01   -0.05  
1 1 1 25 18 16 o 7.7133  0.2406 7.0708  31.300    0.50   0.02   -0.10  0.37   
1 1 1 25 18 17 o 20.629  0.1764 18.670  -39.0000  1.03   -0.24  0.60   0.25   
1 1 1 25 18 18 o 24.512  0.1780 22.594  -107.6000 0.43   -1.97  -0.91  -0.05  
1 1 1 25 18 19 o 4.5901  0.3997 5.5907  -43.5000  0.01   -0.23  0.01   -0.03  
1 1 1 25 18 20 o 15.566  0.1989 17.057  -170.4000 -1.50  -0.05  0.09   -0.33  
1 1 1 25 18 21 o 11.603  0.2320 12.877  50.700    -0.97  0.45   -0.12  -0.19  
1 1 1 25 18 22 o 9.8538  0.3163 8.8493  4.1000    0.60   0.25   0.06   -0.02  
1 1 1 25 18 23 o 2.6544  0.8276 ?       ?         -0.09  0.05   -0.00  -0.00  
1 1 1 25 18 24 o 8.8395  0.4699 ?       ?         -0.31  -1.02  -0.05  0.03   
1 1 1 25 18 25 o 4.5114  0.8647 ?       ?         0.51   -0.21  0.00   -0.02  
1 1 1 25 18 26 o 9.3943  0.8737 ?       ?         -0.78  0.49   0.00   -0.00  
1 1 1 25 19 0  o 22.667  0.1990 23.924  -179.9000 -0.08  0.00   0.00   0.00   
1 1 1 25 19 1  o 20.413  0.8121 16.376  116.400   -17.93 -10.38 -3.45  -5.08  
1 1 1 25 19 2  o 31.520  0.3038 29.887  -162.7000 -1.34  -3.44  1.24   -0.58  
1 1 1 25 19 3  o 40.675  0.9930 37.861  -124.4000 -14.99 8.01   -2.35  2.55   
1 1 1 25 19 4  o 25.201  0.6101 29.431  88.200    -6.80  13.93  2.48   3.89   
1 1 1 25 19 5  o 51.569  0.2369 59.923  -4.6000   -0.20  -0.93  -0.42  -0.41  
1 1 1 25 19 6  o 20.322  0.6227 19.883  -119.6000 -8.26  -7.31  -0.59  -2.66  
1 1 1 25 19 7  o 15.387  0.2306 18.278  106.700   -0.32  2.49   0.65   0.27   
1 1 1 25 19 8  o 15.609  0.3705 17.632  109.800   -2.41  2.87   0.26   0.79   
1 1 1 25 19 9  o 18.435  0.3966 17.785  15.300    5.89   0.47   -1.76  -0.02  
1 1 1 25 19 10 o 22.654  0.1479 20.338  -147.1000 -0.53  0.29   -0.52  -0.11  
1 1 1 25 19 11 o 13.692  0.1526 13.936  51.800    -0.47  -0.03  0.45   1.47   
1 1 1 25 19 12 f 17.994  0.2004 14.899  -41.6000  -0.53  -5.39  4.47   0.63   
1 1 1 25 19 13 o 15.789  0.1622 19.212  -140.5000 0.26   -0.13  -0.02  0.01   
1 1 1 25 19 14 o 13.229  0.2979 11.812  42.900    3.53   1.23   -1.05  -0.41  
1 1 1 25 19 15 f 14.107  0.1582 16.118  27.800    -0.25  0.23   -0.10  -0.02  
1 1 1 25 19 16 o 2.9060  0.4706 3.9564  155.600   0.06   0.13   0.04   0.08   
1 1 1 25 19 17 o 10.177  0.2134 7.6230  -108.7000 0.12   -0.27  -0.01  0.04   
1 1 1 25 19 18 o 8.6317  0.5653 8.5312  -127.8000 -0.88  0.65   0.00   0.05   
1 1 1 25 19 19 o 17.603  0.2637 17.324  60.300    1.03   -0.17  -0.06  -0.09  
1 1 1 25 19 20 o 8.2939  0.2702 8.4547  -47.9000  0.44   -0.34  0.14   -0.06  
1 1 1 25 19 21 o 8.9712  0.2973 8.2677  68.000    0.07   0.05   -0.00  0.00   
1 1 1 25 19 22 f 11.751  0.2742 10.406  -17.0000  0.49   0.42   -0.03  0.06   
1 1 1 25 19 23 o 4.4385  0.7033 ?       ?         -0.08  -0.25  -0.01  -0.00  
1 1 1 25 19 24 o 8.6092  0.7168 ?       ?         1.03   -0.52  -0.03  -0.03  
1 1 1 25 19 25 o 6.9387  0.6705 ?       ?         -0.54  -0.68  0.00   0.02   
1 1 1 25 19 26 o 5.0341  1.1450 ?       ?         -0.58  -0.57  0.01   0.01   
1 1 1 25 20 0  o 3.2863  0.5857 0.0960  -20.7000  0.00   0.00   0.00   0.00   
1 1 1 25 20 1  o 38.543  0.4450 35.751  -119.9000 -3.40  0.72   -0.61  0.69   
1 1 1 25 20 2  o 17.331  0.1258 17.233  171.700   -1.15  0.50   -0.78  0.40   
1 1 1 25 20 3  o 23.593  0.8575 16.827  -135.9000 -5.33  8.53   0.56   0.96   
1 1 1 25 20 4  o 36.554  0.3356 30.136  -136.4000 -4.75  1.67   -1.10  2.02   
1 1 1 25 20 5  o 25.117  0.2486 17.288  105.000   -3.37  0.96   -1.72  0.42   
1 1 1 25 20 6  o 25.108  0.1384 29.188  -3.9000   0.84   0.79   0.16   -0.44  
1 1 1 25 20 7  o 25.625  0.5906 31.182  -153.8000 -4.51  -6.32  0.70   -1.32  
1 1 1 25 20 8  o 12.141  0.1504 9.7776  72.700    -0.39  -0.64  -0.04  -0.75  
1 1 1 25 20 9  o 6.5693  0.1898 6.3959  -146.3000 1.17   -1.57  0.20   1.79   
1 1 1 25 20 10 o 33.262  0.1894 35.609  179.100   -0.71  0.49   0.33   0.26   
1 1 1 25 20 11 o 21.399  0.1515 21.962  -77.3000  0.85   -2.78  2.36   0.08   
1 1 1 25 20 12 o 11.201  0.1886 5.7995  -135.2000 -1.80  -0.20  -1.00  -0.89  
1 1 1 25 20 13 o 12.773  0.1674 11.511  34.200    0.28   -0.10  -0.01  0.05   
1 1 1 25 20 14 f 22.918  0.1651 22.868  -121.6000 -0.24  -0.22  -0.01  0.09   
1 1 1 25 20 15 o 14.728  0.1763 14.767  -112.6000 0.79   -0.14  0.25   -0.61  
1 1 1 25 20 16 o 12.278  0.1767 11.021  123.700   -1.06  0.36   -0.50  -0.24  
1 1 1 25 20 17 o 6.9958  0.2676 6.0616  93.600    0.35   0.99   0.20   -0.03  
1 1 1 25 20 18 o 3.9070  0.4187 3.6955  -75.0000  -0.51  -0.15  -0.06  0.00   
1 1 1 25 20 19 o 5.3297  0.3533 4.7766  50.600    0.39   0.93   -0.02  -0.24  
1 1 1 25 20 20 o 9.0242  0.2946 8.5479  86.200    0.38   0.10   -0.02  0.01   
1 1 1 25 20 21 o 4.8269  0.4952 4.7474  128.300   0.42   0.18   0.06   0.07   
1 1 1 25 20 22 o 5.1533  0.8857 3.6427  -173.5000 -0.05  -0.48  0.01   -0.01  
1 1 1 25 20 23 o 6.0745  0.5847 ?       ?         -0.09  0.12   0.00   -0.00  
1 1 1 25 20 24 o 4.5158  0.7122 ?       ?         -0.51  -0.27  0.01   0.02   
1 1 1 25 20 25 o 12.114  1.0168 ?       ?         -0.99  -3.44  0.08   0.11   
1 1 1 25 20 26 o 5.2227  2.4218 ?       ?         -0.11  0.01   0.00   -0.00  
1 1 1 25 21 0  o 2.4495  0.6686 4.4442  -180.0000 0.01   0.00   0.00   0.00   
1 1 1 25 21 1  f 29.282  0.2423 29.670  -138.7000 3.05   -1.81  -2.01  1.39   
1 1 1 25 21 2  o 49.198  0.3131 48.293  -110.2000 -0.20  1.90   0.21   0.49   
1 1 1 25 21 3  o 26.232  0.8215 24.920  55.900    10.49  11.36  -0.08  -3.28  
1 1 1 25 21 4  o 18.371  0.3158 8.5195  -58.1000  0.49   -3.37  0.91   0.11   
1 1 1 25 21 5  o 25.480  0.1495 19.842  46.300    -0.31  0.11   0.12   0.29   
1 1 1 25 21 6  o 21.885  0.8230 21.037  108.900   -8.23  22.39  3.87   2.95   
1 1 1 25 21 7  o 38.131  0.3239 40.741  15.700    3.66   -0.28  -1.00  0.75   
1 1 1 25 21 8  o 5.9347  0.1859 7.0635  44.000    -0.05  -0.28  0.69   0.26   
1 1 1 25 21 9  o 24.360  0.2114 16.836  92.000    0.45   1.44   0.19   -0.33  
1 1 1 25 21 10 o 13.938  0.1403 18.111  -174.6000 -0.56  0.02   -0.24  -0.16  
1 1 1 25 21 11 o 19.754  0.1656 22.565  69.200    0.31   -0.83  0.80   -1.77  
1 1 1 25 21 12 o 28.956  0.5404 27.439  -124.8000 -4.33  -2.92  -0.03  -0.81  
1 1 1 25 21 13 o 5.7578  0.2732 6.2212  97.400    0.79   -0.99  0.21   0.34   
1 1 1 25 21 14 o 16.955  0.1774 21.796  159.900   -1.58  1.32   0.47   0.76   
1 1 1 25 21 15 o 6.9606  0.2600 4.7431  -179.2000 -0.20  0.03   -0.01  -0.00  
1 1 1 25 21 16 o 7.1660  0.2753 5.3534  -111.6000 -0.89  -1.28  -0.03  -0.38  
1 1 1 25 21 17 o 16.995  0.1736 18.081  65.400    0.74   0.86   -0.70  0.28   
1 1 1 25 21 18 o 11.013  0.2130 9.6046  -9.4000   0.18   0.28   0.04   0.07   
1 1 1 25 21 19 o 13.131  0.2172 12.670  -95.9000  -1.11  -1.73  -0.31  -0.46  
1 1 1 25 21 20 o 14.147  0.2000 14.029  35.300    1.22   -0.35  -0.04  -0.32  
1 1 1 25 21 21 o 9.7404  0.2785 8.3365  15.400    1.06   -0.74  -0.21  -0.19  
1 1 1 25 21 22 f 11.621  0.2821 11.519  65.600    0.86   0.48   0.12   0.06   
1 1 1 25 21 23 o 9.5466  0.6349 ?       ?         -0.27  0.02   0.00   0.00   
1 1 1 25 21 24 o 7.0090  0.5230 ?       ?         0.03   1.42   -0.08  0.02   
1 1 1 25 21 25 o 3.2188  1.1212 ?       ?         0.45   -0.55  -0.01  -0.02  
1 1 1 25 22 0  f 13.846  0.3795 10.859  -179.9000 0.04   0.00   0.00   0.00   
1 1 1 25 22 1  o 14.223  0.3132 7.2742  44.500    -1.00  3.14   0.88   0.91   
1 1 1 25 22 2  o 14.344  0.4132 2.8556  -138.0000 -2.47  -0.76  -0.45  -0.21  
1 1 1 25 22 3  o 14.220  0.4663 16.319  154.900   -7.82  3.41   -1.75  2.29   
1 1 1 25 22 4  o 6.1406  0.3787 2.4347  169.000   0.86   6.11   1.41   -0.45  
1 1 1 25 22 5  o 18.489  0.1736 19.337  -32.0000  1.01   -3.43  1.69   1.67   
1 1 1 25 22 6  o 27.291  0.2317 31.693  -126.6000 -4.74  1.06   -2.33  2.63   
1 1 1 25 22 7  o 15.037  0.1280 21.417  -15.8000  0.32   -0.14  0.74   0.60   
1 1 1 25 22 8  o 13.855  0.1990 9.4604  -173.0000 -0.21  -0.82  0.09   -0.08  
1 1 1 25 22 9  o 10.980  0.2389 11.098  -151.2000 1.24   0.35   -0.16  -0.14  
1 1 1 25 22 10 o 19.095  0.2109 20.201  60.000    -1.77  2.32   -0.08  1.21   
1 1 1 25 22 11 o 15.152  0.4055 13.623  77.100    6.25   3.71   -1.65  -1.90  
1 1 1 25 22 12 o 17.969  0.4292 13.481  107.200   1.74   4.76   0.93   -0.45  
1 1 1 25 22 13 o 9.1455  0.1904 5.6789  -10.2000  0.63   0.24   -0.44  0.03   
1 1 1 25 22 14 o 6.3911  0.4223 8.2370  43.700    -0.05  0.35   0.01   0.00   
1 1 1 25 22 15 f 16.428  0.2478 13.241  153.400   0.68   -0.07  -0.04  0.04   
1 1 1 25 22 16 o 9.8692  0.4841 9.5836  -145.7000 -0.46  -3.34  0.46   -0.00  
1 1 1 25 22 17 o 16.862  0.3275 18.855  142.100   0.07   1.93   0.20   0.26   
1 1 1 25 22 18 o 7.3493  0.2847 6.5226  -163.3000 -0.28  -0.33  -0.13  0.07   
1 1 1 25 22 19 o 3.2286  0.5679 4.0847  -125.9000 -0.52  -0.26  -0.08  -0.01  
1 1 1 25 22 20 o 5.0130  0.7288 4.7613  -143.9000 -0.10  -0.11  -0.00  -0.00  
1 1 1 25 22 21 o 7.8840  0.3896 7.4948  -73.3000  0.93   -1.09  -0.19  0.09   
1 1 1 25 22 22 o 4.7776  0.5462 ?       ?         0.33   -0.35  0.02   -0.01  
1 1 1 25 22 23 o 6.1260  0.5711 ?       ?         -0.23  -0.10  -0.00  0.00   
1 1 1 25 22 24 o 5.2626  0.7494 ?       ?         -0.34  -0.10  0.00   0.00   
1 1 1 25 22 25 o 4.9533  2.2780 ?       ?         0.15   0.19   -0.00  0.00   
1 1 1 25 23 0  o 23.757  0.2952 31.269  0.0000    -0.03  0.00   0.00   0.00   
1 1 1 25 23 1  o 14.676  0.4962 3.6235  121.800   1.97   6.34   1.91   -1.84  
1 1 1 25 23 2  o 3.6084  0.4117 3.3264  -139.1000 -0.78  0.06   -0.31  -0.00  
1 1 1 25 23 3  o 3.2099  0.4950 5.1093  -112.3000 0.12   -0.62  0.06   0.03   
1 1 1 25 23 4  o 19.229  0.1580 21.082  -179.3000 -2.26  -1.69  -0.08  -1.78  
1 1 1 25 23 5  o 11.404  0.1351 14.180  -70.5000  -0.04  -1.50  0.80   -0.24  
1 1 1 25 23 6  o 4.9094  0.2589 1.5256  -142.2000 1.53   -0.49  -0.29  0.24   
1 1 1 25 23 7  o 7.5890  0.3010 12.492  -75.5000  3.36   -3.98  0.19   2.23   
1 1 1 25 23 8  o 14.922  0.2476 15.405  165.700   -1.80  -0.60  -0.37  -0.17  
1 1 1 25 23 9  o 4.3419  0.2616 6.6991  -106.0000 -0.05  -0.17  0.02   -0.01  
1 1 1 25 23 10 o 4.9181  0.6115 5.5666  -2.5000   4.73   -0.57  -0.77  0.14   
1 1 1 25 23 11 o 8.0063  0.2015 8.4327  -6.1000   1.07   -1.20  0.32   0.67   
1 1 1 25 23 12 o 11.515  0.1689 9.2651  142.100   0.46   -0.07  0.86   -0.78  
1 1 1 25 23 13 f 18.745  0.2940 17.684  169.200   -1.70  -2.27  0.46   -0.45  
1 1 1 25 23 14 o 5.9759  0.3277 4.6622  104.600   -0.34  0.82   0.10   0.04   
1 1 1 25 23 15 o 4.8160  0.3445 6.3029  -67.2000  0.02   0.40   0.05   0.03   
1 1 1 25 23 16 o 11.355  0.2011 8.9781  -136.6000 -0.42  -0.95  0.20   -0.02  
1 1 1 25 23 17 o 0.5250  0.7878 2.6850  -90.9000  0.13   -0.05  -0.02  -0.09  
1 1 1 25 23 18 o 3.1308  0.5261 4.3609  18.400    0.07   0.03   0.01   -0.00  
1 1 1 25 23 19 o 4.7488  0.3995 4.3454  130.800   -0.08  -0.11  0.01   0.01   
1 1 1 25 23 20 o 9.4294  0.2904 10.509  -173.8000 -0.28  -0.45  -0.02  0.07   
1 1 1 25 23 21 o 7.1750  0.3832 8.1233  158.100   0.11   0.10   0.00   0.00   
1 1 1 25 23 22 o 6.2265  0.5315 ?       ?         0.40   -0.55  0.01   -0.04  
1 1 1 25 23 23 o 2.5041  1.2360 ?       ?         -0.19  0.03   0.00   0.00   
1 1 1 25 23 24 o 4.7497  0.7840 ?       ?         -0.05  -0.19  -0.00  0.00   
1 1 1 25 23 25 o 2.4177  1.3082 ?       ?         -0.12  0.01   0.00   -0.00  
1 1 1 25 24 0  o 7.6289  0.4099 13.487  180.000   -0.03  0.00   0.00   0.00   
1 1 1 25 24 1  o 23.740  0.5578 23.783  -9.6000   3.32   -6.80  0.85   1.51   
1 1 1 25 24 2  o 13.310  0.1993 10.129  -106.7000 0.94   0.05   -0.27  0.04   
1 1 1 25 24 3  o 30.540  0.7524 30.742  51.500    -4.10  2.61   -0.24  0.36   
1 1 1 25 24 4  o 14.432  0.3982 16.558  77.000    3.45   1.97   -0.42  -0.56  
1 1 1 25 24 5  o 19.508  0.4096 15.340  -12.9000  7.06   -0.59  -2.14  0.04   
1 1 1 25 24 6  o 27.803  0.1497 27.995  142.900   -0.13  0.89   0.58   -1.01  
1 1 1 25 24 7  f 6.3678  0.2666 5.3990  122.200   -0.18  0.51   0.03   0.02   
1 1 1 25 24 8  o 31.620  0.1660 33.473  63.100    -0.34  1.41   -2.64  1.45   
1 1 1 25 24 9  o 31.210  0.1694 34.158  69.800    0.79   0.74   -1.01  1.14   
1 1 1 25 24 10 o 10.879  0.3742 12.661  -93.4000  -2.36  -2.85  0.04   -0.66  
1 1 1 25 24 11 o 15.805  0.2899 14.215  137.600   -1.87  -0.90  -0.12  -0.34  
1 1 1 25 24 12 o 17.804  0.2107 15.546  -53.0000  4.06   -1.10  -2.30  0.01   
1 1 1 25 24 13 o 20.180  0.2180 19.388  -161.3000 -1.16  -0.21  -0.18  0.07   
1 1 1 25 24 14 o 14.909  0.1707 11.026  138.500   -0.13  -0.14  -0.01  -0.01  
1 1 1 25 24 15 o 5.9141  0.3041 5.8570  107.900   -0.63  1.04   0.31   0.18   
1 1 1 25 24 16 o 9.2035  0.2347 9.4539  -65.2000  0.06   -0.35  -0.15  0.09   
1 1 1 25 24 17 o 5.6585  0.3054 6.1075  -174.7000 -0.30  -0.53  0.07   -0.02  
1 1 1 25 24 18 o 15.816  0.1893 16.916  -158.8000 -1.77  0.81   -0.48  -0.60  
1 1 1 25 24 19 o 6.0989  0.3245 4.6160  -134.9000 -0.01  0.18   0.00   -0.00  
1 1 1 25 24 20 o 4.0258  0.5700 4.2160  -173.7000 -0.17  0.07   -0.00  -0.01  
1 1 1 25 24 21 o 7.4642  0.3612 7.2420  -90.7000  -0.71  -0.20  0.11   -0.01  
1 1 1 25 24 22 o 2.9043  1.3411 ?       ?         -0.45  -0.09  -0.02  0.02   
1 1 1 25 24 23 o 7.3045  0.5361 ?       ?         0.23   -0.08  0.00   -0.00  
1 1 1 25 24 24 f 2.5072  1.2087 ?       ?         -0.03  0.16   -0.00  -0.00  
1 1 1 25 24 25 o 11.287  0.5503 ?       ?         0.45   -3.07  0.02   -0.03  
1 1 1 25 25 0  o 35.957  0.6433 32.421  -179.9000 -0.63  0.00   0.00   0.00   
1 1 1 25 25 1  f 47.991  0.4633 49.759  90.000    0.00   0.50   0.00   0.00   
1 1 1 25 25 2  o 8.3247  0.3678 10.014  -0.4000   -0.00  0.00   0.00   0.00   
1 1 1 25 25 3  o 2.4698  0.7484 2.3932  90.100    -0.00  -0.01  0.00   0.00   
1 1 1 25 25 4  o 9.3488  0.2041 3.3717  -179.6000 0.09   0.00   0.00   0.00   
1 1 1 25 25 5  o 32.778  0.2212 29.558  90.000    0.00   0.52   0.00   0.00   
1 1 1 25 25 6  o 8.7407  0.2285 9.0859  -179.8000 -0.07  0.00   0.00   0.00   
1 1 1 25 25 7  o 21.211  0.1985 9.7387  -90.0000  -0.00  -0.24  0.00   0.00   
1 1 1 25 25 8  o 31.578  0.3073 26.986  -180.0000 0.35   0.00   0.00   0.00   
1 1 1 25 25 9  o 9.8843  0.2080 9.4018  -90.0000  -0.00  -0.05  0.00   0.00   
1 1 1 25 25 10 o 12.973  0.2235 14.917  0.0000    -0.06  0.00   0.00   0.00   
1 1 1 25 25 11 o 8.4558  0.2637 8.8513  90.000    0.00   0.05   0.00   0.00   
1 1 1 25 25 12 o 10.592  0.2400 10.620  0.0000    0.20   0.00   0.00   0.00   
1 1 1 25 25 13 o 10.109  0.2415 13.009  -90.0000  -0.00  -0.40  0.00   0.00   
1 1 1 25 25 14 o 11.380  0.2703 8.5866  0.0000    0.28   0.00   0.00   0.00   
1 1 1 25 25 15 o 4.0743  0.5378 3.2793  -90.0000  0.00   0.00   0.00   0.00   
1 1 1 25 25 16 o 1.8439  0.9020 0.9331  0.0000    -0.03  0.00   0.00   0.00   
1 1 1 25 25 17 f 21.774  0.2609 16.714  -90.0000  -0.00  -0.35  0.00   0.00   
1 1 1 25 25 18 o 21.746  0.2949 23.237  180.000   -0.83  0.00   0.00   0.00   
1 1 1 25 25 19 o 1.8166  0.9511 2.0125  90.000    0.00   0.08   0.00   0.00   
1 1 1 25 25 20 o 6.1644  0.5217 6.9276  180.000   -0.26  0.00   0.00   0.00   
1 1 1 25 25 21 o 0.0000  2.7568 0.3570  -90.0000  0.00   0.08   0.00   0.00   
1 1 1 25 25 22 o 10.968  0.5423 ?       ?         -0.73  0.00   0.00   0.00   
1 1 1 25 25 23 o 7.1833  0.7579 ?       ?         0.00   0.25   0.00   0.00   
1 1 1 25 25 24 o 13.730  0.6030 ?       ?         -1.22  0.00   0.00   0.00   
1 1 1 25 25 25 o 10.325  0.8559 ?       ?         0.00   0.97   0.00   0.00   
1 1 1 26 0  0  o 55.372  0.5675 56.287  -0.0000   -0.26  0.00   0.00   0.00   
1 1 1 26 0  1  f 15.070  0.1511 12.146  -45.0000  -0.11  0.11   0.00   0.00   
1 1 1 26 0  2  o 93.945  0.5666 95.531  90.000    -0.00  -0.61  0.00   0.00   
1 1 1 26 0  3  o 9.0554  0.1998 5.7868  45.100    -0.07  -0.07  0.00   0.00   
1 1 1 26 0  4  o 7.6026  0.2235 4.3704  -179.7000 -0.00  0.00   0.00   0.00   
1 1 1 26 0  5  o 4.9598  0.2493 14.075  135.000   0.00   -0.00  0.00   0.00   
1 1 1 26 0  6  o 12.333  0.1995 15.889  -89.9000  0.00   0.10   0.00   0.00   
1 1 1 26 0  7  o 5.8138  0.2393 10.183  45.100    -0.04  -0.04  0.00   0.00   
1 1 1 26 0  8  o 13.149  0.2243 15.352  180.000   0.06   0.00   0.00   0.00   
1 1 1 26 0  9  o 28.704  0.2384 26.987  -45.1000  -0.09  0.09   0.00   0.00   
1 1 1 26 0  10 o 17.576  0.1858 16.620  89.900    -0.00  -0.01  0.00   0.00   
1 1 1 26 0  11 o 20.295  0.2121 25.813  45.000    0.13   0.13   0.00   0.00   
1 1 1 26 0  12 o 15.123  0.2504 15.366  0.1000    0.06   0.00   0.00   0.00   
1 1 1 26 0  13 o 16.322  0.2266 19.157  -45.1000  0.04   -0.04  0.00   0.00   
1 1 1 26 0  14 o 11.954  0.2659 10.760  -90.0000  -0.00  -0.15  0.00   0.00   
1 1 1 26 0  15 o 3.5917  0.5496 1.0581  45.100    -0.02  -0.02  0.00   0.00   
1 1 1 26 0  16 o 21.993  0.2273 23.732  180.000   -0.32  0.00   0.00   0.00   
1 1 1 26 0  17 o 5.9917  0.3540 9.3718  -45.0000  0.09   -0.09  0.00   0.00   
1 1 1 26 0  18 o 4.0988  0.5448 4.2987  90.000    -0.00  -0.06  0.00   0.00   
1 1 1 26 0  19 o 13.180  0.2640 14.750  45.000    0.11   0.11   0.00   0.00   
1 1 1 26 0  20 o 15.139  0.2820 13.779  -180.0000 -0.04  0.00   0.00   0.00   
1 1 1 26 0  21 o 14.036  0.2759 15.006  135.000   -0.14  0.14   0.00   0.00   
1 1 1 26 0  22 o 14.096  0.2850 14.408  -90.0000  -0.00  -0.08  0.00   0.00   
1 1 1 26 0  23 o 6.1887  0.4925 7.5071  -135.0000 -0.08  -0.08  0.00   0.00   
1 1 1 26 0  24 o 0.0000  3.1145 ?       ?         -0.06  0.00   0.00   0.00   
1 1 1 26 0  25 o 3.4496  1.2525 ?       ?         -0.00  0.00   0.00   0.00   
1 1 1 26 1  0  o 18.336  0.2076 23.990  180.000   0.05   0.00   0.00   0.00   
1 1 1 26 1  1  o 25.202  0.1966 27.971  -178.6000 0.79   -0.10  -0.13  0.01   
1 1 1 26 1  2  o 16.889  0.6420 11.054  75.700    -0.03  13.93  3.80   -0.13  
1 1 1 26 1  3  o 24.446  0.1559 30.202  -57.4000  0.16   0.19   0.01   -0.02  
1 1 1 26 1  4  o 21.802  0.1240 13.055  -69.0000  -1.26  0.03   -1.02  0.36   
1 1 1 26 1  5  o 19.043  0.4659 13.101  81.000    -1.87  8.77   2.63   0.97   
1 1 1 26 1  6  o 8.4137  0.7435 6.6446  -106.9000 12.98  -16.46 1.48   5.65   
1 1 1 26 1  7  f 24.227  0.2464 24.007  85.400    0.55   1.94   0.47   -0.18  
1 1 1 26 1  8  o 36.298  0.3844 41.743  153.100   -3.88  -1.82  -0.55  -1.29  
1 1 1 26 1  9  o 35.094  0.3656 32.076  -11.5000  0.97   -4.77  1.80   0.24   
1 1 1 26 1  10 o 25.810  0.1813 26.882  19.700    -0.17  0.18   0.15   -0.29  
1 1 1 26 1  11 f 5.8483  0.2167 7.1856  163.600   0.08   0.05   -0.54  0.36   
1 1 1 26 1  12 o 16.429  0.2058 16.425  18.000    0.69   0.02   -0.09  -0.03  
1 1 1 26 1  13 o 32.737  0.2161 31.440  -79.6000  0.36   -0.09  -0.01  0.02   
1 1 1 26 1  14 f 7.7673  0.2674 3.7612  -85.6000  -1.73  0.64   -0.34  0.39   
1 1 1 26 1  15 o 28.633  0.3466 27.191  -111.7000 -2.04  -4.06  1.41   -0.71  
1 1 1 26 1  16 o 19.005  0.1510 20.383  -18.1000  1.39   1.05   0.40   -0.84  
1 1 1 26 1  17 o 8.8521  0.6087 7.1697  -139.9000 -1.87  -3.86  0.55   -0.45  
1 1 1 26 1  18 o 4.5962  0.3486 3.9886  -109.0000 0.44   -0.05  -0.03  0.02   
1 1 1 26 1  19 o 5.5189  0.3312 3.4439  -133.3000 0.34   -0.10  -0.01  -0.39  
1 1 1 26 1  20 f 5.6488  0.3536 1.3119  -58.8000  -0.48  -0.24  0.36   -0.14  
1 1 1 26 1  21 o 6.8875  0.3148 7.6008  12.600    -0.03  -0.35  -0.10  -0.09  
1 1 1 26 1  22 o 10.913  0.3427 10.444  -25.5000  0.95   0.59   -0.12  -0.02  
1 1 1 26 1  23 o 2.5164  0.7011 2.8615  -107.8000 0.15   -0.10  0.03   -0.01  
1 1 1 26 1  24 o 8.0085  0.4285 ?       ?         0.11   -0.17  0.00   -0.01  
1 1 1 26 1  25 o 4.3883  1.2703 ?       ?         0.29   -0.35  -0.02  0.00   
1 1 1 26 2  0  o 19.160  0.2549 3.7120  0.1000    -0.04  0.00   0.00   0.00   
1 1 1 26 2  1  o 35.722  0.5277 41.444  -19.8000  7.29   -3.96  -1.03  2.10   
1 1 1 26 2  2  o 44.051  0.2208 40.532  -129.3000 -0.25  -0.84  0.92   1.95   
1 1 1 26 2  3  o 10.886  0.5843 7.4222  -178.1000 -6.61  2.58   -0.91  0.79   
1 1 1 26 2  4  o 45.697  0.5027 44.541  -68.1000  1.33   -2.80  0.32   0.25   
1 1 1 26 2  5  o 19.765  0.3086 11.417  93.800    -5.04  -0.98  -2.07  -0.58  
1 1 1 26 2  6  o 26.752  0.2409 29.593  45.000    0.45   2.07   0.59   -0.13  
1 1 1 26 2  7  o 40.429  0.4592 41.067  -138.2000 -7.14  -1.34  -2.49  -0.39  
1 1 1 26 2  8  o 22.140  0.1731 22.017  158.700   0.17   1.29   0.46   -0.31  
1 1 1 26 2  9  o 17.914  0.2246 17.410  126.700   -0.90  2.87   1.38   0.62   
1 1 1 26 2  10 o 27.602  0.7487 26.553  31.600    9.93   -2.42  -1.65  1.11   
1 1 1 26 2  11 o 11.124  0.1836 13.479  77.300    0.34   0.20   -0.04  -0.05  
1 1 1 26 2  12 o 46.223  0.2227 42.604  -110.4000 -0.53  -1.12  -0.08  -0.38  
1 1 1 26 2  13 o 10.735  0.1985 10.943  -78.7000  1.68   -1.54  0.14   1.20   
1 1 1 26 2  14 o 25.797  0.6406 27.228  6.8000    13.28  10.07  -0.59  -4.92  
1 1 1 26 2  15 o 23.100  0.1919 22.734  -86.6000  -1.71  0.74   -0.82  0.11   
1 1 1 26 2  16 o 25.130  0.2080 25.395  123.000   -1.36  1.18   -0.43  0.34   
1 1 1 26 2  17 f 12.788  0.2688 17.509  -47.1000  2.43   -1.57  -0.98  0.69   
1 1 1 26 2  18 o 9.1625  0.5956 10.409  -126.9000 1.09   -5.01  0.68   0.49   
1 1 1 26 2  19 o 2.8612  0.5695 1.7673  -156.2000 0.43   0.19   -0.07  -0.03  
1 1 1 26 2  20 o 3.9547  0.4286 3.9649  -68.4000  0.17   0.41   0.00   -0.07  
1 1 1 26 2  21 o 6.0739  0.3687 6.8270  136.600   -0.02  0.55   0.04   0.06   
1 1 1 26 2  22 o 11.391  0.2340 12.217  -175.7000 -1.65  -0.37  1.36   0.26   
1 1 1 26 2  23 o 6.5004  0.3671 5.6291  -25.7000  0.18   -0.29  -0.03  -0.05  
1 1 1 26 2  24 o 11.641  0.7111 ?       ?         0.66   -1.85  -0.02  0.11   
1 1 1 26 2  25 o 6.8972  0.6457 ?       ?         0.24   0.21   -0.00  0.01   
1 1 1 26 3  0  o 17.919  0.1549 19.511  -0.1000   -0.03  0.00   0.00   0.00   
1 1 1 26 3  1  o 21.515  0.3103 25.791  114.500   -3.01  0.92   -0.68  0.58   
1 1 1 26 3  2  o 60.810  0.6181 58.623  72.300    11.54  0.60   -5.34  0.99   
1 1 1 26 3  3  o 21.722  0.2767 27.325  11.600    5.29   -4.41  -0.31  5.09   
1 1 1 26 3  4  o 13.891  0.1109 17.702  41.100    -0.01  0.37   0.30   0.15   
1 1 1 26 3  5  f 43.087  0.2678 44.378  69.700    -3.25  4.04   -0.51  3.68   
1 1 1 26 3  6  o 18.928  0.1517 18.509  -34.2000  -0.66  0.30   -3.66  -1.17  
1 1 1 26 3  7  o 21.171  0.2689 5.7239  113.500   -0.63  2.80   0.95   0.27   
1 1 1 26 3  8  o 24.209  0.3466 24.719  -9.5000   2.28   0.52   -0.37  -0.27  
1 1 1 26 3  9  o 15.730  0.3444 18.027  -135.7000 -4.59  2.40   -0.87  1.57   
1 1 1 26 3  10 o 34.412  0.6209 31.836  1.0000    2.02   -2.13  -0.04  0.27   
1 1 1 26 3  11 o 15.838  0.1588 12.386  -55.8000  2.18   0.11   -2.76  -1.22  
1 1 1 26 3  12 o 20.854  0.1369 23.609  110.900   -0.19  0.07   -0.06  -0.33  
1 1 1 26 3  13 o 9.5371  0.1811 12.877  98.200    -1.23  -0.12  -0.52  0.02   
1 1 1 26 3  14 o 26.463  0.5406 23.744  -27.7000  9.23   0.64   -1.96  -0.65  
1 1 1 26 3  15 o 14.534  0.1502 13.744  40.600    0.30   0.38   0.12   -0.09  
1 1 1 26 3  16 o 11.515  0.1734 11.585  101.300   0.30   0.41   -0.04  -0.13  
1 1 1 26 3  17 o 6.5810  0.2782 5.2904  24.400    0.92   0.09   -0.44  0.25   
1 1 1 26 3  18 o 7.0656  0.2576 4.9321  33.300    -0.14  0.26   0.00   0.02   
1 1 1 26 3  19 o 8.2599  0.2497 7.0615  40.000    0.04   0.26   -0.05  -0.10  
1 1 1 26 3  20 o 5.9272  0.4075 5.3155  -122.0000 -0.45  -0.85  0.02   -0.10  
1 1 1 26 3  21 o 22.039  0.1758 22.498  21.200    1.00   1.03   0.29   0.44   
1 1 1 26 3  22 o 4.8004  0.8117 5.1640  -113.5000 0.72   -1.11  -0.00  0.10   
1 1 1 26 3  23 o 8.6753  0.3163 9.4956  135.700   0.54   0.38   -0.07  0.02   
1 1 1 26 3  24 o 10.388  0.3526 ?       ?         0.25   -0.49  -0.00  -0.03  
1 1 1 26 3  25 o 4.0848  1.1814 ?       ?         0.01   0.01   0.00   0.00   
1 1 1 26 4  0  o 42.396  0.2649 33.448  0.0000    0.13   0.00   0.00   0.00   
1 1 1 26 4  1  f 52.938  0.2591 49.457  -75.7000  -3.97  -3.90  -2.61  -4.90  
1 1 1 26 4  2  o 62.605  0.4614 63.026  76.100    5.29   3.23   -2.01  -1.75  
1 1 1 26 4  3  o 29.356  0.3252 21.679  40.900    -1.05  4.26   1.30   0.95   
1 1 1 26 4  4  o 2.6687  0.2701 0.8993  -158.7000 0.05   -0.18  0.04   0.03   
1 1 1 26 4  5  o 27.838  0.1601 30.632  -120.8000 1.43   -0.82  -0.14  1.68   
1 1 1 26 4  6  o 11.928  0.1520 9.6895  107.300   0.50   0.26   -0.05  -0.10  
1 1 1 26 4  7  o 16.869  0.3490 17.963  33.400    7.09   -2.91  -2.59  3.12   
1 1 1 26 4  8  o 13.691  0.5112 15.978  -71.7000  -0.48  -5.22  0.99   -0.11  
1 1 1 26 4  9  o 25.881  0.2786 21.482  -113.0000 3.10   -2.26  -0.93  1.51   
1 1 1 26 4  10 o 31.732  0.1814 22.694  -55.8000  0.11   -0.93  0.62   -0.80  
1 1 1 26 4  11 o 43.391  0.2267 38.329  -34.6000  1.19   -0.57  -0.54  0.08   
1 1 1 26 4  12 o 10.671  0.1480 11.699  142.500   -0.14  -0.23  -0.49  -0.63  
1 1 1 26 4  13 o 35.096  0.1881 39.152  130.200   0.16   -0.36  -0.17  0.07   
1 1 1 26 4  14 o 12.808  0.1750 15.423  102.300   0.10   0.02   0.11   -0.01  
1 1 1 26 4  15 o 10.030  0.4873 9.6213  -48.0000  1.78   -4.16  0.53   0.73   
1 1 1 26 4  16 o 24.600  0.1569 24.133  -37.3000  0.05   0.23   -0.06  -0.02  
1 1 1 26 4  17 o 8.3540  0.5161 7.2347  173.700   -2.58  -0.08  -0.32  -0.10  
1 1 1 26 4  18 o 5.6983  0.3254 6.2601  -51.1000  0.75   0.75   -0.12  -0.25  
1 1 1 26 4  19 o 7.3432  0.2529 10.445  52.800    -0.04  0.25   0.02   -0.13  
1 1 1 26 4  20 o 7.2700  0.2766 6.7042  8.4000    0.59   -0.06  -0.10  -0.09  
1 1 1 26 4  21 o 3.1851  0.6466 2.6736  123.100   -0.17  -0.34  0.02   -0.01  
1 1 1 26 4  22 o 9.5849  0.5749 9.9651  -85.3000  1.45   -2.21  -0.06  0.30   
1 1 1 26 4  23 o 11.757  0.2521 12.206  89.300    1.16   0.25   -0.05  0.20   
1 1 1 26 4  24 o 4.7446  0.5430 ?       ?         -0.03  -0.28  -0.02  0.01   
1 1 1 26 4  25 o 7.1684  0.5173 ?       ?         1.47   -0.65  0.11   -0.18  
1 1 1 26 5  0  o 3.4205  0.2950 2.3042  -0.2000   0.01   0.00   0.00   0.00   
1 1 1 26 5  1  o 11.271  0.5161 13.195  -169.7000 -6.76  -7.42  0.17   -2.65  
1 1 1 26 5  2  o 52.352  0.4239 59.221  4.0000    3.27   2.81   0.22   -1.37  
1 1 1 26 5  3  o 43.222  0.6005 33.725  40.800    4.73   2.47   -0.59  -0.63  
1 1 1 26 5  4  o 22.320  0.3499 27.076  138.800   7.06   5.39   -1.63  -4.23  
1 1 1 26 5  5  o 20.787  0.7078 19.755  29.400    8.83   4.05   -0.94  -0.99  
1 1 1 26 5  6  o 40.292  0.3700 43.418  120.100   -3.50  4.34   0.97   1.92   
1 1 1 26 5  7  o 27.530  0.2270 21.495  143.300   -1.14  1.38   -0.11  0.65   
1 1 1 26 5  8  o 21.397  0.6193 19.563  55.400    12.19  0.08   -4.09  -0.46  
1 1 1 26 5  9  o 34.481  0.3039 38.379  5.4000    0.25   -0.86  0.06   0.07   
1 1 1 26 5  10 o 29.420  0.6106 25.263  -159.1000 -6.39  -4.29  -0.40  -1.69  
1 1 1 26 5  11 o 38.517  0.4226 40.376  -7.7000   5.15   4.64   0.88   -3.08  
1 1 1 26 5  12 o 4.1285  0.2909 6.0694  -119.7000 0.32   0.02   -0.32  0.07   
1 1 1 26 5  13 o 15.659  0.3837 14.026  -44.0000  7.37   -2.92  -2.92  2.06   
1 1 1 26 5  14 o 11.061  0.1632 14.361  94.700    0.78   0.23   -0.33  -0.63  
1 1 1 26 5  15 o 5.2824  0.2910 7.1751  -83.0000  0.03   0.29   0.02   -0.01  
1 1 1 26 5  16 o 14.394  0.1572 14.923  56.200    1.09   -0.09  -0.26  0.21   
1 1 1 26 5  17 o 15.388  0.2369 15.078  -1.5000   1.22   0.10   -0.22  0.12   
1 1 1 26 5  18 o 18.314  0.1680 15.043  -76.9000  -0.51  -0.26  -0.13  0.10   
1 1 1 26 5  19 o 9.5285  0.2078 8.1058  38.900    0.38   0.39   -0.28  -0.08  
1 1 1 26 5  20 o 14.690  0.1931 14.223  -20.4000  -1.54  -0.58  -0.51  0.27   
1 1 1 26 5  21 o 4.8326  0.4294 6.1001  90.300    -0.51  0.56   -0.07  0.09   
1 1 1 26 5  22 o 8.6915  0.2778 8.4265  80.600    -0.20  0.36   -0.08  -0.03  
1 1 1 26 5  23 o 3.1628  0.6329 2.2705  -178.3000 -0.28  0.13   0.07   -0.03  
1 1 1 26 5  24 o 1.8279  0.9250 ?       ?         0.10   0.00   0.01   -0.00  
1 1 1 26 5  25 o 5.0368  0.7638 ?       ?         -0.13  -0.43  -0.01  -0.01  
1 1 1 26 6  0  o 23.292  0.2506 27.172  -179.9000 0.25   0.00   0.00   0.00   
1 1 1 26 6  1  o 34.577  0.1778 32.691  -113.1000 -1.95  0.04   -3.22  2.97   
1 1 1 26 6  2  o 8.9256  0.1061 6.2067  -61.9000  0.71   -0.10  -0.62  0.08   
1 1 1 26 6  3  o 22.257  0.8086 12.854  -59.7000  13.40  -17.08 1.52   5.16   
1 1 1 26 6  4  f 44.114  0.5289 46.134  -170.1000 -4.79  8.53   2.43   2.64   
1 1 1 26 6  5  o 13.698  0.6063 13.596  -92.8000  -1.05  -16.03 4.52   -0.74  
1 1 1 26 6  6  o 34.164  0.1881 41.968  -111.8000 0.15   -0.16  -0.14  -0.24  
1 1 1 26 6  7  o 60.850  0.5972 57.481  -131.9000 -2.32  -4.04  0.79   -0.53  
1 1 1 26 6  8  o 32.520  0.2002 39.034  100.800   -0.05  0.39   0.12   -0.28  
1 1 1 26 6  9  o 11.305  0.1249 8.1142  2.2000    0.22   0.02   -0.28  0.56   
1 1 1 26 6  10 o 19.117  0.4776 15.185  -177.4000 -6.33  -3.20  -0.84  -1.38  
1 1 1 26 6  11 o 18.750  0.1364 17.561  113.300   0.10   0.14   -0.04  -0.06  
1 1 1 26 6  12 o 36.511  0.1869 36.662  -0.2000   0.54   -0.41  0.21   0.22   
1 1 1 26 6  13 o 20.899  0.1467 20.089  -13.9000  -0.33  0.32   0.84   -0.28  
1 1 1 26 6  14 o 16.630  0.1575 18.543  141.100   -0.41  1.51   0.90   0.07   
1 1 1 26 6  15 f 15.787  0.1494 19.810  -107.0000 0.00   -0.05  -0.01  0.01   
1 1 1 26 6  16 o 22.785  0.1727 23.840  179.200   -1.33  0.74   0.11   0.49   
1 1 1 26 6  17 o 10.089  0.2578 10.341  118.300   -0.66  -0.02  -0.06  -0.04  
1 1 1 26 6  18 o 12.952  0.3679 13.275  31.900    1.67   1.04   -0.02  -0.28  
1 1 1 26 6  19 o 13.881  0.2835 15.123  -106.7000 1.24   -1.91  -0.10  0.59   
1 1 1 26 6  20 o 6.7650  0.5611 7.2473  76.200    0.43   -1.44  0.12   0.03   
1 1 1 26 6  21 o 7.4967  0.3135 6.1602  -174.0000 0.19   -0.19  0.01   -0.08  
1 1 1 26 6  22 o 5.3161  0.8326 3.6267  -97.9000  0.50   0.66   0.02   -0.02  
1 1 1 26 6  23 o 7.0056  0.3888 7.6459  54.100    0.07   0.28   -0.02  -0.01  
1 1 1 26 6  24 o 7.5694  0.4404 ?       ?         0.64   0.17   -0.00  0.05   
1 1 1 26 6  25 o 4.0241  1.4388 ?       ?         -0.07  -0.28  -0.01  -0.00  
1 1 1 26 7  0  o 38.815  0.2788 46.754  -0.0000   -0.11  0.00   0.00   0.00   
1 1 1 26 7  1  o 31.821  0.1618 32.873  7.6000    0.88   -0.19  -0.22  0.21   
1 1 1 26 7  2  o 18.504  0.3541 18.457  162.800   -4.35  1.70   -0.88  0.94   
1 1 1 26 7  3  f 37.172  0.2036 32.220  133.000   -1.54  -0.65  -0.24  -0.66  
1 1 1 26 7  4  o 18.710  0.4056 23.987  -52.1000  2.86   -3.40  0.08   0.81   
1 1 1 26 7  5  f 29.001  0.1514 24.390  64.700    -0.36  0.41   0.16   0.18   
1 1 1 26 7  6  o 43.849  0.3227 50.800  -99.2000  -2.06  -1.85  -0.32  -0.66  
1 1 1 26 7  7  o 24.437  0.1500 19.938  -142.0000 0.04   0.05   -0.02  0.01   
1 1 1 26 7  8  o 52.727  0.8511 46.824  67.500    5.28   8.29   1.09   -1.38  
1 1 1 26 7  9  o 31.136  0.4097 33.012  -116.9000 -0.64  -1.57  0.17   -0.10  
1 1 1 26 7  10 o 9.2297  0.1558 11.104  -46.3000  0.42   0.06   -0.10  -0.05  
1 1 1 26 7  11 o 16.570  0.2782 19.826  -109.3000 -2.06  -0.85  -0.49  -0.33  
1 1 1 26 7  12 o 25.096  0.1945 22.357  65.900    0.06   1.87   0.68   -0.32  
1 1 1 26 7  13 o 9.5902  0.2422 10.436  -177.4000 -1.06  0.41   -0.15  0.10   
1 1 1 26 7  14 o 10.669  0.1861 11.096  96.900    -0.49  0.11   -0.49  -0.15  
1 1 1 26 7  15 o 29.498  0.1758 25.585  48.100    0.30   0.46   -0.26  0.05   
1 1 1 26 7  16 o 14.328  0.1691 15.599  -80.5000  0.09   -0.33  -0.42  -0.03  
1 1 1 26 7  17 o 20.056  0.3666 22.411  -73.9000  -0.60  -2.93  0.35   -0.53  
1 1 1 26 7  18 o 10.669  0.3429 10.108  76.500    -1.70  0.94   -0.28  0.20   
1 1 1 26 7  19 o 10.201  0.2096 8.4020  -0.9000   0.10   -0.62  0.14   -0.10  
1 1 1 26 7  20 o 18.929  0.1809 16.469  -103.3000 -0.07  -0.23  -0.01  -0.01  
1 1 1 26 7  21 o 3.3700  0.6873 1.7059  -54.8000  0.02   0.11   0.00   -0.00  
1 1 1 26 7  22 o 4.8174  0.4447 6.0490  -168.3000 0.05   -0.24  -0.01  0.02   
1 1 1 26 7  23 o 6.4423  0.3725 6.2287  -59.5000  -1.59  -0.41  -0.28  0.18   
1 1 1 26 7  24 o 13.206  0.2739 ?       ?         -1.05  -0.49  0.04   0.11   
1 1 1 26 7  25 o 4.8439  0.8292 ?       ?         -0.09  0.37   -0.01  -0.01  
1 1 1 26 7  26 o 8.1363  1.2767 ?       ?         -0.93  -1.25  0.00   0.00   
1 1 1 26 8  0  o 11.632  0.1569 1.9716  178.200   -0.09  0.00   0.00   0.00   
1 1 1 26 8  1  o 44.951  0.1995 48.047  23.100    -0.14  0.32   0.18   -0.41  
1 1 1 26 8  2  o 50.094  0.2386 43.201  -35.3000  0.48   -0.93  1.09   -0.64  
1 1 1 26 8  3  o 62.377  0.2730 65.056  56.600    0.05   -0.81  -0.01  0.42   
1 1 1 26 8  4  o 47.448  0.2805 45.056  139.200   -5.10  -1.58  -2.03  -3.25  
1 1 1 26 8  5  o 25.864  0.3743 28.561  -147.8000 -2.17  -3.97  0.69   -0.82  
1 1 1 26 8  6  f 15.471  0.1568 31.595  98.200    -0.39  0.03   -0.12  -0.02  
1 1 1 26 8  7  o 23.354  0.8471 28.021  -88.3000  7.69   -15.85 2.30   3.40   
1 1 1 26 8  8  o 30.280  0.3676 28.557  -14.3000  5.40   7.36   2.78   -4.90  
1 1 1 26 8  9  o 12.834  0.3361 9.9692  88.900    0.32   0.85   0.05   -0.05  
1 1 1 26 8  10 o 21.420  0.1546 20.253  -81.0000  -0.07  0.21   0.15   -0.35  
1 1 1 26 8  11 o 12.896  0.6564 16.333  108.700   -11.39 5.15   -2.27  2.28   
1 1 1 26 8  12 o 14.416  0.3248 14.065  -98.1000  -2.17  -2.36  0.16   -0.76  
1 1 1 26 8  13 o 47.011  0.2262 47.429  -91.9000  0.59   -0.70  0.32   -0.12  
1 1 1 26 8  14 o 29.941  0.3488 26.554  -121.2000 0.62   -4.04  0.86   0.69   
1 1 1 26 8  15 o 5.3574  0.3849 2.0595  72.700    1.34   1.25   0.02   -0.34  
1 1 1 26 8  16 o 5.2120  0.6109 3.1358  149.900   0.82   0.63   -0.01  -0.05  
1 1 1 26 8  17 o 7.9897  0.2305 5.8172  6.6000    -0.45  0.05   -0.06  0.07   
1 1 1 26 8  18 o 12.765  0.1872 14.809  -30.9000  0.30   -0.16  0.17   -0.05  
1 1 1 26 8  19 o 11.357  0.2160 10.894  106.000   -0.30  0.07   -0.03  -0.01  
1 1 1 26 8  20 o 13.774  0.4882 13.323  -129.5000 -2.66  -0.50  -0.32  0.05   
1 1 1 26 8  21 o 2.3670  1.0776 2.3248  122.100   0.25   0.14   0.00   -0.02  
1 1 1 26 8  22 o 11.160  0.2375 11.486  -44.5000  1.10   0.16   0.44   -0.06  
1 1 1 26 8  23 o 13.362  0.2623 13.173  78.500    -0.46  0.21   -0.02  -0.02  
1 1 1 26 8  24 o 6.0185  0.4850 ?       ?         -0.37  0.27   -0.01  -0.03  
1 1 1 26 8  25 o 7.0919  0.8315 ?       ?         -0.63  -0.02  0.00   0.01   
1 1 1 26 8  26 o 6.4420  1.0545 ?       ?         -0.43  -0.12  0.00   0.00   
1 1 1 26 9  0  o 31.263  0.2207 29.362  180.000   0.27   0.00   0.00   0.00   
1 1 1 26 9  1  o 42.990  0.5207 32.565  -178.5000 -0.86  12.46  5.55   -0.25  
1 1 1 26 9  2  o 17.556  0.6024 23.129  49.300    9.83   7.59   -0.85  -2.73  
1 1 1 26 9  3  o 39.783  0.3609 43.948  -145.1000 -5.65  2.77   -1.18  2.65   
1 1 1 26 9  4  o 11.554  0.2846 16.014  -40.9000  -4.09  -1.33  -1.17  -0.96  
1 1 1 26 9  5  o 52.365  0.2417 51.582  30.500    -0.12  -0.23  -0.10  0.07   
1 1 1 26 9  6  o 14.530  0.2847 11.718  -105.0000 -1.95  -2.70  0.23   -1.18  
1 1 1 26 9  7  o 33.348  0.1885 35.974  161.100   0.36   0.15   0.14   -0.20  
1 1 1 26 9  8  o 19.256  0.2910 16.794  -113.0000 0.28   -3.61  1.14   0.35   
1 1 1 26 9  9  o 28.949  0.1589 37.573  76.700    -0.64  0.84   -0.32  0.62   
1 1 1 26 9  10 o 7.4002  0.1696 7.5671  -166.8000 -0.42  -0.82  0.33   -0.71  
1 1 1 26 9  11 o 26.415  0.1660 27.525  99.800    -1.57  -0.22  -0.81  -1.49  
1 1 1 26 9  12 o 31.131  0.1832 28.966  19.000    1.18   1.13   1.75   -0.81  
1 1 1 26 9  13 o 8.4795  0.1827 2.6327  -93.6000  0.29   -1.73  1.47   0.09   
1 1 1 26 9  14 o 9.4661  0.4359 7.8659  144.400   -3.04  -3.51  0.29   -1.10  
1 1 1 26 9  15 o 8.1036  0.4121 9.5760  -162.2000 -0.63  0.99   0.05   0.07   
1 1 1 26 9  16 o 9.7935  0.2676 8.9483  -53.6000  1.42   -0.68  -0.26  0.18   
1 1 1 26 9  17 o 15.597  0.5581 15.242  -106.6000 -3.69  -4.68  0.51   -0.90  
1 1 1 26 9  18 o 19.697  0.1767 19.273  -118.9000 -0.52  -0.03  -0.01  0.12   
1 1 1 26 9  19 o 14.433  0.3292 13.067  -78.7000  -1.61  -1.78  -0.37  -0.46  
1 1 1 26 9  20 f 6.2552  0.3181 8.1944  -122.6000 -0.36  -0.42  0.18   -0.02  
1 1 1 26 9  21 o 5.9192  0.3640 5.9052  -92.9000  0.43   -0.59  -0.08  0.09   
1 1 1 26 9  22 o 7.5516  0.2970 9.1922  -166.6000 0.09   -0.36  -0.02  0.04   
1 1 1 26 9  23 o 9.0790  0.3276 9.4386  54.300    0.97   -0.39  0.09   -0.26  
1 1 1 26 9  24 o 7.0521  0.4186 ?       ?         0.54   -0.35  -0.04  -0.03  
1 1 1 26 9  25 o 4.1897  0.9416 ?       ?         -0.45  0.17   0.02   -0.00  
1 1 1 26 10 0  o 6.9857  0.1881 8.0543  180.000   0.00   0.00   0.00   0.00   
1 1 1 26 10 1  o 14.463  0.1257 8.0504  68.500    0.68   0.22   -2.72  0.07   
1 1 1 26 10 2  o 10.644  0.1350 7.3792  -83.3000  0.81   0.30   -0.45  -0.26  
1 1 1 26 10 3  o 54.653  0.5086 50.860  -53.6000  -0.30  -3.99  0.76   0.12   
1 1 1 26 10 4  o 34.366  0.1770 47.584  110.800   -2.00  0.43   -1.12  -0.01  
1 1 1 26 10 5  o 25.009  0.1376 23.329  -92.7000  0.80   -0.49  -1.71  0.57   
1 1 1 26 10 6  o 14.653  0.6593 8.3716  -148.9000 -9.74  -5.43  -1.26  -2.34  
1 1 1 26 10 7  o 13.277  0.6410 6.0264  -108.7000 -17.94 7.24   -5.26  5.61   
1 1 1 26 10 8  o 12.741  0.3902 1.1864  -168.7000 -3.03  4.62   0.79   1.49   
1 1 1 26 10 9  o 11.495  0.1453 10.343  -85.5000  0.53   0.11   -0.24  -0.02  
1 1 1 26 10 10 o 38.839  0.1945 34.466  -125.1000 -0.01  -0.43  0.06   -0.06  
1 1 1 26 10 11 f 7.8372  0.2031 6.9702  -15.3000  1.26   -0.45  -0.76  1.03   
1 1 1 26 10 12 o 16.722  0.3215 9.2924  -116.0000 -0.81  -3.08  0.66   -0.57  
1 1 1 26 10 13 o 36.312  0.2867 37.747  102.000   -3.07  0.59   -0.99  -0.17  
1 1 1 26 10 14 o 32.805  0.1953 36.619  -31.9000  0.51   -0.02  0.24   0.01   
1 1 1 26 10 15 o 18.553  0.1771 20.107  -70.0000  0.50   0.10   -0.14  0.33   
1 1 1 26 10 16 o 6.7866  0.2583 5.3588  -12.0000  0.27   0.50   -0.04  -0.28  
1 1 1 26 10 17 o 29.838  0.1794 29.157  -57.9000  2.05   -1.98  -0.55  -3.03  
1 1 1 26 10 18 o 5.1841  0.3677 6.0675  -121.5000 1.20   -0.70  -0.22  0.19   
1 1 1 26 10 19 o 8.3445  0.3555 8.6335  12.600    1.36   0.18   -0.22  0.06   
1 1 1 26 10 20 o 7.2226  0.3099 6.5692  -64.5000  -0.15  -0.59  0.06   0.01   
1 1 1 26 10 21 o 8.9215  0.2549 8.3854  43.300    -0.19  0.51   0.05   -0.02  
1 1 1 26 10 22 o 4.0802  0.5273 3.4218  -159.6000 -0.14  0.41   0.04   -0.03  
1 1 1 26 10 23 o 12.446  0.3901 12.927  -137.3000 -3.26  -1.18  -0.64  0.33   
1 1 1 26 10 24 o 4.6049  0.6205 ?       ?         0.02   0.05   0.00   0.00   
1 1 1 26 10 25 o 9.9997  0.5402 ?       ?         -0.38  1.75   -0.05  -0.11  
1 1 1 26 11 0  o 37.571  0.2695 34.989  180.000   -0.33  0.00   0.00   0.00   
1 1 1 26 11 1  o 25.932  0.2551 12.754  -134.2000 -2.32  -5.54  3.28   -2.35  
1 1 1 26 11 2  o 68.955  0.9083 58.850  160.700   -8.73  -1.67  -1.24  -0.98  
1 1 1 26 11 3  o 17.660  0.3075 10.565  -57.6000  -0.84  -3.67  0.86   -0.53  
1 1 1 26 11 4  o 26.607  0.5178 29.942  93.900    -9.00  3.34   -2.05  1.45   
1 1 1 26 11 5  o 20.898  0.1592 17.442  137.900   -0.56  -1.17  0.32   -1.84  
1 1 1 26 11 6  o 24.185  0.1458 26.342  29.100    1.64   -0.43  -1.03  2.53   
1 1 1 26 11 7  o 7.5217  0.2997 1.7527  140.000   1.97   -1.31  -0.24  0.48   
1 1 1 26 11 8  o 20.352  0.2927 18.549  -41.1000  2.11   -1.08  -0.47  0.42   
1 1 1 26 11 9  o 13.334  0.2732 16.138  61.500    0.45   3.89   1.56   -0.18  
1 1 1 26 11 10 o 19.673  0.1689 18.663  -131.4000 -0.34  -0.07  0.06   0.68   
1 1 1 26 11 11 o 25.765  0.2203 21.452  126.800   -2.90  -0.90  -0.87  -1.20  
1 1 1 26 11 12 o 24.070  0.1537 21.426  -77.6000  -0.06  -0.13  0.03   0.02   
1 1 1 26 11 13 f 35.860  0.1983 36.022  70.700    -0.38  0.76   -0.15  -0.90  
1 1 1 26 11 14 o 36.634  0.3355 36.828  -95.1000  -2.18  -2.14  -0.57  -0.59  
1 1 1 26 11 15 o 20.080  0.1736 19.701  -178.6000 0.13   -1.40  0.27   0.31   
1 1 1 26 11 16 o 7.0989  0.2551 7.3448  -2.4000   -0.08  -0.20  0.10   0.08   
1 1 1 26 11 17 f 2.4318  0.5573 1.0533  -59.6000  -0.19  0.04   -0.05  -0.01  
1 1 1 26 11 18 o 12.083  0.1867 12.291  133.700   -0.17  0.03   0.02   -0.05  
1 1 1 26 11 19 f 17.812  0.1842 15.176  -30.9000  0.64   -1.27  0.03   -0.85  
1 1 1 26 11 20 o 9.1787  0.2515 7.6090  -166.8000 0.39   -0.43  -0.04  -0.32  
1 1 1 26 11 21 o 10.992  0.2918 12.030  92.000    -0.76  1.07   0.20   0.03   
1 1 1 26 11 22 o 6.3600  0.3629 6.4995  -112.5000 -0.38  0.19   0.05   0.03   
1 1 1 26 11 23 o 5.6548  0.4573 5.2199  -46.8000  0.12   0.49   0.02   0.04   
1 1 1 26 11 24 o 7.4228  0.5245 ?       ?         -0.59  0.15   -0.01  -0.03  
1 1 1 26 11 25 o 3.5838  0.9796 ?       ?         -0.19  -0.04  0.00   0.00   
1 1 1 26 11 26 o 6.4099  1.9890 ?       ?         -0.06  1.18   -0.00  0.03   
1 1 1 26 12 0  o 4.8580  0.1881 13.043  -179.9000 0.00   0.00   0.00   0.00   
1 1 1 26 12 1  o 62.269  0.2750 67.298  -15.0000  1.13   0.98   2.06   0.81   
1 1 1 26 12 2  o 35.616  0.3907 36.583  157.300   -0.56  8.86   4.49   -0.37  
1 1 1 26 12 3  o 14.677  0.5225 11.653  -52.8000  -1.62  -7.23  1.22   -0.65  
1 1 1 26 12 4  o 20.916  0.5081 20.673  -24.4000  8.78   -4.21  -1.80  1.93   
1 1 1 26 12 5  o 11.341  0.3048 10.204  -142.9000 -2.31  -2.54  0.21   -1.09  
1 1 1 26 12 6  o 14.243  0.2454 15.421  -32.8000  2.51   -1.73  -0.29  1.34   
1 1 1 26 12 7  o 41.666  0.6883 40.214  30.400    2.40   5.39   0.61   -0.47  
1 1 1 26 12 8  o 45.531  0.2306 48.276  -65.8000  0.28   0.30   -0.10  -0.02  
1 1 1 26 12 9  o 38.811  0.1992 39.352  3.8000    1.30   0.68   -0.68  -0.20  
1 1 1 26 12 10 o 21.101  0.3244 16.861  -59.1000  -4.89  -4.09  -1.31  -3.17  
1 1 1 26 12 11 o 6.2395  0.2436 9.7740  -13.5000  0.17   1.95   0.64   -0.18  
1 1 1 26 12 12 o 11.843  0.1630 10.208  147.400   0.51   1.34   0.64   -0.30  
1 1 1 26 12 13 o 23.345  0.1495 20.631  -116.0000 -1.63  -0.88  -1.07  -0.42  
1 1 1 26 12 14 o 20.466  0.2222 23.313  17.800    -0.09  -0.30  0.01   -0.01  
1 1 1 26 12 15 o 6.3739  0.2689 5.3406  77.400    -0.86  -0.63  -0.01  -0.19  
1 1 1 26 12 16 o 14.794  0.2147 15.163  -4.1000   0.44   -0.15  -0.01  0.04   
1 1 1 26 12 17 o 12.031  0.2813 10.482  -76.3000  -0.44  -2.32  0.43   -0.47  
1 1 1 26 12 18 o 11.090  0.2210 12.604  -48.0000  0.91   0.91   -0.30  -0.33  
1 1 1 26 12 19 o 6.5851  0.3431 6.8182  125.300   0.60   -1.25  0.29   0.10   
1 1 1 26 12 20 o 3.2148  0.5337 1.1299  105.400   -0.08  0.16   0.02   -0.01  
1 1 1 26 12 21 o 11.202  0.2414 12.426  149.400   -0.66  0.88   0.01   -0.51  
1 1 1 26 12 22 o 8.7888  0.2995 8.2217  147.800   -1.47  0.29   0.04   0.32   
1 1 1 26 12 23 f 9.7806  0.2963 10.133  116.200   0.30   0.57   -0.08  0.05   
1 1 1 26 12 24 o 11.754  0.3699 ?       ?         0.25   -0.88  -0.06  -0.00  
1 1 1 26 12 25 o 7.7100  0.8268 ?       ?         0.61   -1.19  0.03   -0.02  
1 1 1 26 12 26 o 4.8938  1.1495 ?       ?         0.28   -0.50  -0.00  -0.01  
1 1 1 26 13 0  o 5.2820  0.1829 1.9165  0.4000    0.07   0.00   0.00   0.00   
1 1 1 26 13 1  o 14.408  0.6466 7.4857  -12.3000  11.96  9.68   -0.64  -3.70  
1 1 1 26 13 2  o 8.0001  0.5779 5.8007  169.900   -18.20 1.97   -6.21  1.51   
1 1 1 26 13 3  o 24.655  0.5498 21.342  -13.7000  7.39   -0.25  -1.36  0.22   
1 1 1 26 13 4  o 55.301  0.5022 54.571  47.400    0.27   2.92   0.38   -0.29  
1 1 1 26 13 5  o 9.6486  0.6193 8.9990  23.200    8.96   2.54   -1.68  -0.95  
1 1 1 26 13 6  o 15.988  0.2019 17.552  38.700    4.70   -0.43  -4.00  1.54   
1 1 1 26 13 7  o 19.121  0.1665 14.699  -87.5000  -0.09  0.28   -0.88  0.33   
1 1 1 26 13 8  o 35.037  0.1920 35.617  -105.2000 -1.05  -0.13  -0.31  0.14   
1 1 1 26 13 9  o 47.742  0.2242 47.672  -122.2000 -0.13  -0.57  -0.27  -0.28  
1 1 1 26 13 10 f 27.315  0.2442 24.919  1.2000    0.54   2.92   1.07   -1.12  
1 1 1 26 13 11 o 13.580  0.5971 10.892  149.000   -12.18 0.10   -2.97  0.23   
1 1 1 26 13 12 o 22.425  0.1617 21.097  -122.9000 -0.03  0.07   0.01   -0.01  
1 1 1 26 13 13 o 19.612  0.1840 21.396  115.900   -2.17  1.29   -0.12  1.20   
1 1 1 26 13 14 o 14.815  0.3449 14.587  -105.9000 -4.09  -4.27  -0.49  -2.34  
1 1 1 26 13 15 o 16.456  0.1561 15.025  77.500    -0.45  0.04   0.04   0.27   
1 1 1 26 13 16 o 27.842  0.1739 27.390  14.800    -0.06  0.67   -0.18  -0.01  
1 1 1 26 13 17 o 13.929  0.1909 12.714  -45.8000  0.04   0.69   -0.04  -0.32  
1 1 1 26 13 18 o 8.0491  0.9667 8.1352  -164.4000 -9.13  -1.25  -1.15  -0.16  
1 1 1 26 13 19 o 11.649  0.2048 12.838  -102.5000 -0.78  0.36   -0.17  -0.04  
1 1 1 26 13 20 o 13.647  0.1935 13.423  85.400    0.42   -0.16  0.05   -0.10  
1 1 1 26 13 21 o 5.3486  0.3874 3.2998  -160.0000 0.80   0.44   -0.23  0.04   
1 1 1 26 13 22 o 12.607  0.2974 12.591  110.700   0.69   1.59   -0.21  -0.24  
1 1 1 26 13 23 o 6.7998  0.3908 7.3094  87.100    -0.19  0.63   0.03   -0.06  
1 1 1 26 13 24 o 3.2577  0.8763 ?       ?         0.14   -0.31  -0.00  -0.02  
1 1 1 26 13 25 o 7.8853  1.0109 ?       ?         -0.43  0.19   0.00   0.00   
1 1 1 26 13 26 o 6.4156  1.1760 ?       ?         0.28   0.28   0.00   0.00   
1 1 1 26 14 0  o 8.0062  0.1592 7.1043  0.1000    0.08   0.00   0.00   0.00   
1 1 1 26 14 1  o 26.386  0.1509 22.286  -95.0000  0.09   0.12   -0.03  -0.04  
1 1 1 26 14 2  o 17.305  0.3027 17.918  -51.9000  8.01   -0.57  -4.71  0.19   
1 1 1 26 14 3  o 47.165  0.2269 49.076  31.400    1.59   -1.29  0.89   1.28   
1 1 1 26 14 4  o 32.991  0.1709 23.748  158.000   -2.47  0.44   -1.39  2.20   
1 1 1 26 14 5  o 14.450  0.5489 14.537  -28.1000  -5.65  -10.76 2.21   -3.74  
1 1 1 26 14 6  o 14.073  0.1204 19.981  124.800   -0.97  -0.06  -0.64  0.12   
1 1 1 26 14 7  o 14.428  0.1177 16.901  134.100   -0.40  -0.10  0.33   -1.33  
1 1 1 26 14 8  f 28.186  0.1636 37.144  94.000    -0.92  -0.08  -0.19  -0.12  
1 1 1 26 14 9  o 15.852  0.1597 15.151  -92.9000  0.52   -0.21  -0.14  0.07   
1 1 1 26 14 10 o 16.997  0.1736 14.348  -101.9000 -0.48  0.60   -0.99  0.99   
1 1 1 26 14 11 o 5.3969  0.5201 1.0046  -113.8000 -0.24  1.19   0.06   0.03   
1 1 1 26 14 12 o 16.146  0.2808 15.129  -3.1000   3.41   1.10   -1.02  -0.45  
1 1 1 26 14 13 o 17.711  0.1518 18.831  172.600   -0.82  -1.25  0.45   -0.41  
1 1 1 26 14 14 o 11.956  0.1613 11.599  -160.5000 -0.27  0.00   -0.06  0.11   
1 1 1 26 14 15 o 20.803  0.1516 24.348  -137.5000 -0.74  -0.36  -0.41  0.72   
1 1 1 26 14 16 o 5.9709  0.2880 6.2631  -4.9000   0.69   -0.23  -0.15  0.02   
1 1 1 26 14 17 o 13.390  0.1946 13.123  -56.2000  -0.25  0.40   -0.14  -0.28  
1 1 1 26 14 18 o 8.5736  0.2582 7.9148  -150.7000 -0.09  -0.29  0.04   0.01   
1 1 1 26 14 19 o 10.806  0.3305 11.034  -118.5000 0.49   -1.59  0.08   0.26   
1 1 1 26 14 20 o 19.030  0.2313 17.916  174.700   -0.48  -0.29  0.02   -0.02  
1 1 1 26 14 21 o 9.5482  0.2615 9.3330  -68.1000  -0.14  0.21   -0.01  0.01   
1 1 1 26 14 22 o 6.8065  0.4010 7.3143  86.400    -0.19  -0.37  -0.05  0.02   
1 1 1 26 14 23 o 3.5826  0.7535 2.4711  129.100   0.02   0.07   -0.00  -0.00  
1 1 1 26 14 24 o 6.0433  0.5358 ?       ?         0.31   -0.14  0.00   -0.01  
1 1 1 26 14 25 o 8.8674  0.5891 ?       ?         0.14   -1.11  -0.02  -0.03  
1 1 1 26 14 26 o 6.3545  1.1150 ?       ?         0.14   -0.60  -0.00  0.00   
1 1 1 26 15 0  o 29.230  0.2527 33.738  179.900   -0.08  0.00   0.00   0.00   
1 1 1 26 15 1  o 14.012  0.2411 17.767  -36.8000  -1.95  0.88   -0.36  0.34   
1 1 1 26 15 2  o 11.345  0.3008 25.358  -177.0000 -4.00  -2.71  -0.90  -1.77  
1 1 1 26 15 3  o 16.322  1.0336 14.361  51.500    19.96  6.37   -2.91  -1.90  
1 1 1 26 15 4  f 25.654  0.1903 7.3976  40.800    1.98   -0.12  -1.00  -0.28  
1 1 1 26 15 5  o 23.283  0.1638 19.907  107.300   0.96   -0.65  -0.49  0.43   
1 1 1 26 15 6  o 25.532  0.5653 25.338  52.800    -0.51  8.90   1.95   0.02   
1 1 1 26 15 7  o 5.5877  0.1763 9.4145  -59.8000  1.72   1.41   -0.15  -1.72  
1 1 1 26 15 8  o 13.892  0.1346 13.575  116.200   -0.69  0.26   -1.03  0.22   
1 1 1 26 15 9  o 25.590  0.1426 20.058  108.400   0.19   1.31   0.55   -0.86  
1 1 1 26 15 10 o 10.009  0.1475 7.5425  -141.5000 -0.34  -0.13  -0.06  -0.09  
1 1 1 26 15 11 o 24.911  0.6302 20.378  152.100   -8.13  0.07   -1.50  0.28   
1 1 1 26 15 12 o 7.1471  0.3394 10.601  169.500   -1.99  -1.14  -0.19  -0.42  
1 1 1 26 15 13 o 18.704  0.1655 16.008  -160.3000 0.18   -0.36  -0.07  0.12   
1 1 1 26 15 14 o 11.059  0.2353 9.3847  141.600   -0.13  -0.56  0.05   -0.01  
1 1 1 26 15 15 o 9.4901  0.2189 9.9400  60.300    1.70   -0.31  -0.41  0.39   
1 1 1 26 15 16 o 16.973  0.1647 15.532  -120.4000 -0.13  -0.53  0.09   0.09   
1 1 1 26 15 17 o 8.3898  0.2201 11.020  -178.2000 -0.90  -0.07  -0.31  0.23   
1 1 1 26 15 18 o 18.297  0.1653 18.852  52.300    0.02   0.54   -0.15  0.14   
1 1 1 26 15 19 o 4.4469  0.4057 2.8451  -64.8000  0.06   0.48   0.02   -0.02  
1 1 1 26 15 20 o 6.2074  0.3343 6.4052  -101.8000 0.52   0.12   -0.01  -0.07  
1 1 1 26 15 21 o 3.9575  0.4654 3.9892  -116.3000 0.13   0.42   -0.06  0.14   
1 1 1 26 15 22 f 8.5637  0.3141 10.002  47.100    0.82   0.56   0.20   -0.02  
1 1 1 26 15 23 o 5.5718  0.5164 ?       ?         -0.63  0.26   0.05   -0.06  
1 1 1 26 15 24 o 3.5206  0.8736 ?       ?         -0.08  0.32   -0.01  -0.01  
1 1 1 26 15 25 o 3.1168  1.4931 ?       ?         -0.39  0.17   -0.00  -0.02  
1 1 1 26 15 26 o 6.5101  1.6680 ?       ?         -0.42  -0.22  -0.00  0.00   
1 1 1 26 16 0  o 35.111  0.2965 36.425  -180.0000 -0.21  0.00   0.00   0.00   
1 1 1 26 16 1  o 19.669  0.3307 29.984  -12.0000  1.70   0.69   -0.25  -0.17  
1 1 1 26 16 2  o 37.183  0.2034 37.888  50.000    2.26   0.25   -0.86  -0.98  
1 1 1 26 16 3  o 19.164  0.1425 13.256  112.500   0.97   -0.57  -0.46  0.37   
1 1 1 26 16 4  o 41.988  0.2008 40.600  134.700   -0.33  0.92   0.04   0.28   
1 1 1 26 16 5  o 31.147  0.2024 34.815  69.900    -1.19  0.50   -0.12  0.36   
1 1 1 26 16 6  o 10.934  0.2442 9.9457  124.500   0.22   0.80   0.10   -0.04  
1 1 1 26 16 7  f 25.295  0.4039 26.674  15.100    3.02   1.91   -0.49  -0.64  
1 1 1 26 16 8  o 34.534  0.2251 28.534  -81.1000  0.34   -1.46  0.40   -0.00  
1 1 1 26 16 9  o 9.0539  0.5941 11.236  84.100    2.52   5.88   0.72   -0.68  
1 1 1 26 16 10 o 16.515  0.8023 17.899  99.400    2.86   16.63  2.92   -1.23  
1 1 1 26 16 11 o 31.036  0.6152 26.755  131.100   -6.22  7.10   -0.14  2.04   
1 1 1 26 16 12 o 18.003  0.3152 16.646  -2.7000   1.30   -0.66  -0.12  0.10   
1 1 1 26 16 13 o 24.359  0.3546 23.549  128.900   -1.64  2.23   -0.05  0.52   
1 1 1 26 16 14 o 24.877  0.1872 23.130  94.200    -0.87  1.14   0.31   0.17   
1 1 1 26 16 15 o 14.735  0.2005 15.045  -170.8000 -1.51  1.65   0.63   0.76   
1 1 1 26 16 16 o 15.150  0.1950 14.422  -115.4000 -0.82  -0.95  0.24   -0.19  
1 1 1 26 16 17 o 10.383  0.1942 8.5858  -137.8000 -0.35  0.20   0.13   -0.38  
1 1 1 26 16 18 o 8.6112  0.2534 5.9115  -70.3000  -0.09  -1.15  0.16   -0.46  
1 1 1 26 16 19 o 9.6557  0.3090 8.9453  116.300   -0.72  -0.11  -0.06  0.03   
1 1 1 26 16 20 o 7.8697  0.4222 8.7453  74.100    -0.22  1.65   0.13   0.21   
1 1 1 26 16 21 o 4.6263  0.4948 3.0856  -164.0000 -0.59  -0.28  -0.05  -0.00  
1 1 1 26 16 22 o 5.9670  0.4413 5.6467  -114.4000 -0.19  -0.00  0.01   -0.01  
1 1 1 26 16 23 o 2.7015  0.9169 ?       ?         -0.12  0.46   -0.02  0.04   
1 1 1 26 16 24 o 3.8009  0.7853 ?       ?         -0.38  0.00   0.01   0.01   
1 1 1 26 16 25 o 4.9648  1.4033 ?       ?         0.01   -0.63  -0.01  -0.02  
1 1 1 26 16 26 o 3.8143  1.5613 ?       ?         0.04   -0.04  0.00   -0.00  
1 1 1 26 17 0  o 16.739  0.2065 12.243  -0.2000   -0.07  0.00   0.00   0.00   
1 1 1 26 17 1  o 12.583  0.1290 17.547  -129.4000 -0.56  0.45   0.90   1.66   
1 1 1 26 17 2  f 17.695  0.2345 20.537  20.400    -2.94  1.13   -0.98  1.38   
1 1 1 26 17 3  o 12.103  0.1305 11.876  -30.8000  -0.03  -1.31  0.87   0.17   
1 1 1 26 17 4  o 31.563  0.1548 37.155  95.600    0.06   0.28   -0.32  -0.14  
1 1 1 26 17 5  o 18.332  0.3950 26.636  70.500    1.34   1.14   -0.03  -0.13  
1 1 1 26 17 6  o 29.020  0.4317 27.971  -94.5000  -6.93  -4.02  -2.30  -2.50  
1 1 1 26 17 7  o 37.654  0.1834 36.173  108.400   0.05   0.92   0.27   -0.64  
1 1 1 26 17 8  o 40.486  0.2604 42.959  -50.6000  0.46   0.87   -0.02  -0.15  
1 1 1 26 17 9  o 23.713  0.1553 28.298  -3.0000   0.42   -0.04  0.32   0.60   
1 1 1 26 17 10 o 22.954  0.1639 21.574  134.900   -1.13  0.14   -0.37  -0.11  
1 1 1 26 17 11 o 17.130  0.1640 16.765  -15.2000  0.89   0.25   4.63   2.48   
1 1 1 26 17 12 o 25.775  0.1730 27.080  29.400    0.59   0.81   0.15   -0.13  
1 1 1 26 17 13 f 26.837  0.1725 30.583  -134.8000 -0.31  -0.09  0.05   -0.06  
1 1 1 26 17 14 f 15.026  0.1644 14.178  52.500    -0.03  0.11   0.01   -0.02  
1 1 1 26 17 15 o 15.669  0.1591 13.603  -153.4000 -0.72  -0.06  0.60   0.22   
1 1 1 26 17 16 o 15.904  0.1603 15.425  -19.3000  0.79   0.72   0.58   -0.17  
1 1 1 26 17 17 o 14.316  0.4220 16.859  -167.6000 -0.80  1.10   -0.00  0.08   
1 1 1 26 17 18 o 9.7004  0.7890 11.077  129.600   -2.74  2.39   -0.11  0.26   
1 1 1 26 17 19 o 5.4133  0.3423 6.3928  170.800   0.41   -0.27  -0.09  0.01   
1 1 1 26 17 20 o 5.8727  0.9960 4.1433  -122.7000 -1.34  -4.08  0.44   -0.15  
1 1 1 26 17 21 o 8.3335  0.2949 8.3471  -2.5000   0.37   0.63   0.09   0.07   
1 1 1 26 17 22 o 12.819  0.5379 13.128  -54.3000  -2.71  -1.23  -0.29  0.02   
1 1 1 26 17 23 o 5.0807  0.5975 ?       ?         -0.09  -0.12  0.00   0.00   
1 1 1 26 17 24 o 4.3473  0.7807 ?       ?         0.06   -0.19  -0.00  -0.00  
1 1 1 26 17 25 o 4.3902  2.0270 ?       ?         0.10   0.12   -0.00  -0.00  
1 1 1 26 17 26 o 2.7828  1.4184 ?       ?         -0.08  -0.79  -0.02  0.03   
1 1 1 26 18 0  o 34.640  0.2806 23.083  -179.9000 0.21   0.00   0.00   0.00   
1 1 1 26 18 1  o 25.667  0.1640 25.243  -73.2000  0.29   0.02   0.12   -0.34  
1 1 1 26 18 2  o 32.600  0.6499 30.294  -46.9000  2.32   -7.14  1.08   0.56   
1 1 1 26 18 3  o 25.760  0.2748 23.347  -8.8000   0.05   -0.65  0.04   -0.00  
1 1 1 26 18 4  o 16.130  0.3955 16.030  -154.7000 -7.79  -2.26  -2.37  -1.84  
1 1 1 26 18 5  o 7.3991  0.4744 2.7395  -75.7000  1.94   -7.31  1.87   1.18   
1 1 1 26 18 6  o 41.440  0.3018 39.781  149.800   -0.81  1.12   0.18   0.15   
1 1 1 26 18 7  o 22.037  0.2953 20.587  -179.6000 -0.52  4.12   1.25   0.12   
1 1 1 26 18 8  f 31.965  0.1676 30.254  -155.5000 -0.19  -0.41  -0.47  0.09   
1 1 1 26 18 9  o 28.348  0.1890 27.714  -164.7000 -2.25  -0.29  -0.83  -0.76  
1 1 1 26 18 10 o 14.519  0.2764 16.781  77.700    1.86   3.80   0.80   -1.56  
1 1 1 26 18 11 f 19.689  0.1484 18.329  -108.7000 -0.43  -0.22  -0.42  0.18   
1 1 1 26 18 12 o 6.5482  0.2302 4.7846  40.800    1.31   1.43   0.18   -0.68  
1 1 1 26 18 13 o 23.016  0.1584 25.492  32.600    0.71   0.01   0.79   0.24   
1 1 1 26 18 14 o 7.7452  0.3506 8.4632  0.6000    2.67   0.83   -0.44  -0.46  
1 1 1 26 18 15 o 19.301  0.2434 18.639  -156.8000 -2.14  2.60   -1.04  1.20   
1 1 1 26 18 16 o 16.916  0.1642 17.879  -120.0000 -0.03  -0.59  -0.28  -0.12  
1 1 1 26 18 17 o 5.8181  0.3087 5.2146  -79.4000  1.68   -0.55  -0.72  0.07   
1 1 1 26 18 18 o 5.4201  0.3357 6.5730  -56.2000  0.09   -0.12  0.03   -0.03  
1 1 1 26 18 19 o 7.7380  0.2793 8.0379  22.700    0.18   0.18   -0.01  -0.01  
1 1 1 26 18 20 o 5.5401  0.3822 5.0721  -162.8000 -0.94  0.31   0.07   0.24   
1 1 1 26 18 21 o 5.7455  0.4096 5.2029  50.400    -0.06  0.03   0.00   -0.00  
1 1 1 26 18 22 o 4.7787  1.4638 4.4094  161.300   0.27   0.14   -0.00  -0.00  
1 1 1 26 18 23 o 10.040  0.4101 ?       ?         -0.72  -0.77  -0.01  0.09   
1 1 1 26 18 24 o 4.5040  0.6746 ?       ?         -0.32  -0.29  0.01   0.02   
1 1 1 26 18 25 f 10.509  0.6612 ?       ?         -0.14  1.94   0.00   -0.03  
1 1 1 26 18 26 o 5.6144  1.3326 ?       ?         0.86   0.03   0.01   0.00   
1 1 1 26 19 0  o 5.7619  0.2092 11.151  179.900   -0.02  0.00   0.00   0.00   
1 1 1 26 19 1  o 7.7166  0.5813 2.7589  -139.0000 8.03   -15.05 3.05   4.85   
1 1 1 26 19 2  o 17.522  0.5454 24.950  101.500   8.84   5.36   -1.31  -2.13  
1 1 1 26 19 3  o 28.242  0.3770 31.616  56.300    3.23   3.17   0.25   -1.26  
1 1 1 26 19 4  o 21.071  0.6156 23.421  -178.3000 -10.94 -5.27  -1.76  -2.72  
1 1 1 26 19 5  o 24.427  0.1473 17.737  68.400    0.66   0.41   -1.62  0.73   
1 1 1 26 19 6  o 15.588  0.1312 14.834  120.100   -0.18  0.02   -0.10  -0.07  
1 1 1 26 19 7  o 17.888  0.5267 15.194  1.0000    5.17   4.03   -0.49  -1.26  
1 1 1 26 19 8  o 7.6519  0.1731 4.7187  130.600   0.16   -0.09  0.15   -1.42  
1 1 1 26 19 9  o 20.453  0.1777 12.683  -58.9000  2.55   0.95   -0.82  -1.45  
1 1 1 26 19 10 o 15.900  0.5550 15.057  8.9000    5.85   3.31   -0.44  -0.93  
1 1 1 26 19 11 o 17.356  0.1671 18.693  -8.9000   0.65   1.79   0.41   -1.04  
1 1 1 26 19 12 o 10.384  0.2853 8.6869  116.400   -0.67  -0.48  -0.01  -0.07  
1 1 1 26 19 13 o 15.309  0.1528 17.314  70.800    0.21   0.20   -0.09  0.29   
1 1 1 26 19 14 o 22.575  0.3723 23.228  26.500    0.79   0.61   0.01   -0.05  
1 1 1 26 19 15 o 14.119  0.1739 10.630  28.600    0.09   0.39   -0.10  -0.10  
1 1 1 26 19 16 o 1.8784  0.6730 0.6750  114.500   0.08   0.04   0.00   -0.01  
1 1 1 26 19 17 f 9.9165  0.2120 9.3255  12.300    -0.62  0.17   -0.10  -0.02  
1 1 1 26 19 18 o 13.342  0.1862 12.476  -142.0000 0.28   0.49   -0.15  -0.01  
1 1 1 26 19 19 o 9.4105  0.2458 8.7909  63.900    1.35   -0.05  -0.15  -0.53  
1 1 1 26 19 20 f 6.0926  0.3509 5.8378  -130.4000 -0.25  0.03   0.03   0.02   
1 1 1 26 19 21 o 10.339  0.3960 9.8906  -95.5000  0.82   -3.01  -0.14  0.75   
1 1 1 26 19 22 o 5.0472  0.4972 6.0023  37.000    -1.05  -0.38  -0.04  0.26   
1 1 1 26 19 23 o 9.5508  0.3943 ?       ?         0.39   -0.56  -0.00  -0.04  
1 1 1 26 19 24 o 14.072  0.3291 ?       ?         -0.95  0.85   -0.01  -0.04  
1 1 1 26 19 25 f 7.0126  1.0563 ?       ?         -1.20  -0.18  -0.00  0.02   
1 1 1 26 20 0  o 11.958  0.2738 2.5720  179.400   0.02   0.00   0.00   0.00   
1 1 1 26 20 1  o 6.8381  0.2006 15.393  -168.6000 1.17   -1.06  0.02   0.64   
1 1 1 26 20 2  o 12.983  0.6121 14.096  122.600   -12.80 -9.58  -1.27  -5.66  
1 1 1 26 20 3  o 11.448  0.1127 7.2768  -42.4000  -1.04  0.25   -0.98  1.27   
1 1 1 26 20 4  o 12.775  0.1000 17.865  0.7000    -0.13  0.26   0.80   -1.27  
1 1 1 26 20 5  o 7.9021  0.3440 8.9699  164.700   -6.01  -5.97  0.15   -3.59  
1 1 1 26 20 6  o 24.650  0.2593 17.765  -49.1000  0.40   -3.37  1.11   0.03   
1 1 1 26 20 7  o 5.8459  0.2064 1.4323  111.700   -0.81  0.54   -0.06  0.21   
1 1 1 26 20 8  o 12.387  0.1253 14.453  -155.8000 0.03   -0.33  0.31   -0.20  
1 1 1 26 20 9  o 8.7039  0.3813 3.1478  -12.8000  1.66   3.50   0.47   -0.70  
1 1 1 26 20 10 o 9.8497  0.1980 12.759  -73.3000  1.14   0.72   -0.07  -0.66  
1 1 1 26 20 11 o 7.0149  0.1995 9.4534  -147.8000 -0.28  -0.41  0.34   -0.27  
1 1 1 26 20 12 o 22.759  0.1441 21.514  -8.4000   0.33   0.02   0.21   -0.05  
1 1 1 26 20 13 o 6.1970  0.4240 4.9937  -165.9000 -3.50  -0.69  -0.78  -0.18  
1 1 1 26 20 14 o 9.6666  0.2015 8.0237  129.600   -0.47  0.55   0.50   0.18   
1 1 1 26 20 15 o 17.106  0.1664 17.382  21.300    -0.19  1.28   0.08   0.45   
1 1 1 26 20 16 o 4.5654  0.3516 1.3226  148.800   0.03   -0.14  0.00   0.00   
1 1 1 26 20 17 o 11.046  0.2639 11.244  -33.0000  0.12   -2.24  0.56   -0.27  
1 1 1 26 20 18 o 11.755  0.2059 10.822  -90.2000  0.03   0.41   0.02   0.05   
1 1 1 26 20 19 o 3.8212  0.9854 2.0774  76.300    0.65   0.16   -0.02  -0.00  
1 1 1 26 20 20 o 8.1970  0.2737 8.2155  85.400    -0.94  0.10   0.01   0.17   
1 1 1 26 20 21 f 7.4404  0.3779 6.6581  86.700    0.12   0.57   -0.06  -0.04  
1 1 1 26 20 22 o 3.2472  0.6564 4.0716  112.100   -0.26  0.15   0.01   0.01   
1 1 1 26 20 23 o 8.9229  0.4415 ?       ?         -2.08  0.01   0.18   -0.10  
1 1 1 26 20 24 o 3.5124  0.9728 ?       ?         0.11   0.31   -0.00  0.01   
1 1 1 26 20 25 o 2.2827  1.4851 ?       ?         -0.13  0.10   -0.00  -0.00  
1 1 1 26 21 0  o 21.081  0.2716 28.081  0.0000    0.11   0.00   0.00   0.00   
1 1 1 26 21 1  f 28.919  0.5819 25.738  117.800   -1.52  4.47   0.75   0.34   
1 1 1 26 21 2  o 9.8901  0.3092 8.3499  -120.0000 -0.19  0.56   0.03   0.02   
1 1 1 26 21 3  o 15.884  0.2494 15.252  -66.8000  -2.75  -0.76  -1.11  -0.38  
1 1 1 26 21 4  o 10.004  0.4503 6.4741  -130.6000 -9.45  -6.54  -1.13  -3.44  
1 1 1 26 21 5  o 19.657  0.3066 15.504  44.600    4.11   -1.99  -0.64  1.07   
1 1 1 26 21 6  o 17.808  0.1269 12.121  161.400   -0.53  0.25   -1.04  -0.42  
1 1 1 26 21 7  o 10.300  0.1550 5.6395  121.300   -2.62  1.26   -5.88  3.61   
1 1 1 26 21 8  o 6.5566  0.1959 6.3181  -168.7000 -0.68  -0.89  0.04   -0.27  
1 1 1 26 21 9  o 12.343  0.1315 7.7987  -167.3000 0.25   -0.66  0.28   0.10   
1 1 1 26 21 10 o 21.867  0.1879 24.171  55.700    2.93   -0.44  -1.17  1.05   
1 1 1 26 21 11 o 11.687  0.1445 14.378  -152.9000 -0.33  -0.41  0.84   0.06   
1 1 1 26 21 12 o 12.216  0.1847 10.847  89.900    0.27   -0.49  -0.10  0.28   
1 1 1 26 21 13 o 24.818  0.1940 22.717  -32.5000  0.37   -0.03  0.11   -0.01  
1 1 1 26 21 14 o 13.068  0.1704 16.384  -87.9000  -0.28  -0.52  -0.45  0.16   
1 1 1 26 21 15 o 19.380  0.3994 17.638  -11.5000  2.02   -2.76  -0.10  0.54   
1 1 1 26 21 16 o 8.3656  0.2365 7.4187  -61.3000  -0.03  -0.13  -0.01  0.04   
1 1 1 26 21 17 o 6.4471  0.5496 7.1448  112.800   0.82   1.12   -0.01  -0.12  
1 1 1 26 21 18 o 6.8697  0.3049 8.1960  -117.0000 0.45   -0.26  -0.12  -0.15  
1 1 1 26 21 19 o 10.513  0.2341 10.297  -53.7000  0.77   0.02   0.21   0.10   
1 1 1 26 21 20 o 9.7474  0.2831 9.4642  75.600    -0.45  -0.61  -0.05  -0.04  
1 1 1 26 21 21 o 7.3481  0.3515 8.5555  -18.3000  -0.46  0.04   0.06   -0.01  
1 1 1 26 21 22 f 2.4399  1.1514 ?       ?         0.24   0.39   -0.04  -0.03  
1 1 1 26 21 23 o 3.1580  0.8376 ?       ?         0.18   -0.48  0.01   -0.04  
1 1 1 26 21 24 o 3.5927  0.8763 ?       ?         -0.16  0.00   0.00   0.00   
1 1 1 26 21 25 o 6.2803  2.7121 ?       ?         -0.25  -0.01  -0.00  0.00   
1 1 1 26 22 0  o 32.729  0.3940 35.061  -180.0000 0.05   0.00   0.00   0.00   
1 1 1 26 22 1  o 25.064  0.3439 19.931  167.300   -0.66  0.98   0.11   0.11   
1 1 1 26 22 2  o 23.142  0.5103 22.405  112.400   -6.42  3.82   -0.69  1.98   
1 1 1 26 22 3  o 26.514  0.1983 22.782  39.000    1.75   0.31   -1.95  0.89   
1 1 1 26 22 4  o 19.002  0.3291 18.276  15.000    7.34   2.73   -2.18  -2.39  
1 1 1 26 22 5  f 12.349  0.1034 9.4136  -2.9000   0.54   0.68   1.02   -0.92  
1 1 1 26 22 6  o 9.0325  0.2802 11.296  -146.3000 1.09   -1.62  0.17   0.32   
1 1 1 26 22 7  o 17.036  0.1651 16.436  -115.7000 -2.82  0.61   -1.50  1.31   
1 1 1 26 22 8  o 30.236  0.3828 27.663  62.100    0.57   3.86   0.68   -0.49  
1 1 1 26 22 9  o 12.070  0.1642 8.1234  -49.0000  0.16   0.18   -0.11  -0.09  
1 1 1 26 22 10 f 11.028  0.1976 7.5712  63.600    -0.03  0.50   -0.04  1.10   
1 1 1 26 22 11 o 7.6137  0.1915 5.3876  -95.6000  -0.56  0.05   -0.24  -0.09  
1 1 1 26 22 12 o 12.011  0.3658 13.621  97.800    -2.46  2.13   -0.19  0.55   
1 1 1 26 22 13 o 10.042  0.4197 7.3965  -56.4000  2.55   -3.62  0.10   1.01   
1 1 1 26 22 14 f 2.3046  0.5661 1.6071  -128.7000 0.09   0.01   -0.01  -0.01  
1 1 1 26 22 15 o 11.939  0.5375 12.236  136.000   -3.05  3.49   -0.10  0.64   
1 1 1 26 22 16 o 5.0550  0.3388 4.7432  137.200   -0.09  -0.21  0.06   0.05   
1 1 1 26 22 17 o 1.5592  0.7443 1.1772  -111.9000 -0.01  0.05   0.00   0.00   
1 1 1 26 22 18 o 19.399  0.1847 19.038  87.100    -0.49  0.21   0.02   -0.06  
1 1 1 26 22 19 f 11.209  0.2201 11.650  152.400   -0.78  0.51   0.14   -0.31  
1 1 1 26 22 20 o 9.6785  0.3350 10.721  -0.0000   0.87   -1.04  0.18   0.01   
1 1 1 26 22 21 o 3.5501  1.5789 3.8758  70.400    0.03   0.10   0.00   0.00   
1 1 1 26 22 22 o 7.6897  0.4232 ?       ?         -1.08  -0.63  0.13   0.03   
1 1 1 26 22 23 o 3.6077  0.8548 ?       ?         0.06   0.15   -0.00  0.00   
1 1 1 26 22 24 o 8.5338  0.5660 ?       ?         0.53   -0.20  0.00   -0.01  
1 1 1 26 22 25 o 1.8575  1.3414 ?       ?         -0.08  -0.20  -0.00  0.00   
1 1 1 26 23 0  o 27.181  0.3218 18.103  -0.1000   0.28   0.00   0.00   0.00   
1 1 1 26 23 1  o 11.509  0.2280 7.1828  -11.2000  1.49   -1.21  0.28   2.18   
1 1 1 26 23 2  o 15.189  0.2763 15.460  -83.9000  0.29   0.27   -0.81  0.13   
1 1 1 26 23 3  o 27.037  0.2988 26.747  7.5000    -2.09  2.17   -0.32  0.99   
1 1 1 26 23 4  f 9.3121  0.6044 6.7510  156.100   -15.54 2.77   -4.44  1.88   
1 1 1 26 23 5  o 36.909  0.2329 34.640  -79.9000  2.64   -0.86  -1.20  0.00   
1 1 1 26 23 6  f 17.140  0.3221 12.884  -79.3000  -0.09  -3.83  0.81   -0.15  
1 1 1 26 23 7  o 8.1356  0.2156 3.6771  -41.7000  1.80   1.09   -0.23  -0.67  
1 1 1 26 23 8  f 15.421  0.2429 13.750  53.000    4.36   -0.07  -2.09  0.64   
1 1 1 26 23 9  o 19.250  0.1822 20.569  -55.5000  -0.07  -1.48  0.38   0.12   
1 1 1 26 23 10 o 12.773  0.1480 10.732  167.700   -0.11  -0.99  0.30   0.08   
1 1 1 26 23 11 o 22.594  0.1482 21.399  -112.9000 -0.43  -0.62  -0.19  -0.19  
1 1 1 26 23 12 o 26.174  0.1629 24.364  142.800   -0.35  0.64   0.18   -0.21  
1 1 1 26 23 13 o 28.823  0.1687 29.936  118.400   -0.89  0.49   -0.20  -0.27  
1 1 1 26 23 14 o 9.6426  0.3566 10.032  -82.3000  0.20   -0.71  0.02   0.03   
1 1 1 26 23 15 o 14.643  0.2708 13.810  -74.8000  0.34   -1.17  0.05   0.15   
1 1 1 26 23 16 f 5.3515  0.3306 2.8568  -22.5000  -0.03  -0.32  0.03   0.13   
1 1 1 26 23 17 o 10.465  0.2110 12.194  16.600    0.09   0.24   0.01   0.03   
1 1 1 26 23 18 o 15.002  0.1933 14.901  -28.2000  0.52   -1.39  0.14   -0.57  
1 1 1 26 23 19 o 6.9561  0.4571 7.8835  87.400    -0.02  -0.64  0.02   0.02   
1 1 1 26 23 20 o 15.688  0.3467 16.006  -20.8000  1.53   -2.34  0.44   -0.15  
1 1 1 26 23 21 o 8.7030  0.5766 8.3812  144.200   -0.72  0.57   -0.03  0.01   
1 1 1 26 23 22 o 4.2634  0.7329 ?       ?         -0.24  -0.20  0.01   0.01   
1 1 1 26 23 23 o 5.2330  0.9528 ?       ?         -0.14  -0.20  0.00   -0.00  
1 1 1 26 23 24 o 5.5582  0.6919 ?       ?         0.30   0.44   0.00   0.01   
1 1 1 26 23 25 o 7.0794  0.8201 ?       ?         0.68   0.31   0.00   0.00   
1 1 1 26 24 0  o 5.6303  0.4203 12.813  -0.2000   -0.06  0.00   0.00   0.00   
1 1 1 26 24 1  o 19.116  0.3485 24.075  83.200    -1.21  2.41   0.23   0.59   
1 1 1 26 24 2  o 7.4405  0.3267 11.431  -90.7000  2.73   0.62   -0.92  -0.64  
1 1 1 26 24 3  o 13.911  0.1555 17.441  -93.3000  0.11   0.73   0.35   0.07   
1 1 1 26 24 4  o 19.736  0.2916 20.038  -29.8000  2.31   -0.04  -0.44  0.12   
1 1 1 26 24 5  o 12.856  0.3222 14.252  -41.3000  6.70   1.61   -2.11  -1.35  
1 1 1 26 24 6  o 26.584  0.1552 27.031  -159.9000 0.10   -1.26  0.32   0.38   
1 1 1 26 24 7  o 19.412  0.1309 16.473  -39.8000  0.24   -0.17  0.01   0.03   
1 1 1 26 24 8  o 17.549  0.2109 17.692  -68.0000  6.16   0.99   -4.22  -3.08  
1 1 1 26 24 9  o 9.8263  0.2015 11.101  -160.4000 -0.74  -1.29  0.11   -0.35  
1 1 1 26 24 10 o 11.119  0.1511 9.9623  -163.4000 -0.46  0.07   -0.25  -0.65  
1 1 1 26 24 11 o 19.061  0.4828 17.918  174.700   -3.10  1.71   -0.25  0.25   
1 1 1 26 24 12 o 25.394  0.4218 24.394  -111.8000 -2.44  -2.45  0.30   -0.44  
1 1 1 26 24 13 o 11.962  0.1885 8.8352  -137.7000 -0.93  0.48   -0.37  -0.01  
1 1 1 26 24 14 o 6.6228  0.2746 4.7761  -21.5000  0.31   0.07   -0.03  0.01   
1 1 1 26 24 15 o 6.8083  0.2530 7.8145  -70.7000  -1.42  0.73   -0.00  0.77   
1 1 1 26 24 16 f 9.2385  0.2194 9.0371  95.500    -0.06  0.62   -0.42  -0.02  
1 1 1 26 24 17 o 23.731  0.1808 23.200  151.800   -0.79  1.20   -0.13  -0.28  
1 1 1 26 24 18 o 10.001  0.2267 11.002  84.900    0.20   1.07   -0.50  0.05   
1 1 1 26 24 19 o 8.8666  0.2580 10.709  -170.3000 -0.72  0.75   0.14   0.04   
1 1 1 26 24 20 o 10.596  0.4113 10.713  -27.3000  0.33   -1.69  0.13   -0.13  
1 1 1 26 24 21 o 7.9342  0.3461 7.8519  -163.1000 -0.56  -0.51  0.07   0.07   
1 1 1 26 24 22 o 7.5785  0.4396 ?       ?         0.52   0.29   0.02   -0.01  
1 1 1 26 24 23 o 4.1720  1.0468 ?       ?         0.60   0.04   0.00   0.02   
1 1 1 26 24 24 f 5.3858  0.6613 ?       ?         0.05   -0.79  -0.01  0.02   
1 1 1 26 24 25 o 1.3989  1.3286 ?       ?         0.50   -0.35  0.01   -0.02  
1 1 1 26 25 0  o 27.970  0.3269 25.472  0.0000    0.47   0.00   0.00   0.00   
1 1 1 26 25 1  o 13.528  0.2090 15.019  147.700   0.13   0.07   0.05   -0.06  
1 1 1 26 25 2  o 34.167  0.2528 31.851  -114.1000 0.20   -1.04  -0.39  0.67   
1 1 1 26 25 3  o 18.873  0.2088 20.975  130.700   -1.72  -0.50  0.83   -5.20  
1 1 1 26 25 4  o 21.205  0.4293 17.696  -84.3000  0.37   -4.21  0.62   0.21   
1 1 1 26 25 5  o 11.443  0.3083 10.323  -126.5000 1.11   -4.28  0.98   0.71   
1 1 1 26 25 6  o 42.016  0.3260 42.226  -37.4000  5.86   2.02   -0.83  -2.91  
1 1 1 26 25 7  o 16.741  0.1886 14.607  86.500    2.79   1.94   -0.01  -2.00  
1 1 1 26 25 8  o 27.051  0.4626 28.149  -133.4000 0.75   -9.23  2.40   1.12   
1 1 1 26 25 9  o 36.004  0.2856 32.916  -175.6000 -1.24  0.72   -0.19  0.03   
1 1 1 26 25 10 o 8.3932  0.1847 12.183  -126.4000 -0.04  -0.45  0.10   0.03   
1 1 1 26 25 11 o 5.3086  0.2600 6.0235  -89.2000  0.26   0.09   0.39   -0.28  
1 1 1 26 25 12 f 5.2765  0.2710 8.3673  -63.1000  0.03   0.24   0.04   0.02   
1 1 1 26 25 13 o 13.546  0.1924 11.002  -157.2000 -2.18  0.07   -0.60  0.64   
1 1 1 26 25 14 f 8.1722  0.3346 7.0617  -45.3000  1.48   0.11   -0.20  0.05   
1 1 1 26 25 15 o 7.3793  0.2636 7.4282  9.2000    0.53   -0.27  -0.01  0.05   
1 1 1 26 25 16 o 19.413  0.2115 19.019  137.900   -0.61  0.85   -0.13  0.07   
1 1 1 26 25 17 o 5.9994  0.3439 5.7238  -5.3000   0.02   0.29   0.00   -0.03  
1 1 1 26 25 18 o 3.9761  0.6221 4.6921  43.300    0.53   0.06   -0.02  0.01   
1 1 1 26 25 19 o 4.3008  0.4786 2.9673  -3.0000   -0.47  -0.06  -0.00  -0.04  
1 1 1 26 25 20 o 13.678  0.2609 13.480  -69.7000  -0.09  -0.63  0.00   0.03   
1 1 1 26 25 21 o 11.173  0.2553 ?       ?         1.64   1.49   0.04   0.43   
1 1 1 26 25 22 o 4.7257  0.6813 ?       ?         -0.01  -0.20  -0.00  0.00   
1 1 1 26 25 23 o 6.3051  0.5954 ?       ?         -0.88  0.69   0.02   -0.04  
1 1 1 26 25 24 o 10.690  0.4581 ?       ?         2.57   -1.58  0.03   -0.10  
1 1 1 26 26 0  o 29.997  0.5515 30.206  179.900   0.05   0.00   0.00   0.00   
1 1 1 26 26 1  o 3.6742  0.6403 4.7760  -89.9000  0.00   0.00   0.00   0.00   
1 1 1 26 26 2  o 9.6073  0.4423 2.7276  179.600   0.17   0.00   0.00   0.00   
1 1 1 26 26 3  o 2.9155  0.8171 2.3412  -91.1000  0.00   0.03   0.00   0.00   
1 1 1 26 26 4  o 12.915  0.1945 10.568  0.1000    0.03   0.00   0.00   0.00   
1 1 1 26 26 5  o 7.7071  0.1899 2.9031  89.900    -0.00  -0.08  0.00   0.00   
1 1 1 26 26 6  o 27.492  0.2344 26.038  180.000   -0.41  0.00   0.00   0.00   
1 1 1 26 26 7  o 24.833  0.2610 25.919  -90.1000  0.00   0.26   0.00   0.00   
1 1 1 26 26 8  o 22.963  0.1965 16.731  0.0000    -0.12  0.00   0.00   0.00   
1 1 1 26 26 9  o 26.441  0.2324 22.827  90.000    0.00   0.03   0.00   0.00   
1 1 1 26 26 10 o 32.235  0.2631 36.653  180.000   -1.19  0.00   0.00   0.00   
1 1 1 26 26 11 o 10.479  0.2379 9.7627  90.100    -0.00  -0.03  0.00   0.00   
1 1 1 26 26 12 o 8.1548  0.3127 7.4124  -0.0000   -0.09  0.00   0.00   0.00   
1 1 1 26 26 13 f 37.303  0.2847 31.901  90.000    0.00   2.09   0.00   0.00   
1 1 1 26 26 14 o 8.9275  0.2979 4.9030  -0.0000   -0.00  0.00   0.00   0.00   
1 1 1 26 26 15 o 7.6942  0.3833 6.3554  -90.0000  -0.00  -0.32  0.00   0.00   
1 1 1 26 26 16 o 10.349  0.3231 9.6715  0.0000    0.52   0.00   0.00   0.00   
1 1 1 26 26 17 o 4.8888  0.5321 4.6941  -90.0000  -0.00  -0.20  0.00   0.00   
1 1 1 26 26 18 o 4.6904  0.5668 5.1009  -180.0000 0.10   0.00   0.00   0.00   
1 1 1 26 26 19 o 0.0000  2.7386 1.4074  -90.0000  0.00   0.03   0.00   0.00   
1 1 1 26 26 20 o 14.707  0.3551 16.666  -180.0000 -0.62  0.00   0.00   0.00   
1 1 1 26 26 21 o 4.0000  1.0337 ?       ?         0.00   0.14   0.00   0.00   
1 1 1 26 26 22 o 0.0000  3.0822 ?       ?         0.10   0.00   0.00   0.00   
1 1 1 26 26 23 o 15.073  0.5130 ?       ?         -0.00  -0.45  0.00   0.00   
1 1 1 26 26 24 o 3.6056  1.0644 ?       ?         0.09   0.00   0.00   0.00   
1 1 1 27 0  1  o 12.422  0.1981 14.784  45.000    0.11   0.11   0.00   0.00   
1 1 1 27 0  2  o 17.108  0.1564 30.044  179.900   -0.06  0.00   0.00   0.00   
1 1 1 27 0  3  o 9.3059  0.1740 0.4526  -39.7000  0.08   -0.08  0.00   0.00   
1 1 1 27 0  4  o 3.9243  0.2844 7.5775  -89.9000  -0.00  -0.00  0.00   0.00   
1 1 1 27 0  5  o 16.670  0.2015 15.990  -135.1000 -0.06  -0.06  0.00   0.00   
1 1 1 27 0  6  o 8.3307  0.2278 5.6468  0.1000    0.09   0.00   0.00   0.00   
1 1 1 27 0  7  o 12.333  0.1719 7.2144  134.800   -0.03  0.03   0.00   0.00   
1 1 1 27 0  8  o 65.272  0.4065 60.313  90.000    0.00   0.92   0.00   0.00   
1 1 1 27 0  9  f 7.2388  0.2727 1.2708  -137.1000 -0.04  -0.04  0.00   0.00   
1 1 1 27 0  10 o 17.106  0.1936 11.510  -179.9000 -0.13  0.00   0.00   0.00   
1 1 1 27 0  11 o 5.6745  0.3402 1.9591  135.300   0.01   -0.01  0.00   0.00   
1 1 1 27 0  12 o 59.493  0.3791 48.403  -90.0000  -0.00  -0.51  0.00   0.00   
1 1 1 27 0  13 o 11.979  0.2092 11.368  45.200    0.02   0.02   0.00   0.00   
1 1 1 27 0  14 o 19.305  0.2858 19.563  -179.9000 -0.38  0.00   0.00   0.00   
1 1 1 27 0  15 o 33.006  0.2511 31.562  135.000   0.23   -0.23  0.00   0.00   
1 1 1 27 0  16 o 21.617  0.2085 22.743  -90.0000  -0.00  -0.31  0.00   0.00   
1 1 1 27 0  17 o 15.862  0.2299 16.765  -135.0000 -0.13  -0.13  0.00   0.00   
1 1 1 27 0  18 o 6.1400  0.4113 2.3741  0.0000    0.18   0.00   0.00   0.00   
1 1 1 27 0  19 o 5.4681  0.5007 6.7154  135.000   -0.13  0.13   0.00   0.00   
1 1 1 27 0  20 o 7.1134  0.4363 4.2466  90.000    -0.00  -0.09  0.00   0.00   
1 1 1 27 0  21 o 8.5440  0.3860 7.4486  -135.0000 0.16   0.16   0.00   0.00   
1 1 1 27 0  22 o 7.7071  0.4179 7.2124  180.000   -0.01  0.00   0.00   0.00   
1 1 1 27 0  23 o 1.4832  1.1051 1.1754  135.000   -0.08  0.08   0.00   0.00   
1 1 1 27 0  24 o 7.3348  0.6775 ?       ?         0.00   0.12   0.00   0.00   
1 1 1 27 0  25 f 6.8702  0.8776 ?       ?         0.07   0.07   0.00   0.00   
1 1 1 27 1  0  o 42.369  0.3256 22.361  -180.0000 -0.53  0.00   0.00   0.00   
1 1 1 27 1  1  f 14.956  0.5213 18.949  -110.5000 -8.34  -3.07  -1.63  -1.28  
1 1 1 27 1  2  o 16.959  0.2167 26.220  -112.8000 -3.10  -1.86  -1.20  -1.74  
1 1 1 27 1  3  o 15.955  0.3550 8.8013  -118.4000 2.94   -3.79  0.44   1.29   
1 1 1 27 1  4  o 44.565  0.2216 33.170  -85.5000  0.02   -0.00  0.00   0.00   
1 1 1 27 1  5  o 32.786  0.1651 26.449  172.900   -0.03  0.35   0.07   0.07   
1 1 1 27 1  6  o 21.090  0.1771 9.7810  -125.1000 -2.31  1.56   -0.30  1.69   
1 1 1 27 1  7  o 22.729  0.9455 11.198  33.500    16.74  -3.47  -2.95  1.53   
1 1 1 27 1  8  o 23.636  0.1388 13.856  -58.0000  1.44   0.69   -0.27  -2.12  
1 1 1 27 1  9  o 19.895  0.5455 24.292  -12.9000  2.90   -4.35  0.44   0.79   
1 1 1 27 1  10 o 42.200  0.6878 48.924  147.000   -12.13 -1.93  -2.69  -1.43  
1 1 1 27 1  11 o 37.188  0.4178 35.958  -122.7000 -2.96  -0.90  -0.60  -0.14  
1 1 1 27 1  12 o 36.246  0.1841 36.113  99.600    0.60   0.83   -0.85  -0.56  
1 1 1 27 1  13 o 15.923  0.1449 13.432  -56.0000  0.36   0.09   -0.04  -0.23  
1 1 1 27 1  14 o 30.913  0.6141 31.208  -107.5000 4.49   -2.98  -0.36  0.51   
1 1 1 27 1  15 o 25.872  0.1567 26.992  -167.1000 -0.52  -0.16  0.11   0.40   
1 1 1 27 1  16 o 8.6145  0.2034 8.2506  58.700    0.23   -0.06  -0.11  -0.06  
1 1 1 27 1  17 o 9.6489  0.2089 11.730  -177.4000 -0.48  -0.51  0.30   -0.17  
1 1 1 27 1  18 o 3.0172  0.5183 3.1733  100.500   0.26   0.09   -0.02  -0.01  
1 1 1 27 1  19 o 11.713  0.2079 11.864  -47.8000  -0.33  0.08   0.07   0.09   
1 1 1 27 1  20 o 6.5422  0.3068 5.9036  -46.8000  0.07   -0.15  -0.01  0.01   
1 1 1 27 1  21 o 8.4809  0.2815 7.8204  101.800   -0.73  0.28   -0.14  -0.10  
1 1 1 27 1  22 o 6.6329  0.5860 4.8018  131.500   0.11   -1.86  0.19   -0.10  
1 1 1 27 1  23 o 8.1153  0.3103 9.2392  -28.2000  1.13   -0.96  0.36   0.10   
1 1 1 27 1  24 o 13.429  0.3123 ?       ?         -0.83  1.05   -0.05  -0.13  
1 1 1 27 1  25 o 6.0455  0.6313 ?       ?         0.75   -0.04  0.03   -0.03  
1 1 1 27 2  0  o 42.860  0.2805 47.859  0.0000    -0.16  0.00   0.00   0.00   
1 1 1 27 2  1  o 22.501  0.1440 18.641  122.600   -2.98  -0.89  -2.52  -2.66  
1 1 1 27 2  2  o 23.094  0.6382 27.183  159.400   -4.35  4.38   -0.03  0.72   
1 1 1 27 2  3  o 15.826  0.1133 21.321  -178.9000 -0.15  0.73   0.28   0.06   
1 1 1 27 2  4  o 47.215  0.3066 55.498  147.500   -1.28  -0.28  -0.21  -0.01  
1 1 1 27 2  5  o 17.300  0.1416 7.0163  -161.0000 -0.16  0.00   -0.08  0.19   
1 1 1 27 2  6  o 29.926  0.9405 30.981  -139.8000 -29.08 6.14   -6.95  3.60   
1 1 1 27 2  7  o 12.614  0.1273 15.400  172.100   -0.99  0.94   0.24   1.12   
1 1 1 27 2  8  o 44.977  0.2300 46.593  -28.3000  0.12   -0.27  0.05   -0.02  
1 1 1 27 2  9  o 18.879  0.3139 12.630  63.700    0.77   0.57   -0.01  -0.09  
1 1 1 27 2  10 o 9.2468  0.2617 11.596  152.300   -0.28  1.58   0.33   0.09   
1 1 1 27 2  11 o 28.481  0.1872 32.821  139.600   0.44   0.88   0.03   -0.26  
1 1 1 27 2  12 o 20.963  0.1947 20.250  -168.3000 -0.36  -2.26  1.12   -0.01  
1 1 1 27 2  13 o 12.643  0.1597 8.6996  79.000    0.59   0.55   0.14   -0.37  
1 1 1 27 2  14 o 41.194  0.2014 40.424  51.400    0.93   1.10   0.16   1.91   
1 1 1 27 2  15 o 31.054  0.1775 28.286  5.0000    1.20   -0.12  0.52   0.83   
1 1 1 27 2  16 o 11.391  0.3442 13.092  -108.1000 -2.36  -2.84  -0.02  -0.88  
1 1 1 27 2  17 o 8.4427  0.2230 9.2314  9.0000    -0.36  -0.01  0.14   -0.30  
1 1 1 27 2  18 o 10.645  0.2420 9.9953  108.800   -1.69  0.25   -0.49  -0.13  
1 1 1 27 2  19 o 4.8051  0.3923 4.9316  47.900    0.04   -0.36  0.04   0.12   
1 1 1 27 2  20 o 4.3214  0.3961 6.0802  63.100    0.02   -0.07  0.00   0.00   
1 1 1 27 2  21 o 6.3400  0.3394 4.1426  -35.6000  0.19   0.05   0.03   -0.00  
1 1 1 27 2  22 o 14.365  0.2041 15.088  170.000   -1.00  0.21   0.27   -0.03  
1 1 1 27 2  23 o 12.102  0.2508 13.011  27.500    1.72   1.08   -0.43  0.15   
1 1 1 27 2  24 o 9.8430  0.4051 ?       ?         0.70   -0.79  0.06   -0.07  
1 1 1 27 2  25 o 6.2914  0.7655 ?       ?         0.30   0.37   -0.01  0.00   
1 1 1 27 3  0  o 24.234  0.2005 23.273  180.000   0.08   0.00   0.00   0.00   
1 1 1 27 3  1  o 52.277  0.5049 47.935  98.800    8.25   4.82   -3.16  -3.30  
1 1 1 27 3  2  o 42.215  0.3738 37.372  -45.3000  -1.13  -4.65  1.18   -1.04  
1 1 1 27 3  3  o 28.687  0.1642 30.722  -88.7000  4.33   -2.09  -5.47  3.70   
1 1 1 27 3  4  o 29.292  0.1940 26.373  41.200    -0.90  0.88   0.09   0.33   
1 1 1 27 3  5  o 31.163  0.2279 32.147  151.400   -2.98  0.20   -1.33  -0.18  
1 1 1 27 3  6  o 16.484  0.1231 15.148  -133.8000 -0.87  0.61   -0.67  0.83   
1 1 1 27 3  7  o 37.305  0.1800 36.080  -21.8000  0.69   -1.46  1.34   0.10   
1 1 1 27 3  8  o 14.929  0.5330 16.530  -65.4000  3.22   -3.91  0.09   0.67   
1 1 1 27 3  9  o 42.914  0.3140 36.583  -70.7000  2.27   -1.06  -0.80  0.25   
1 1 1 27 3  10 o 17.704  0.2344 13.523  -12.0000  1.53   -4.97  2.42   2.24   
1 1 1 27 3  11 o 31.897  0.1898 34.765  176.900   -1.28  -1.34  0.52   -0.72  
1 1 1 27 3  12 o 12.753  0.4418 9.4001  103.300   -2.30  2.94   0.09   0.56   
1 1 1 27 3  13 o 10.803  0.5037 8.2499  112.500   -5.41  3.95   -0.64  1.49   
1 1 1 27 3  14 o 24.149  0.2831 21.178  -3.9000   0.28   -1.12  0.08   0.08   
1 1 1 27 3  15 o 14.665  0.1617 16.158  102.700   -0.08  0.33   -0.09  0.22   
1 1 1 27 3  16 o 6.6948  0.3549 7.1859  -94.1000  -1.09  0.16   -0.11  0.07   
1 1 1 27 3  17 o 14.073  0.2237 14.219  -32.3000  0.26   -1.16  0.11   0.25   
1 1 1 27 3  18 o 20.568  0.1677 18.354  -33.3000  0.59   -0.72  0.28   -0.01  
1 1 1 27 3  19 o 4.3818  0.7124 5.5076  -51.6000  -0.77  -0.21  -0.04  -0.01  
1 1 1 27 3  20 o 7.0795  0.2929 6.1904  -79.9000  -0.33  0.06   0.00   0.05   
1 1 1 27 3  21 o 12.591  0.2036 13.722  -24.2000  -0.61  -0.73  -0.28  0.07   
1 1 1 27 3  22 o 6.6099  0.3535 7.7039  -28.8000  0.27   -1.00  0.18   -0.22  
1 1 1 27 3  23 o 12.492  0.2345 12.373  -158.3000 0.23   -0.86  -0.18  -0.05  
1 1 1 27 3  24 f 4.6684  0.6601 ?       ?         0.24   -0.09  0.01   0.00   
1 1 1 27 3  25 o 5.3458  0.9585 ?       ?         -0.46  0.59   -0.03  -0.01  
1 1 1 27 4  0  o 24.174  0.1868 28.209  -179.9000 0.01   0.00   0.00   0.00   
1 1 1 27 4  1  o 22.296  0.9428 25.891  125.500   -21.50 17.99  -0.97  6.76   
1 1 1 27 4  2  o 42.553  0.2040 43.912  -140.9000 -1.22  0.61   0.21   1.20   
1 1 1 27 4  3  o 27.967  0.1763 24.726  -76.3000  -0.28  0.19   -0.59  -0.29  
1 1 1 27 4  4  o 16.197  0.4403 11.354  130.600   -12.16 2.72   -5.17  2.08   
1 1 1 27 4  5  o 25.096  0.1365 29.009  140.000   -0.94  0.39   -0.62  0.23   
1 1 1 27 4  6  f 9.9838  0.2059 14.765  156.300   1.78   2.59   0.80   -1.61  
1 1 1 27 4  7  o 27.871  0.3918 29.078  -101.3000 0.19   -3.22  0.67   0.23   
1 1 1 27 4  8  o 43.556  0.5632 41.884  -35.0000  7.72   0.11   -2.01  -0.56  
1 1 1 27 4  9  o 27.592  0.2787 32.491  78.600    -0.60  1.55   0.18   0.32   
1 1 1 27 4  10 o 15.348  0.1389 12.394  169.100   -0.19  -0.08  0.09   -0.31  
1 1 1 27 4  11 o 19.694  0.2433 23.104  44.500    0.11   1.86   0.53   -0.22  
1 1 1 27 4  12 o 22.554  0.3104 20.546  121.200   -1.78  0.22   -0.25  0.12   
1 1 1 27 4  13 o 17.081  0.3615 14.245  -18.1000  0.84   -1.49  0.11   0.13   
1 1 1 27 4  14 f 15.391  0.2768 10.861  97.100    0.80   3.17   0.69   -0.56  
1 1 1 27 4  15 o 5.8382  0.3595 3.7651  127.300   0.73   0.84   -0.00  -0.13  
1 1 1 27 4  16 o 5.4763  0.3359 4.2939  95.300    1.32   0.55   -0.27  -0.16  
1 1 1 27 4  17 o 4.3321  0.9041 4.9174  -121.4000 0.14   -1.15  0.05   0.02   
1 1 1 27 4  18 o 3.5525  0.6626 3.8905  30.500    1.21   -0.36  -0.11  0.12   
1 1 1 27 4  19 o 8.9082  0.2434 11.751  45.900    -0.13  -0.31  0.00   -0.02  
1 1 1 27 4  20 o 12.660  0.2045 13.121  -103.9000 0.15   -0.48  0.02   -0.12  
1 1 1 27 4  21 o 14.128  0.1977 13.748  158.700   -0.37  -1.55  0.11   0.56   
1 1 1 27 4  22 o 8.2457  0.3011 8.9259  179.000   -0.47  -0.21  0.02   0.13   
1 1 1 27 4  23 o 4.0635  0.7853 3.5329  5.7000    0.72   0.19   -0.02  -0.05  
1 1 1 27 4  24 o 5.0687  0.5675 ?       ?         0.58   -0.32  -0.04  -0.03  
1 1 1 27 4  25 o 11.922  0.5112 ?       ?         -1.38  0.13   0.01   -0.04  
1 1 1 27 5  0  o 13.180  0.1722 0.5492  2.1000    0.10   0.00   0.00   0.00   
1 1 1 27 5  1  o 41.749  0.5645 45.341  -6.5000   5.28   -5.69  -0.20  1.95   
1 1 1 27 5  2  o 49.208  0.4997 52.617  109.200   -4.17  3.04   -0.72  1.08   
1 1 1 27 5  3  o 14.319  0.2648 19.981  175.300   -2.49  3.00   0.44   1.56   
1 1 1 27 5  4  o 9.7085  0.2617 14.562  -151.3000 -1.93  -0.78  -0.29  -0.32  
1 1 1 27 5  5  f 14.489  0.5126 2.3062  -151.5000 -18.60 -1.24  -8.77  -1.61  
1 1 1 27 5  6  o 16.265  0.3349 8.9123  47.300    2.25   1.75   -0.24  -0.61  
1 1 1 27 5  7  o 24.303  0.6319 19.278  43.500    6.78   8.13   0.20   -2.90  
1 1 1 27 5  8  o 22.441  0.4533 18.686  -174.2000 -3.42  -4.05  0.36   -1.20  
1 1 1 27 5  9  o 38.168  0.4594 34.706  -23.4000  3.06   0.96   -0.35  -0.45  
1 1 1 27 5  10 o 15.410  0.5187 15.478  62.600    1.90   1.53   -0.02  -0.17  
1 1 1 27 5  11 o 20.258  0.4880 15.909  -156.5000 -6.10  -0.59  -1.57  -0.07  
1 1 1 27 5  12 o 14.256  0.3912 16.065  167.800   -3.68  0.84   -0.70  0.46   
1 1 1 27 5  13 o 12.693  0.1480 11.022  61.000    -0.12  -0.02  0.00   0.12   
1 1 1 27 5  14 o 25.622  0.1582 30.261  -95.4000  0.20   -0.50  -0.72  -0.49  
1 1 1 27 5  15 o 8.8207  0.2198 7.9142  20.900    0.61   -1.03  0.98   0.52   
1 1 1 27 5  16 o 11.948  0.2129 12.716  158.600   0.04   0.25   -0.13  -0.09  
1 1 1 27 5  17 o 19.489  0.2652 20.353  35.000    0.74   -0.45  0.02   0.08   
1 1 1 27 5  18 o 13.451  0.1772 11.485  -86.0000  0.02   0.10   -0.00  -0.01  
1 1 1 27 5  19 f 6.9786  0.4135 6.4980  69.600    1.00   1.22   -0.08  -0.26  
1 1 1 27 5  20 o 12.836  0.1984 12.250  69.500    0.08   0.39   -0.09  -0.02  
1 1 1 27 5  21 o 5.3443  0.4084 3.4691  176.400   0.05   -0.21  0.01   -0.01  
1 1 1 27 5  22 o 9.4637  0.3947 8.8286  -155.9000 0.05   -1.35  0.09   0.13   
1 1 1 27 5  23 o 2.9321  0.7777 3.2980  175.400   -0.95  0.02   -0.08  0.15   
1 1 1 27 5  24 o 6.8528  0.5959 ?       ?         0.58   0.17   0.01   -0.02  
1 1 1 27 5  25 o 18.794  0.6568 ?       ?         -2.35  4.71   0.15   -0.36  
1 1 1 27 6  0  o 14.032  0.1898 23.670  -180.0000 0.08   0.00   0.00   0.00   
1 1 1 27 6  1  o 40.395  1.1617 26.569  81.400    23.04  19.97  -0.42  -7.19  
1 1 1 27 6  2  o 43.784  0.5529 45.373  119.300   -8.67  -0.25  -2.38  -0.58  
1 1 1 27 6  3  o 29.643  0.4160 28.422  -9.7000   1.48   -7.31  2.44   0.68   
1 1 1 27 6  4  o 32.136  0.1575 28.746  -108.1000 1.50   -1.67  -1.03  2.34   
1 1 1 27 6  5  o 21.727  0.3141 23.508  -158.7000 -0.16  -2.28  0.37   -0.01  
1 1 1 27 6  6  f 31.079  0.1656 38.395  -177.3000 -0.49  -0.14  0.66   -0.54  
1 1 1 27 6  7  o 51.177  0.2322 48.944  84.000    -0.68  1.91   -0.56  1.75   
1 1 1 27 6  8  o 61.282  0.2689 65.368  -127.5000 -0.11  -0.34  -0.07  0.09   
1 1 1 27 6  9  o 26.520  0.1785 32.084  69.400    1.84   1.58   -1.00  -1.47  
1 1 1 27 6  10 o 26.607  0.4223 30.422  73.100    -2.04  4.34   0.50   0.81   
1 1 1 27 6  11 o 7.3568  0.2084 15.595  -145.9000 -0.13  0.83   1.28   -0.10  
1 1 1 27 6  12 o 31.566  0.6458 29.147  82.500    -5.62  4.67   -0.44  1.10   
1 1 1 27 6  13 o 7.6614  0.4855 11.350  119.600   -1.72  5.61   1.05   0.82   
1 1 1 27 6  14 o 20.487  0.3208 15.447  93.400    1.07   0.22   -0.08  -0.08  
1 1 1 27 6  15 o 3.1480  0.6242 5.9643  -87.5000  -0.51  -0.46  -0.01  -0.05  
1 1 1 27 6  16 o 14.813  0.2527 16.504  -117.6000 0.67   -1.36  0.06   0.28   
1 1 1 27 6  17 o 26.552  0.2605 28.655  74.000    -0.05  1.90   0.23   -0.33  
1 1 1 27 6  18 o 11.112  0.1846 10.164  159.500   -0.33  0.07   -0.04  -0.18  
1 1 1 27 6  19 o 8.3698  0.2664 7.4401  -157.3000 0.03   -0.01  -0.00  -0.00  
1 1 1 27 6  20 o 17.419  0.2042 18.127  146.700   -0.48  0.20   -0.04  -0.02  
1 1 1 27 6  21 o 7.2139  0.2958 6.3488  -104.3000 -0.19  -0.65  0.12   0.13   
1 1 1 27 6  22 f 9.4102  0.2686 6.7491  -28.2000  -0.28  -0.05  0.03   0.01   
1 1 1 27 6  23 o 6.5592  0.4313 6.2815  152.400   0.04   -0.51  -0.06  -0.05  
1 1 1 27 6  24 o 7.7975  0.4097 ?       ?         -0.36  0.28   0.02   -0.01  
1 1 1 27 6  25 o 11.559  0.5245 ?       ?         0.78   -0.26  0.02   -0.00  
1 1 1 27 7  0  o 34.488  0.2347 33.275  -0.0000   0.33   0.00   0.00   0.00   
1 1 1 27 7  1  o 20.464  0.1192 20.544  62.500    0.52   -0.29  -0.05  0.20   
1 1 1 27 7  2  o 21.158  0.4036 29.116  89.900    1.72   6.47   1.55   -1.06  
1 1 1 27 7  3  o 42.095  0.2039 44.357  93.300    -0.22  0.22   -0.04  0.04   
1 1 1 27 7  4  o 30.882  0.5350 34.386  -121.5000 -3.06  -8.07  1.71   -1.19  
1 1 1 27 7  5  o 8.1052  0.1430 7.2174  177.900   0.11   -0.05  0.23   0.52   
1 1 1 27 7  6  o 17.977  0.3949 11.467  -10.9000  2.07   -1.17  -0.20  0.26   
1 1 1 27 7  7  o 19.503  0.2445 22.341  28.400    0.91   -0.56  -0.04  0.14   
1 1 1 27 7  8  o 17.890  0.3469 15.929  -144.9000 -0.99  1.24   0.02   0.17   
1 1 1 27 7  9  o 11.781  0.2812 9.1755  41.500    2.55   -2.97  0.05   1.85   
1 1 1 27 7  10 o 23.269  0.6313 18.697  42.200    0.97   15.49  4.24   -0.20  
1 1 1 27 7  11 f 26.555  0.1874 34.763  128.100   -0.09  -0.04  0.03   0.03   
1 1 1 27 7  12 o 26.911  0.4014 27.747  -13.6000  3.95   3.31   0.13   -1.48  
1 1 1 27 7  13 f 8.5197  0.1887 12.137  -35.7000  0.24   -0.00  -0.01  0.00   
1 1 1 27 7  14 o 10.060  0.1920 8.7514  95.900    -0.12  -0.01  -0.01  0.00   
1 1 1 27 7  15 o 12.371  0.4058 10.907  64.500    -1.53  -0.37  -0.12  -0.04  
1 1 1 27 7  16 o 6.3864  0.5460 8.2320  65.900    1.75   1.58   -0.07  -0.26  
1 1 1 27 7  17 o 12.286  0.4721 7.3729  92.700    -1.52  4.56   0.63   0.88   
1 1 1 27 7  18 o 11.390  0.2016 10.445  122.100   0.11   -0.50  -0.27  0.29   
1 1 1 27 7  19 o 11.627  0.4200 12.249  92.400    -1.62  1.26   -0.21  0.21   
1 1 1 27 7  20 o 19.724  0.2057 20.410  -172.8000 0.10   -0.43  -0.01  0.02   
1 1 1 27 7  21 o 1.7034  0.7892 1.4586  25.000    -0.13  0.02   0.04   0.01   
1 1 1 27 7  22 o 3.6338  0.7675 2.8936  76.200    -0.28  -0.51  0.03   -0.01  
1 1 1 27 7  23 o 9.9646  0.2935 10.336  -24.0000  -0.78  0.83   -0.15  0.02   
1 1 1 27 7  24 o 5.7543  0.7706 ?       ?         -0.14  -0.91  0.03   0.02   
1 1 1 27 7  25 o 3.9828  0.9234 ?       ?         -0.27  0.09   0.00   -0.01  
1 1 1 27 8  0  f 9.7005  0.2069 1.8684  -179.6000 -0.06  0.00   0.00   0.00   
1 1 1 27 8  1  o 52.533  0.6701 53.210  97.800    -9.73  10.77  -0.61  5.43   
1 1 1 27 8  2  o 9.3918  0.1947 8.5349  -128.2000 -3.27  -1.61  -1.37  -2.13  
1 1 1 27 8  3  o 14.467  0.3619 12.701  144.200   4.67   2.03   -0.99  -1.23  
1 1 1 27 8  4  o 24.959  0.2373 39.599  76.600    4.00   -2.88  -0.39  3.10   
1 1 1 27 8  5  f 8.5974  0.3678 4.1198  155.000   -4.62  -0.69  -1.17  -0.30  
1 1 1 27 8  6  o 51.323  0.2461 53.275  -146.8000 -0.35  0.67   -0.03  0.12   
1 1 1 27 8  7  o 37.548  0.3841 38.339  56.000    0.09   2.39   0.37   0.07   
1 1 1 27 8  8  o 13.977  0.3464 12.343  -78.9000  1.57   -0.15  -0.19  0.01   
1 1 1 27 8  9  o 18.485  0.1279 22.870  -131.0000 -0.43  -0.32  0.03   -0.18  
1 1 1 27 8  10 o 27.811  0.3226 26.049  39.300    0.15   2.31   0.48   0.08   
1 1 1 27 8  11 o 7.1722  0.4216 5.2137  -147.8000 -2.63  -1.97  -0.13  -0.58  
1 1 1 27 8  12 o 21.468  0.4781 21.218  -43.5000  -3.05  -3.27  0.17   -0.72  
1 1 1 27 8  13 o 30.193  0.1686 30.685  97.100    -0.24  -0.06  0.05   -0.06  
1 1 1 27 8  14 o 17.000  0.9347 19.318  -94.0000  5.03   -9.85  0.65   1.14   
1 1 1 27 8  15 o 18.925  0.1645 19.164  -66.1000  0.65   -0.40  -0.77  -0.75  
1 1 1 27 8  16 o 5.6299  0.2808 4.4438  27.600    0.22   0.07   0.32   -0.16  
1 1 1 27 8  17 o 11.689  0.1863 13.649  128.800   0.29   0.05   -0.04  0.03   
1 1 1 27 8  18 f 23.739  0.1859 23.377  125.800   -1.68  -1.61  -0.99  -0.31  
1 1 1 27 8  19 o 6.7249  0.2728 6.2818  -113.7000 -0.36  -0.10  0.18   -0.13  
1 1 1 27 8  20 o 2.0807  0.9825 4.1042  47.600    0.38   -0.10  -0.06  -0.00  
1 1 1 27 8  21 o 10.314  0.4493 10.305  179.900   -0.02  0.65   0.02   0.02   
1 1 1 27 8  22 o 10.672  0.2496 8.4227  -106.2000 0.79   0.08   0.19   0.08   
1 1 1 27 8  23 o 6.0440  0.4458 6.8523  -43.6000  0.06   0.25   -0.00  -0.01  
1 1 1 27 8  24 o 2.8243  0.8649 ?       ?         -0.05  0.23   -0.02  -0.00  
1 1 1 27 8  25 o 6.4381  0.7408 ?       ?         0.17   0.33   -0.00  0.00   
1 1 1 27 9  0  o 33.985  0.2381 24.015  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 27 9  1  o 20.900  0.1251 12.112  67.500    -0.06  -0.03  -0.04  0.02   
1 1 1 27 9  2  o 17.383  0.6989 16.043  134.300   -7.36  11.09  1.19   2.50   
1 1 1 27 9  3  o 42.357  0.2128 33.644  122.400   3.56   3.09   -4.28  -4.62  
1 1 1 27 9  4  o 13.471  0.1320 20.605  68.400    -0.68  0.62   0.68   1.82   
1 1 1 27 9  5  o 17.699  0.7573 11.912  -65.8000  19.50  -6.63  -5.36  3.63   
1 1 1 27 9  6  o 15.179  0.4096 15.157  -47.9000  0.09   -8.09  3.65   -0.28  
1 1 1 27 9  7  o 13.318  0.1544 3.4035  -131.7000 0.19   0.27   1.07   -0.05  
1 1 1 27 9  8  o 32.435  0.1926 29.747  178.700   0.56   0.05   0.99   0.31   
1 1 1 27 9  9  o 14.710  0.1671 13.435  -90.7000  0.49   -0.26  0.04   0.75   
1 1 1 27 9  10 o 17.945  0.3344 22.186  17.200    0.56   2.80   0.54   -0.34  
1 1 1 27 9  11 f 16.445  0.1531 14.170  5.5000    0.50   -0.15  -0.14  0.03   
1 1 1 27 9  12 f 22.618  0.1435 28.523  38.400    -0.17  0.40   -0.29  0.34   
1 1 1 27 9  13 o 7.4126  0.2139 6.9915  85.700    -0.04  0.00   0.04   0.01   
1 1 1 27 9  14 o 39.412  0.2706 39.593  96.000    0.37   1.50   0.26   0.12   
1 1 1 27 9  15 o 21.793  0.1887 18.764  116.800   -2.33  0.07   -0.81  1.17   
1 1 1 27 9  16 o 12.812  0.2206 13.025  -175.8000 -1.68  1.56   0.34   0.82   
1 1 1 27 9  17 o 10.049  0.2599 8.6047  151.200   -1.64  -2.24  0.82   -0.85  
1 1 1 27 9  18 f 8.5929  0.2362 4.0864  -50.6000  -0.06  -0.34  -0.37  0.05   
1 1 1 27 9  19 o 3.5428  0.4619 1.1423  -119.9000 -0.00  -0.44  0.08   0.10   
1 1 1 27 9  20 o 8.7551  0.3120 8.6514  -123.3000 -0.40  -0.60  -0.02  -0.07  
1 1 1 27 9  21 o 7.4411  0.3052 7.3608  60.800    0.95   0.55   -0.38  0.20   
1 1 1 27 9  22 o 8.3100  0.5182 8.4654  167.700   0.37   0.08   -0.00  -0.01  
1 1 1 27 9  23 o 8.9532  0.5491 9.5877  157.000   -1.85  1.34   -0.25  0.08   
1 1 1 27 9  24 o 4.8227  2.0980 ?       ?         -0.18  1.19   0.06   -0.01  
1 1 1 27 9  25 o 3.5127  0.9919 ?       ?         0.01   -0.50  -0.02  -0.01  
1 1 1 27 9  26 o 0.0000  4.7011 ?       ?         0.09   0.02   0.00   0.00   
1 1 1 27 10 0  o 30.231  0.2184 22.847  0.0000    -0.18  0.00   0.00   0.00   
1 1 1 27 10 1  o 24.120  0.7685 25.288  177.100   -20.55 1.24   -5.17  0.35   
1 1 1 27 10 2  o 79.803  0.3465 71.666  -90.6000  -0.18  -1.68  -0.12  -0.63  
1 1 1 27 10 3  o 28.978  0.6180 29.373  75.500    -3.97  7.93   1.09   1.19   
1 1 1 27 10 4  o 38.157  0.2034 32.565  86.900    0.13   1.43   1.35   1.41   
1 1 1 27 10 5  o 30.635  0.2908 34.682  0.3000    1.57   -0.60  -0.17  0.29   
1 1 1 27 10 6  o 29.853  0.3804 26.890  134.800   -2.94  3.56   0.67   1.45   
1 1 1 27 10 7  o 21.637  0.3881 14.644  -85.4000  -0.89  -3.67  0.61   -0.43  
1 1 1 27 10 8  o 34.712  0.1716 38.568  85.600    -0.23  0.35   -0.20  -0.50  
1 1 1 27 10 9  o 43.387  0.4059 36.367  -175.5000 -7.66  1.78   -2.57  2.51   
1 1 1 27 10 10 o 50.948  0.2359 52.903  -171.7000 -0.73  -2.01  1.13   0.71   
1 1 1 27 10 11 o 10.831  0.2307 11.825  52.700    -2.29  1.55   -0.60  1.03   
1 1 1 27 10 12 o 40.343  0.2045 38.428  66.000    0.02   0.42   0.02   -0.06  
1 1 1 27 10 13 o 7.7011  0.3695 9.8338  -146.8000 -1.95  -1.74  0.00   -0.49  
1 1 1 27 10 14 o 11.176  0.3513 5.4462  -141.4000 -3.79  4.18   -0.24  2.46   
1 1 1 27 10 15 o 20.505  0.1571 19.926  47.800    0.61   -0.70  -0.91  -0.02  
1 1 1 27 10 16 f 21.010  0.1767 18.313  172.200   -1.50  -0.65  -0.56  0.19   
1 1 1 27 10 17 o 19.445  0.1638 18.493  107.700   0.46   -0.29  -0.13  -0.14  
1 1 1 27 10 18 o 18.220  0.2577 20.175  32.000    0.72   -0.75  -0.07  0.10   
1 1 1 27 10 19 o 9.1084  0.4023 8.3736  -159.0000 -2.02  -0.43  -0.23  -0.30  
1 1 1 27 10 20 o 9.3393  0.2477 9.3373  -33.7000  -0.11  -0.79  0.04   -0.10  
1 1 1 27 10 21 o 13.497  0.2133 14.980  -76.5000  -0.25  -0.04  0.02   -0.01  
1 1 1 27 10 22 o 5.2040  0.4214 5.6487  5.2000    -0.20  0.30   -0.07  -0.03  
1 1 1 27 10 23 o 3.2705  0.7824 2.5172  -43.3000  -0.33  -0.11  0.01   -0.03  
1 1 1 27 10 24 o 8.0616  0.4307 ?       ?         0.30   0.66   -0.04  -0.02  
1 1 1 27 10 25 o 3.7349  1.0512 ?       ?         0.09   -0.01  0.00   -0.00  
1 1 1 27 11 0  f 28.443  0.1973 30.886  -0.0000   0.04   0.00   0.00   0.00   
1 1 1 27 11 1  o 15.656  0.1320 16.156  156.100   -0.65  2.45   1.76   1.54   
1 1 1 27 11 2  o 14.665  0.7978 6.3574  -62.8000  -0.36  -16.74 2.65   -0.19  
1 1 1 27 11 3  o 45.398  0.2826 45.746  -48.8000  0.51   -2.45  0.79   -0.02  
1 1 1 27 11 4  o 15.465  0.2820 13.265  42.300    -0.17  1.50   0.24   0.02   
1 1 1 27 11 5  o 37.302  0.4469 30.854  52.900    -0.21  3.84   0.84   -0.15  
1 1 1 27 11 6  o 45.247  0.2167 49.136  55.100    -0.52  0.92   0.40   0.05   
1 1 1 27 11 7  o 32.741  0.5914 34.944  -111.4000 -2.07  -9.73  2.08   -1.31  
1 1 1 27 11 8  o 27.450  0.3017 20.386  -144.4000 -1.71  0.14   -0.29  0.14   
1 1 1 27 11 9  o 47.726  0.6272 46.696  65.300    4.52   5.34   0.58   -1.26  
1 1 1 27 11 10 o 15.082  0.3314 15.812  96.500    -0.40  4.81   1.80   0.04   
1 1 1 27 11 11 o 24.598  0.2075 26.073  158.400   -2.70  -3.37  1.81   -2.83  
1 1 1 27 11 12 o 23.290  0.1828 24.834  66.800    -2.56  1.37   -1.86  0.85   
1 1 1 27 11 13 o 22.950  0.1710 21.678  -51.6000  1.47   0.25   -1.40  1.29   
1 1 1 27 11 14 o 20.657  0.1748 16.940  50.000    0.59   0.33   0.02   -0.11  
1 1 1 27 11 15 o 23.938  0.2472 24.582  45.800    0.47   1.84   0.18   -0.33  
1 1 1 27 11 16 o 19.765  0.1542 20.734  47.700    0.32   1.04   0.29   0.30   
1 1 1 27 11 17 o 22.084  0.1626 24.600  150.700   -1.21  0.68   0.95   -0.54  
1 1 1 27 11 18 o 12.187  0.2804 11.145  -164.3000 0.45   -0.54  0.04   0.04   
1 1 1 27 11 19 o 12.909  0.1857 13.525  -125.5000 0.29   -0.81  -0.17  0.22   
1 1 1 27 11 20 o 11.490  0.2603 12.451  132.200   -0.13  2.76   0.68   -0.67  
1 1 1 27 11 21 o 14.008  0.3681 13.365  165.500   -2.48  -0.12  -0.27  0.30   
1 1 1 27 11 22 o 12.255  0.2383 13.065  12.200    1.27   -0.42  0.07   -0.32  
1 1 1 27 11 23 o 7.3405  0.6517 7.7162  41.900    0.01   0.08   0.00   0.00   
1 1 1 27 11 24 o 3.8764  0.8807 ?       ?         -0.01  0.39   -0.01  0.01   
1 1 1 27 11 25 o 6.7150  1.1493 ?       ?         -0.00  0.13   0.00   0.00   
1 1 1 27 11 26 o 0.0000  4.0125 ?       ?         -0.19  -0.19  0.00   0.00   
1 1 1 27 12 0  o 24.226  0.2006 35.850  179.900   0.17   0.00   0.00   0.00   
1 1 1 27 12 1  o 11.888  0.1248 20.085  -10.4000  0.81   1.09   0.10   -0.91  
1 1 1 27 12 2  o 41.194  0.2305 41.688  -19.0000  2.66   -1.53  -1.37  0.92   
1 1 1 27 12 3  o 37.357  0.2440 39.707  100.100   2.41   2.34   -0.69  -1.60  
1 1 1 27 12 4  o 21.660  0.6184 6.5816  22.200    11.86  -2.63  -2.96  1.73   
1 1 1 27 12 5  o 20.419  0.1262 17.228  -57.9000  -0.03  -0.15  0.06   0.11   
1 1 1 27 12 6  o 29.191  0.3574 24.995  -34.7000  6.59   2.70   -1.87  -2.84  
1 1 1 27 12 7  o 27.072  0.1550 21.727  -52.7000  1.30   0.44   -0.27  -0.87  
1 1 1 27 12 8  o 36.675  0.1849 32.308  -96.4000  -0.74  -0.33  -0.83  0.98   
1 1 1 27 12 9  o 30.129  0.1696 24.649  -47.7000  0.03   -0.16  0.02   -0.01  
1 1 1 27 12 10 o 19.249  0.1384 17.105  156.300   -0.25  0.19   0.33   0.18   
1 1 1 27 12 11 o 19.113  0.1524 17.470  55.000    0.24   0.49   0.02   -0.10  
1 1 1 27 12 12 o 43.904  0.2476 45.904  126.800   2.56   -0.29  -0.73  -0.62  
1 1 1 27 12 13 o 17.618  0.1539 18.459  14.200    0.44   0.24   -0.57  0.26   
1 1 1 27 12 14 o 14.077  0.1958 16.995  69.700    -2.46  1.23   -1.30  0.76   
1 1 1 27 12 15 o 11.884  0.1747 12.742  -28.9000  0.26   0.01   0.16   0.21   
1 1 1 27 12 16 o 6.6650  0.2582 5.8401  -109.3000 0.37   0.74   -0.46  -0.80  
1 1 1 27 12 17 o 13.194  0.1754 12.563  -170.3000 0.58   -0.22  -0.20  -0.20  
1 1 1 27 12 18 o 13.642  0.1996 13.304  93.100    0.75   0.79   -0.94  0.35   
1 1 1 27 12 19 o 12.530  0.4050 11.735  128.100   -0.02  0.14   0.00   -0.00  
1 1 1 27 12 20 o 13.114  0.1862 12.739  36.900    1.06   -0.09  -0.11  -0.23  
1 1 1 27 12 21 o 12.937  0.2124 13.716  31.000    0.44   0.49   0.07   0.12   
1 1 1 27 12 22 o 11.511  0.2425 11.152  -51.7000  -0.72  -0.35  0.08   0.13   
1 1 1 27 12 23 o 4.5455  0.5336 4.7824  -157.1000 -0.31  -0.15  0.02   0.03   
1 1 1 27 12 24 o 7.6126  0.5163 ?       ?         -0.42  -1.33  -0.08  -0.05  
1 1 1 27 12 25 o 7.4279  0.8479 ?       ?         -0.14  0.70   -0.00  0.01   
1 1 1 27 12 26 o 8.8487  1.2511 ?       ?         0.53   -1.87  0.00   0.00   
1 1 1 27 13 0  o 5.9833  0.1626 2.1731  179.400   0.01   0.00   0.00   0.00   
1 1 1 27 13 1  o 16.003  0.6183 16.864  134.800   -5.37  9.63   1.09   1.60   
1 1 1 27 13 2  o 18.294  0.1568 16.508  10.600    0.68   2.16   7.90   -0.55  
1 1 1 27 13 3  o 18.670  0.1468 15.608  -44.0000  0.66   -0.41  -1.17  0.37   
1 1 1 27 13 4  o 15.878  0.1126 17.268  -19.4000  0.43   -0.10  -0.20  0.00   
1 1 1 27 13 5  o 7.4334  0.1486 4.5091  -165.0000 -0.32  -0.01  -0.37  -0.18  
1 1 1 27 13 6  o 18.559  0.2651 16.032  8.3000    1.09   6.98   5.47   -2.97  
1 1 1 27 13 7  o 10.638  0.1423 11.347  72.700    2.24   1.44   -1.84  -2.45  
1 1 1 27 13 8  o 21.514  0.1426 22.400  126.300   -0.40  0.39   -1.98  -0.06  
1 1 1 27 13 9  o 5.9322  0.5226 7.6688  -100.9000 1.52   -3.85  0.55   0.46   
1 1 1 27 13 10 o 8.4907  0.4927 8.3989  -98.3000  3.27   0.75   -0.34  -0.19  
1 1 1 27 13 11 o 21.861  0.1412 20.164  -47.5000  0.18   -0.15  -0.16  -0.05  
1 1 1 27 13 12 o 14.826  0.1409 17.967  81.000    0.63   -0.94  -0.02  0.53   
1 1 1 27 13 13 o 13.460  0.1461 13.912  148.900   -0.49  -0.09  0.59   1.19   
1 1 1 27 13 14 o 13.307  0.1675 11.070  31.400    -0.03  -0.25  0.02   0.01   
1 1 1 27 13 15 f 14.031  0.1517 16.145  61.500    -0.12  0.35   -0.10  0.14   
1 1 1 27 13 16 o 16.727  0.5567 14.193  -34.8000  -0.78  -2.41  0.11   -0.16  
1 1 1 27 13 17 o 5.1066  0.6201 4.4129  32.400    1.00   0.63   -0.02  -0.08  
1 1 1 27 13 18 o 3.4277  0.4852 4.2946  114.700   -0.26  0.26   -0.06  0.06   
1 1 1 27 13 19 o 10.648  0.2151 9.1307  77.500    0.10   0.68   0.04   0.26   
1 1 1 27 13 20 o 4.9613  0.6146 6.7363  173.900   -0.92  -0.14  -0.04  -0.04  
1 1 1 27 13 21 o 3.5063  0.5444 2.9616  4.5000    0.17   -0.03  0.01   -0.02  
1 1 1 27 13 22 o 12.257  0.2739 12.566  -18.6000  1.21   -2.03  0.44   -0.51  
1 1 1 27 13 23 o 7.1758  0.4842 ?       ?         -0.42  -0.79  0.05   0.02   
1 1 1 27 13 24 o 5.8972  0.6875 ?       ?         0.20   -0.29  0.00   -0.01  
1 1 1 27 13 25 o 13.117  1.6051 ?       ?         -3.61  -1.44  0.06   -0.12  
1 1 1 27 13 26 o 4.5387  1.4927 ?       ?         0.18   -0.08  0.00   0.00   
1 1 1 27 14 0  o 11.606  0.1489 17.388  -0.1000   0.04   0.00   0.00   0.00   
1 1 1 27 14 1  o 25.462  0.2859 17.530  -42.2000  2.52   -0.99  -0.68  0.38   
1 1 1 27 14 2  o 46.208  0.6506 49.344  -146.5000 -6.65  2.19   -0.87  1.10   
1 1 1 27 14 3  o 27.342  0.5051 26.456  -105.1000 -3.97  -6.52  0.68   -2.03  
1 1 1 27 14 4  o 31.751  0.4449 31.829  -104.5000 -7.77  -2.08  -3.21  -0.99  
1 1 1 27 14 5  o 37.517  0.5314 40.431  -146.6000 -3.63  -3.24  0.07   -0.78  
1 1 1 27 14 6  o 43.531  0.2192 45.748  -35.4000  0.35   0.76   0.19   0.01   
1 1 1 27 14 7  o 11.416  0.1404 9.7770  71.000    0.58   0.60   -0.36  -0.86  
1 1 1 27 14 8  o 38.725  0.3086 37.274  -18.0000  1.27   -1.47  -0.08  0.34   
1 1 1 27 14 9  o 25.979  0.1480 25.950  51.200    0.22   0.14   -0.12  0.03   
1 1 1 27 14 10 o 34.918  0.3972 31.786  -173.5000 1.02   -0.98  -0.04  0.11   
1 1 1 27 14 11 o 8.5815  0.2557 10.087  -144.4000 0.30   -1.33  0.21   0.14   
1 1 1 27 14 12 o 12.179  0.5366 7.2116  130.100   -5.98  3.21   -0.64  0.80   
1 1 1 27 14 13 f 19.663  0.1448 20.234  -17.8000  0.35   -0.50  0.53   -0.31  
1 1 1 27 14 14 o 9.3968  0.1801 10.989  39.500    0.13   -0.12  0.02   -0.31  
1 1 1 27 14 15 o 6.5092  0.2511 5.4149  -73.4000  0.06   -0.01  0.00   0.01   
1 1 1 27 14 16 o 22.103  0.1735 20.407  139.000   0.05   0.25   0.01   0.02   
1 1 1 27 14 17 o 15.621  0.2036 16.955  -85.9000  -0.64  -0.22  -0.08  0.01   
1 1 1 27 14 18 o 14.488  0.1823 15.416  67.000    -1.19  0.23   -0.18  -0.46  
1 1 1 27 14 19 f 23.391  0.1908 23.098  119.100   0.18   0.71   -0.08  0.06   
1 1 1 27 14 20 o 6.0362  0.3262 4.4945  -39.8000  -0.21  0.15   -0.02  -0.05  
1 1 1 27 14 21 o 10.448  0.2328 10.527  26.000    -0.72  -0.72  0.25   0.21   
1 1 1 27 14 22 o 11.651  0.2814 11.428  175.300   -0.76  -0.42  0.08   0.12   
1 1 1 27 14 23 o 5.3731  0.6548 ?       ?         0.16   -0.31  0.01   -0.00  
1 1 1 27 14 24 o 7.0875  1.0515 ?       ?         1.39   -0.71  -0.06  -0.02  
1 1 1 27 14 25 o 3.7835  0.9297 ?       ?         -0.21  0.20   0.00   -0.01  
1 1 1 27 14 26 o 6.8512  1.0833 ?       ?         0.21   -0.58  -0.00  -0.00  
1 1 1 27 15 0  f 53.942  0.3637 54.548  0.0000    0.52   0.00   0.00   0.00   
1 1 1 27 15 1  o 15.439  0.1450 19.921  35.000    0.54   -0.31  -0.04  0.14   
1 1 1 27 15 2  o 29.163  0.1619 24.035  -115.5000 -1.31  -0.21  -1.83  2.48   
1 1 1 27 15 3  o 18.116  0.2750 16.474  133.000   1.74   1.09   -0.14  -0.52  
1 1 1 27 15 4  o 27.280  0.1449 20.625  -50.0000  -0.10  -0.06  -0.03  -0.00  
1 1 1 27 15 5  o 10.553  0.3151 13.712  -39.4000  4.16   -3.29  -0.30  1.88   
1 1 1 27 15 6  o 24.493  0.2074 22.914  -110.1000 -2.18  -0.18  -0.89  -0.53  
1 1 1 27 15 7  o 13.820  0.1265 14.310  176.700   -0.06  0.15   0.29   -0.28  
1 1 1 27 15 8  o 11.523  0.1316 15.238  122.800   0.50   0.89   0.28   -1.82  
1 1 1 27 15 9  o 15.198  0.6291 16.407  94.500    -3.97  12.66  3.12   1.83   
1 1 1 27 15 10 o 27.200  0.6199 34.324  72.800    -6.49  7.21   -0.07  1.96   
1 1 1 27 15 11 o 25.585  0.1557 24.140  126.000   -0.35  0.93   0.28   0.02   
1 1 1 27 15 12 f 9.3810  0.1768 9.4162  -126.8000 0.00   -0.59  0.67   1.66   
1 1 1 27 15 13 o 11.051  0.3441 5.7332  90.800    0.69   2.86   0.67   -0.18  
1 1 1 27 15 14 o 5.3227  0.2836 6.7997  -35.5000  0.79   -0.09  -0.45  -0.15  
1 1 1 27 15 15 o 6.2947  0.2664 5.1418  -143.1000 0.03   0.20   0.03   0.01   
1 1 1 27 15 16 o 14.372  0.3347 14.933  2.0000    0.33   0.42   0.01   -0.02  
1 1 1 27 15 17 o 22.041  0.1685 21.550  -21.6000  0.86   -0.41  0.28   0.18   
1 1 1 27 15 18 o 16.982  0.1898 16.851  25.900    -0.42  0.38   0.07   0.01   
1 1 1 27 15 19 o 10.525  0.2273 10.017  -58.6000  0.27   0.26   -0.06  0.06   
1 1 1 27 15 20 o 6.5626  0.3316 6.2802  -27.0000  0.77   -0.11  0.04   0.21   
1 1 1 27 15 21 o 3.7374  0.8658 4.3087  147.300   0.02   0.13   0.00   -0.00  
1 1 1 27 15 22 o 5.5274  0.4655 4.6318  -124.6000 0.05   0.33   -0.01  0.03   
1 1 1 27 15 23 o 8.9480  0.3656 ?       ?         -1.01  -0.27  0.12   0.03   
1 1 1 27 15 24 o 5.3814  0.8540 ?       ?         0.45   -0.47  0.02   -0.00  
1 1 1 27 15 25 o 1.3929  1.4463 ?       ?         -0.18  0.18   0.00   -0.01  
1 1 1 27 15 26 o 5.9171  1.5842 ?       ?         -0.09  0.17   -0.00  0.00   
1 1 1 27 16 0  o 18.802  0.2052 13.158  0.2000    -0.03  0.00   0.00   0.00   
1 1 1 27 16 1  o 28.663  0.1751 23.794  23.700    0.21   -1.26  0.64   -0.17  
1 1 1 27 16 2  o 19.138  0.1334 11.017  -76.9000  -0.21  0.30   -0.92  -1.77  
1 1 1 27 16 3  o 41.734  0.4119 41.346  118.300   2.27   6.29   2.47   -0.95  
1 1 1 27 16 4  o 12.730  0.1180 15.469  40.400    -0.65  0.33   -0.12  0.29   
1 1 1 27 16 5  o 14.991  0.1248 20.733  90.200    -0.20  0.49   0.09   0.28   
1 1 1 27 16 6  o 25.220  0.4395 22.402  118.500   -3.84  5.43   0.34   2.13   
1 1 1 27 16 7  o 34.194  0.4177 33.114  81.800    3.31   4.25   0.05   -1.30  
1 1 1 27 16 8  o 33.667  0.1738 36.434  -36.3000  0.14   -0.22  -0.09  -0.14  
1 1 1 27 16 9  o 22.213  0.1555 20.977  87.100    -0.25  -0.08  -0.04  0.00   
1 1 1 27 16 10 o 32.170  0.1909 31.281  -99.3000  0.45   -0.13  0.16   -0.33  
1 1 1 27 16 11 o 17.011  0.2828 15.247  -15.3000  0.95   0.17   -0.08  -0.01  
1 1 1 27 16 12 o 7.3392  0.2025 8.2375  68.000    0.47   -0.29  -0.02  0.10   
1 1 1 27 16 13 o 6.2537  0.2506 5.6781  -70.8000  -0.21  -0.28  0.08   -0.08  
1 1 1 27 16 14 o 16.734  0.4733 14.547  -156.0000 -1.71  -9.21  2.80   -0.37  
1 1 1 27 16 15 o 16.031  0.1774 17.032  101.100   0.40   0.13   -0.02  0.13   
1 1 1 27 16 16 o 9.4685  0.4233 11.651  54.700    1.07   -0.63  -0.07  0.06   
1 1 1 27 16 17 o 11.702  0.1925 11.781  159.500   -1.00  -0.64  0.89   -0.66  
1 1 1 27 16 18 o 14.443  0.2404 14.388  -77.3000  -0.79  -2.28  -0.17  -0.91  
1 1 1 27 16 19 o 7.5640  0.4314 6.6194  -104.7000 0.07   -2.38  0.37   0.25   
1 1 1 27 16 20 o 12.265  0.2183 11.731  -127.0000 -0.05  -0.26  0.01   0.01   
1 1 1 27 16 21 o 16.514  0.2128 17.290  -96.4000  0.45   -0.91  0.03   -0.11  
1 1 1 27 16 22 o 6.1579  0.4194 5.9726  -42.3000  0.30   0.81   -0.20  0.02   
1 1 1 27 16 23 f 8.8285  0.5465 ?       ?         0.36   0.53   0.02   0.01   
1 1 1 27 16 24 o 5.9872  0.5269 ?       ?         0.11   -0.64  -0.02  0.02   
1 1 1 27 16 25 o 6.7441  0.6519 ?       ?         -0.13  -0.10  0.00   0.00   
1 1 1 27 16 26 o 3.7852  1.8860 ?       ?         0.01   1.27   -0.04  -0.02  
1 1 1 27 17 0  o 7.9436  0.2264 4.2903  -0.4000   0.00   0.00   0.00   0.00   
1 1 1 27 17 1  o 25.836  0.3184 20.489  117.300   3.43   1.03   -1.00  -0.38  
1 1 1 27 17 2  o 25.890  0.2031 23.628  132.500   -4.01  -3.72  1.39   -5.48  
1 1 1 27 17 3  o 26.557  0.8465 28.360  -132.4000 -4.62  -7.60  0.49   -0.78  
1 1 1 27 17 4  o 35.013  0.1692 35.347  132.200   -0.35  0.48   -0.70  -0.22  
1 1 1 27 17 5  o 7.6328  0.1493 3.4365  51.400    0.10   -0.60  0.80   0.77   
1 1 1 27 17 6  o 28.242  0.1715 21.683  -40.4000  1.54   1.28   2.96   -3.33  
1 1 1 27 17 7  f 20.759  0.1318 22.329  48.100    1.98   -0.41  -1.67  1.84   
1 1 1 27 17 8  o 16.766  0.4008 19.439  -14.0000  1.99   -0.90  -0.21  0.18   
1 1 1 27 17 9  o 34.685  0.1938 32.850  81.000    0.13   -0.66  0.22   -0.31  
1 1 1 27 17 10 o 15.661  0.3912 14.159  -16.0000  2.02   -4.15  0.76   0.72   
1 1 1 27 17 11 o 11.356  0.3107 11.366  -144.9000 -4.14  -1.83  -1.15  -0.95  
1 1 1 27 17 12 o 9.0210  0.3495 6.5208  75.500    -1.99  1.17   -0.32  0.37   
1 1 1 27 17 13 o 15.249  0.1512 17.499  -117.2000 0.01   -0.49  0.10   -0.08  
1 1 1 27 17 14 f 23.931  0.1728 22.740  -114.4000 0.97   0.93   0.32   -0.19  
1 1 1 27 17 15 o 4.7254  0.3245 2.6393  73.500    -0.14  -0.11  0.13   0.08   
1 1 1 27 17 16 o 8.0397  0.4950 9.8853  -72.0000  1.81   -2.56  0.04   0.44   
1 1 1 27 17 17 o 18.777  0.1648 17.876  132.500   -0.92  0.41   0.57   -0.36  
1 1 1 27 17 18 o 6.2223  0.3116 8.0253  -176.3000 -0.33  -0.64  0.20   0.01   
1 1 1 27 17 19 o 18.786  0.3195 18.230  -177.1000 -3.50  0.54   -0.61  -0.51  
1 1 1 27 17 20 o 2.3710  1.0971 1.4207  -68.9000  0.21   1.04   0.16   0.00   
1 1 1 27 17 21 o 9.4604  0.3994 9.8682  -139.6000 -0.21  -0.10  -0.00  0.00   
1 1 1 27 17 22 o 12.070  0.2998 11.286  -162.2000 -1.38  -1.61  0.34   0.03   
1 1 1 27 17 23 o 4.9766  0.9449 ?       ?         0.44   -0.62  0.04   -0.00  
1 1 1 27 17 24 o 12.682  0.3555 ?       ?         -0.09  0.70   -0.01  -0.01  
1 1 1 27 17 25 o 7.9616  0.8214 ?       ?         1.22   0.14   0.01   0.02   
1 1 1 27 17 26 o 8.6606  0.8207 ?       ?         -0.27  0.40   -0.00  0.00   
1 1 1 27 18 0  f 54.244  0.4343 48.674  0.0000    -0.36  0.00   0.00   0.00   
1 1 1 27 18 1  o 29.274  0.5863 27.167  100.200   -6.96  6.75   -0.40  2.30   
1 1 1 27 18 2  o 27.640  0.2091 17.286  34.300    3.96   -1.08  -2.06  2.66   
1 1 1 27 18 3  o 36.852  0.9708 27.711  -174.4000 -0.48  10.68  1.32   -0.07  
1 1 1 27 18 4  o 30.035  0.4214 28.815  -16.7000  -0.48  -5.10  1.26   -0.56  
1 1 1 27 18 5  f 10.148  0.2939 9.8277  -6.0000   2.30   -2.03  -0.12  0.61   
1 1 1 27 18 6  o 10.552  0.1692 3.8013  23.600    0.35   3.54   2.92   -1.06  
1 1 1 27 18 7  o 10.710  0.6294 7.5764  35.100    3.05   14.17  3.83   -1.48  
1 1 1 27 18 8  o 26.612  0.1550 30.884  113.700   0.47   0.20   0.18   -0.34  
1 1 1 27 18 9  o 6.5359  0.1944 10.178  -163.2000 -0.04  -0.13  -0.13  -0.28  
1 1 1 27 18 10 o 12.882  0.2558 19.333  79.300    -1.66  2.87   0.37   1.07   
1 1 1 27 18 11 o 7.9468  0.2244 10.132  67.800    0.13   0.22   0.01   -0.01  
1 1 1 27 18 12 o 6.5370  0.5808 5.9086  162.000   -3.79  -2.75  -0.17  -0.73  
1 1 1 27 18 13 o 9.2438  0.3387 8.6121  99.300    0.34   3.80   0.91   -0.37  
1 1 1 27 18 14 f 7.3857  0.2282 7.9322  3.2000    0.15   -0.02  0.12   -0.05  
1 1 1 27 18 15 o 10.715  0.2352 13.060  -150.4000 0.86   -2.38  0.35   0.90   
1 1 1 27 18 16 o 8.1896  0.4706 7.4637  -146.1000 -1.90  -1.82  -0.13  -0.36  
1 1 1 27 18 17 o 10.819  0.2968 11.423  151.100   0.15   2.11   0.38   -0.30  
1 1 1 27 18 18 o 11.347  0.4017 10.640  107.800   -3.05  -0.23  -0.54  0.26   
1 1 1 27 18 19 o 15.066  0.1849 14.631  -146.4000 -1.44  0.02   0.63   0.48   
1 1 1 27 18 20 o 11.160  0.2181 11.109  -27.4000  0.06   -0.16  -0.01  -0.01  
1 1 1 27 18 21 o 6.5672  0.3551 5.7189  6.5000    0.39   0.36   -0.06  0.05   
1 1 1 27 18 22 o 10.715  0.2973 10.372  -108.1000 0.59   1.31   -0.14  -0.11  
1 1 1 27 18 23 o 7.2727  0.4953 ?       ?         0.63   0.88   -0.09  0.06   
1 1 1 27 18 24 f 4.1157  0.7367 ?       ?         -0.25  0.39   -0.02  -0.00  
1 1 1 27 18 25 o 5.7148  0.8514 ?       ?         0.71   0.08   0.01   0.00   
1 1 1 27 19 0  o 34.873  0.2901 35.895  -0.0000   0.28   0.00   0.00   0.00   
1 1 1 27 19 1  o 11.336  0.6627 13.625  65.300    -10.88 10.25  -0.43  3.98   
1 1 1 27 19 2  o 25.733  0.2254 27.479  164.400   1.11   0.44   -0.24  -0.10  
1 1 1 27 19 3  o 27.504  0.6539 33.495  -143.3000 -2.87  5.12   0.46   0.57   
1 1 1 27 19 4  o 7.3250  0.2185 12.274  163.100   -0.71  3.23   1.82   0.63   
1 1 1 27 19 5  o 34.179  0.2115 28.442  -156.7000 -3.28  0.73   -1.21  1.42   
1 1 1 27 19 6  o 24.266  0.1409 23.698  -5.2000   -0.11  -1.04  0.42   -0.69  
1 1 1 27 19 7  o 21.596  0.1791 21.600  4.0000    0.63   2.54   5.25   1.83   
1 1 1 27 19 8  o 16.449  0.2475 13.527  -149.9000 0.09   0.79   0.06   -0.03  
1 1 1 27 19 9  o 19.700  0.1473 22.620  -50.5000  -0.05  -1.74  1.79   -2.39  
1 1 1 27 19 10 o 22.033  0.1865 22.510  -88.0000  -0.29  -0.27  -0.02  -0.03  
1 1 1 27 19 11 o 11.381  0.4150 10.674  123.600   -1.04  5.99   1.28   0.31   
1 1 1 27 19 12 o 22.490  0.3015 25.401  -7.2000   1.83   -4.34  1.61   0.62   
1 1 1 27 19 13 o 9.4579  0.1842 13.066  178.200   -0.28  -0.55  0.14   -0.06  
1 1 1 27 19 14 o 4.3159  0.3321 4.2899  64.500    -0.34  0.42   -0.12  0.25   
1 1 1 27 19 15 o 5.0417  0.3363 4.9378  -70.3000  -0.10  -0.10  0.06   0.03   
1 1 1 27 19 16 o 5.0327  0.5311 4.1749  80.200    -0.10  0.68   0.03   0.02   
1 1 1 27 19 17 o 6.5073  0.5314 6.1676  -170.1000 -3.15  -1.69  -0.18  -0.74  
1 1 1 27 19 18 f 17.652  0.1843 14.148  84.200    0.01   0.19   -0.00  -0.01  
1 1 1 27 19 19 o 6.9031  0.6380 6.9293  -172.5000 -1.87  0.42   -0.10  0.14   
1 1 1 27 19 20 o 7.2483  0.3235 7.4431  -145.4000 -1.15  -0.51  0.60   -0.02  
1 1 1 27 19 21 o 6.0290  0.4343 6.1973  -109.1000 0.41   -0.23  -0.03  -0.02  
1 1 1 27 19 22 o 5.2124  0.5982 ?       ?         -0.52  -0.41  0.02   -0.02  
1 1 1 27 19 23 f 2.3031  1.1862 ?       ?         0.21   0.38   -0.03  -0.00  
1 1 1 27 19 24 o 2.8393  1.3207 ?       ?         -0.10  -0.05  0.00   -0.00  
1 1 1 27 19 25 o 0.0000  3.0117 ?       ?         0.27   0.08   0.00   0.00   
1 1 1 27 20 0  o 4.3932  0.5432 3.5918  -179.5000 -0.00  0.00   0.00   0.00   
1 1 1 27 20 1  o 10.524  0.1677 10.286  80.500    2.90   1.24   -2.20  -1.61  
1 1 1 27 20 2  o 35.219  0.3470 32.450  1.4000    -0.16  0.39   0.02   0.01   
1 1 1 27 20 3  o 49.671  0.7480 49.773  -58.8000  1.75   2.73   0.03   -0.25  
1 1 1 27 20 4  o 14.671  0.3280 18.306  134.800   -13.08 1.53   -8.41  1.26   
1 1 1 27 20 5  o 13.895  0.1234 12.128  -70.3000  -0.75  -0.40  -0.37  -0.30  
1 1 1 27 20 6  o 19.077  0.3055 16.159  -81.8000  -1.65  -1.87  -0.04  -0.51  
1 1 1 27 20 7  o 12.492  0.3122 9.5795  172.000   -1.98  -2.31  0.03   -0.58  
1 1 1 27 20 8  o 13.031  0.1761 10.848  32.100    0.07   -0.24  0.02   0.04   
1 1 1 27 20 9  o 30.446  0.1932 27.602  -179.7000 -1.11  0.30   -0.08  0.24   
1 1 1 27 20 10 o 8.9911  0.1804 7.7839  160.500   -1.03  0.87   0.19   0.96   
1 1 1 27 20 11 o 9.9622  0.3719 10.699  -147.9000 -5.55  -2.13  -1.80  -1.14  
1 1 1 27 20 12 o 8.0801  0.5081 4.9726  -46.1000  2.51   -3.21  0.07   0.57   
1 1 1 27 20 13 o 10.722  0.3334 10.280  -146.0000 0.21   -1.67  0.19   0.11   
1 1 1 27 20 14 o 18.377  0.1636 18.213  94.200    -0.79  1.34   -0.59  0.49   
1 1 1 27 20 15 o 5.4004  0.8461 3.6859  18.200    -0.15  -0.20  0.00   -0.00  
1 1 1 27 20 16 o 5.3414  0.3235 6.8510  -165.4000 -0.09  0.38   0.03   0.07   
1 1 1 27 20 17 o 12.159  0.6067 11.250  -19.3000  1.92   -2.21  0.13   0.23   
1 1 1 27 20 18 o 6.7996  0.3100 7.3768  42.600    -0.30  0.57   -0.31  0.04   
1 1 1 27 20 19 o 8.8976  0.4545 9.1107  99.800    -1.99  0.78   -0.30  0.01   
1 1 1 27 20 20 o 12.144  0.2166 12.752  -6.8000   -0.23  -0.95  -0.12  -0.12  
1 1 1 27 20 21 o 4.1596  0.5415 3.4641  179.600   -0.29  0.18   0.01   -0.03  
1 1 1 27 20 22 o 5.5488  0.5403 ?       ?         -0.28  0.21   0.01   0.00   
1 1 1 27 20 23 f 7.0636  0.5257 ?       ?         -0.36  0.21   0.01   -0.01  
1 1 1 27 20 24 o 0.0000  2.2909 ?       ?         0.07   0.16   0.00   0.01   
1 1 1 27 20 25 o 9.0294  0.6534 ?       ?         -0.79  2.41   -0.06  -0.03  
1 1 1 27 21 0  o 12.304  0.3322 6.9540  -0.3000   -0.10  0.00   0.00   0.00   
1 1 1 27 21 1  o 26.344  0.6313 32.348  -29.6000  5.77   -2.04  -0.73  0.44   
1 1 1 27 21 2  o 50.676  1.0868 47.135  2.2000    1.92   11.64  1.58   -0.15  
1 1 1 27 21 3  o 20.156  0.1909 14.894  166.300   -0.54  0.04   -0.13  -0.05  
1 1 1 27 21 4  o 7.9847  0.2903 12.783  -106.8000 -2.03  -1.01  -0.22  -0.26  
1 1 1 27 21 5  o 20.446  0.3629 17.315  150.700   -1.79  3.98   0.55   0.90   
1 1 1 27 21 6  o 18.919  0.6867 16.344  84.000    3.33   15.30  2.94   -1.64  
1 1 1 27 21 7  o 31.622  0.3029 25.086  8.9000    1.39   0.22   -0.17  0.01   
1 1 1 27 21 8  o 25.668  0.3221 26.261  -18.5000  1.53   -3.27  0.78   0.50   
1 1 1 27 21 9  o 9.8415  0.1412 9.0522  78.800    0.60   0.01   -0.82  1.04   
1 1 1 27 21 10 f 7.5857  0.1745 7.4088  61.600    -0.08  0.61   0.20   -0.01  
1 1 1 27 21 11 o 10.554  0.1608 11.230  68.500    0.05   0.07   -0.01  -0.01  
1 1 1 27 21 12 o 8.5895  0.2609 6.3119  11.500    1.44   -0.35  -0.26  0.05   
1 1 1 27 21 13 o 17.940  0.1531 17.854  3.0000    -0.49  0.05   0.07   0.18   
1 1 1 27 21 14 o 16.336  0.1739 14.725  -77.8000  0.94   -0.57  -0.36  -0.04  
1 1 1 27 21 15 o 10.564  0.2202 10.408  88.000    0.56   0.36   0.02   -0.08  
1 1 1 27 21 16 o 12.821  0.1830 15.824  134.600   -0.43  0.28   -0.14  -0.04  
1 1 1 27 21 17 o 5.9784  0.4213 5.7472  95.300    -0.07  -0.24  0.01   -0.00  
1 1 1 27 21 18 o 6.9169  0.3041 6.1724  -100.3000 -0.01  -0.02  0.00   0.00   
1 1 1 27 21 19 o 6.5061  0.3345 7.6182  -47.2000  -0.16  0.30   0.02   -0.01  
1 1 1 27 21 20 o 7.0317  0.3753 6.7492  -130.0000 0.15   0.12   0.01   0.00   
1 1 1 27 21 21 o 1.8049  0.9123 2.0086  70.400    0.22   0.08   0.03   -0.01  
1 1 1 27 21 22 o 3.4718  0.8330 ?       ?         0.45   -0.46  0.06   -0.03  
1 1 1 27 21 23 o 5.6781  0.6810 ?       ?         0.31   0.03   -0.00  0.00   
1 1 1 27 21 24 o 9.4838  0.4172 ?       ?         -1.29  0.39   0.06   -0.03  
1 1 1 27 21 25 o 5.8656  2.1230 ?       ?         -0.43  0.11   0.00   0.00   
1 1 1 27 22 0  o 29.310  0.3589 31.867  179.900   0.27   0.00   0.00   0.00   
1 1 1 27 22 1  o 15.642  0.2178 16.109  -89.2000  -0.48  0.45   -0.20  0.30   
1 1 1 27 22 2  o 15.738  0.2346 15.961  67.800    -1.33  0.79   -0.10  0.31   
1 1 1 27 22 3  o 26.484  0.6898 13.892  -121.1000 -4.95  -0.01  -0.49  0.08   
1 1 1 27 22 4  o 16.025  0.1107 18.208  -66.5000  -0.42  0.13   0.00   0.47   
1 1 1 27 22 5  o 25.486  0.2402 23.408  -63.2000  -0.88  -2.01  0.55   -0.28  
1 1 1 27 22 6  o 13.520  0.1203 9.3784  70.100    0.69   0.01   -0.84  -0.83  
1 1 1 27 22 7  o 27.791  0.3007 30.303  67.100    3.74   1.01   -1.22  -0.19  
1 1 1 27 22 8  o 9.5173  0.1526 11.176  -17.8000  0.87   0.16   -0.38  -0.01  
1 1 1 27 22 9  o 4.8175  0.4922 4.3356  8.4000    1.61   0.69   -0.10  -0.09  
1 1 1 27 22 10 o 8.2647  0.1894 6.7485  -75.3000  1.13   -0.62  -0.38  0.30   
1 1 1 27 22 11 o 22.545  0.1609 22.127  -178.5000 -1.10  0.54   0.95   0.66   
1 1 1 27 22 12 o 10.026  0.2266 11.274  40.700    0.37   -0.13  -0.01  0.02   
1 1 1 27 22 13 o 11.534  0.3804 10.359  -46.7000  -0.40  -4.06  0.82   -0.43  
1 1 1 27 22 14 o 27.423  0.1644 29.905  58.700    0.67   1.08   -0.08  0.57   
1 1 1 27 22 15 o 8.1281  0.2373 6.3558  -32.5000  0.97   0.28   0.05   -0.69  
1 1 1 27 22 16 o 4.8899  0.3560 6.6134  -93.8000  -0.06  -0.20  -0.08  0.10   
1 1 1 27 22 17 o 10.817  0.2154 11.444  -31.0000  -0.00  0.16   -0.02  -0.01  
1 1 1 27 22 18 o 4.7071  0.4926 5.2811  129.300   -1.51  0.74   -0.26  0.08   
1 1 1 27 22 19 f 9.9971  0.2437 11.071  -49.2000  0.76   0.37   0.13   0.26   
1 1 1 27 22 20 o 4.5372  0.5255 3.6507  -64.3000  0.17   -0.30  0.02   -0.03  
1 1 1 27 22 21 o 2.3617  1.0964 3.3706  87.100    -0.36  -0.06  0.01   -0.04  
1 1 1 27 22 22 o 4.6592  0.6664 ?       ?         -0.12  -0.42  -0.02  -0.01  
1 1 1 27 22 23 o 7.4539  0.5374 ?       ?         -0.51  -0.60  0.01   0.03   
1 1 1 27 22 24 o 8.4526  0.4281 ?       ?         1.27   1.13   0.04   0.12   
1 1 1 27 22 25 o 6.7762  0.8034 ?       ?         -0.68  0.31   0.00   0.00   
1 1 1 27 23 0  o 24.415  0.3493 20.080  0.1000    -0.11  0.00   0.00   0.00   
1 1 1 27 23 1  o 29.577  0.3067 26.448  -104.8000 -0.51  -0.30  -0.04  -0.02  
1 1 1 27 23 2  o 4.9427  0.5904 6.1813  -2.2000   -1.53  -1.32  -0.10  -0.36  
1 1 1 27 23 3  o 16.593  0.3385 22.296  -70.4000  3.77   2.34   -0.39  -1.44  
1 1 1 27 23 4  o 15.229  0.2224 14.653  164.300   0.18   -3.21  1.41   -0.14  
1 1 1 27 23 5  o 13.682  0.1049 11.529  19.600    -0.74  1.15   0.03   1.40   
1 1 1 27 23 6  o 7.2062  0.1320 9.0194  -78.8000  -0.12  0.26   0.02   0.04   
1 1 1 27 23 7  o 15.455  0.2713 17.685  -62.2000  3.14   -2.13  -0.71  1.07   
1 1 1 27 23 8  o 5.7447  0.2064 6.1648  -132.6000 -0.74  -0.59  0.01   -0.47  
1 1 1 27 23 9  o 31.834  0.1710 33.679  159.200   -0.33  1.83   -0.07  -2.98  
1 1 1 27 23 10 o 9.1094  0.2788 6.3983  103.800   2.79   0.86   -0.94  -0.35  
1 1 1 27 23 11 o 28.003  0.3221 28.712  168.200   -5.88  -2.48  -0.62  -2.66  
1 1 1 27 23 12 o 11.228  0.1655 8.9081  147.900   -0.71  -0.40  -0.36  -0.06  
1 1 1 27 23 13 o 12.199  0.2992 8.9691  -67.6000  0.76   -0.48  0.00   0.08   
1 1 1 27 23 14 o 15.204  0.2852 15.398  -118.4000 2.87   -2.20  -0.86  0.79   
1 1 1 27 23 15 o 6.8531  0.2613 7.7041  -132.7000 -0.19  0.33   -0.02  0.06   
1 1 1 27 23 16 f 15.258  0.1793 13.976  65.900    -0.26  0.26   0.04   -0.03  
1 1 1 27 23 17 o 6.5609  0.2790 7.6790  -90.8000  0.34   -0.53  -0.35  -0.18  
1 1 1 27 23 18 o 18.311  0.3278 19.920  -45.4000  1.84   -0.65  -0.19  -0.13  
1 1 1 27 23 19 o 8.7512  0.3595 9.6036  66.400    0.52   0.20   0.00   -0.03  
1 1 1 27 23 20 o 0.8185  0.9150 1.8765  -95.5000  0.08   -0.05  0.01   -0.00  
1 1 1 27 23 21 o 6.9540  0.3765 6.0738  -31.9000  -0.68  -0.22  -0.01  0.08   
1 1 1 27 23 22 o 5.6760  0.5993 ?       ?         1.28   -0.52  0.08   0.07   
1 1 1 27 23 23 o 4.4833  0.6864 ?       ?         -0.17  -0.89  -0.01  0.04   
1 1 1 27 23 24 o 5.2118  0.7416 ?       ?         -0.42  -0.13  0.00   -0.00  
1 1 1 27 23 25 o 3.8215  1.1097 ?       ?         -0.83  0.21   0.02   0.00   
1 1 1 27 24 0  o 20.945  0.3706 7.4323  -179.7000 -0.43  0.00   0.00   0.00   
1 1 1 27 24 1  o 20.501  0.1868 26.230  -154.0000 -0.72  0.09   -0.43  -0.43  
1 1 1 27 24 2  o 14.627  0.2873 18.208  -116.7000 -0.74  -3.09  1.48   -0.26  
1 1 1 27 24 3  o 35.117  0.7251 31.004  -52.1000  10.09  8.97   0.35   -3.34  
1 1 1 27 24 4  o 15.531  0.9073 20.203  -96.7000  -10.98 -23.25 2.56   -3.39  
1 1 1 27 24 5  o 6.9512  0.1291 8.8800  34.300    0.73   -0.29  -0.30  0.17   
1 1 1 27 24 6  o 26.528  0.1878 30.020  -36.4000  0.40   -3.11  1.82   -0.56  
1 1 1 27 24 7  o 18.715  0.1291 20.569  -166.4000 -0.65  -2.48  2.15   0.01   
1 1 1 27 24 8  o 24.253  0.1526 27.766  107.200   -0.26  0.94   0.07   0.38   
1 1 1 27 24 9  o 8.2378  0.1717 9.3956  140.000   -0.73  0.97   -0.06  0.56   
1 1 1 27 24 10 o 15.456  0.2983 14.543  -49.2000  2.06   -1.18  -0.09  0.43   
1 1 1 27 24 11 o 9.0704  0.3334 7.2113  114.000   -3.57  -0.72  -0.85  -0.68  
1 1 1 27 24 12 o 8.3328  0.2843 5.7975  -90.4000  0.39   -0.91  0.05   0.09   
1 1 1 27 24 13 o 5.2095  0.3016 2.6789  -33.8000  0.99   0.14   -0.22  0.04   
1 1 1 27 24 14 o 14.840  0.1633 13.882  104.500   -0.65  0.24   0.33   0.13   
1 1 1 27 24 15 o 3.7499  0.6278 2.7163  -63.4000  0.15   -1.18  0.12   -0.00  
1 1 1 27 24 16 o 19.820  0.1634 20.896  71.800    -0.74  1.51   -0.69  -0.04  
1 1 1 27 24 17 o 6.1844  0.3297 6.9271  174.400   -0.42  -0.25  -0.04  0.20   
1 1 1 27 24 18 o 3.3927  0.9503 1.7883  -125.7000 -0.18  0.39   0.00   0.02   
1 1 1 27 24 19 o 5.9852  0.3801 6.2260  -31.1000  -0.03  -0.26  -0.01  0.02   
1 1 1 27 24 20 o 6.1832  0.4985 4.6165  26.400    0.50   0.33   -0.03  0.00   
1 1 1 27 24 21 o 4.2008  0.5352 ?       ?         0.15   -0.84  -0.03  0.07   
1 1 1 27 24 22 o 1.7027  1.1704 ?       ?         -0.38  0.22   -0.01  -0.03  
1 1 1 27 24 23 o 7.3647  0.7168 ?       ?         -0.84  -1.25  -0.07  -0.00  
1 1 1 27 24 24 o 5.4035  0.6493 ?       ?         -0.89  -0.78  -0.02  0.02   
1 1 1 27 25 0  o 3.5355  0.7163 2.5421  0.5000    -0.04  0.00   0.00   0.00   
1 1 1 27 25 1  o 19.117  0.1799 17.745  -125.1000 0.05   -0.01  0.01   -0.01  
1 1 1 27 25 2  o 22.743  0.3469 25.894  -85.1000  -0.07  -4.78  1.61   0.41   
1 1 1 27 25 3  o 8.1559  0.2867 9.9969  -58.2000  -0.14  -0.45  0.34   -0.01  
1 1 1 27 25 4  o 18.156  0.6347 17.735  -102.4000 1.04   -9.56  1.50   0.17   
1 1 1 27 25 5  o 17.859  0.2432 13.826  -159.2000 -0.48  -4.09  1.74   0.03   
1 1 1 27 25 6  o 17.179  0.2630 15.677  -64.9000  1.05   -4.02  1.38   0.37   
1 1 1 27 25 7  o 25.777  0.2028 25.976  -167.7000 -1.56  -2.75  1.24   -0.72  
1 1 1 27 25 8  o 11.888  0.2208 14.586  5.3000    1.92   -0.34  -0.36  0.23   
1 1 1 27 25 9  o 11.842  0.1483 12.426  -36.1000  0.09   0.02   0.04   -0.01  
1 1 1 27 25 10 o 13.407  0.1457 14.015  15.400    0.43   -0.04  0.76   -0.08  
1 1 1 27 25 11 o 15.974  0.1574 14.112  -51.0000  1.17   -0.38  -0.47  -0.08  
1 1 1 27 25 12 o 3.6135  0.7139 3.4673  157.300   -0.58  -1.41  0.12   -0.08  
1 1 1 27 25 13 o 3.3320  0.4213 5.0113  -5.0000   0.14   0.31   0.06   -0.01  
1 1 1 27 25 14 o 20.389  0.1529 20.436  -96.0000  -0.34  -0.62  -0.26  0.04   
1 1 1 27 25 15 o 8.4553  0.2402 6.5154  73.200    0.29   0.26   -0.16  0.13   
1 1 1 27 25 16 o 3.6952  0.4718 4.0766  7.8000    -0.02  0.16   0.00   0.01   
1 1 1 27 25 17 o 3.7370  0.4677 3.5223  111.100   0.07   -0.05  -0.00  -0.00  
1 1 1 27 25 18 o 3.5025  0.4928 2.7362  -46.3000  -0.01  0.51   0.00   -0.11  
1 1 1 27 25 19 o 7.1180  0.3592 5.7403  159.100   0.36   0.25   -0.02  0.04   
1 1 1 27 25 20 o 14.072  0.3256 14.068  37.900    2.11   0.62   -0.15  0.20   
1 1 1 27 25 21 o 2.3679  0.9313 ?       ?         -0.03  0.13   -0.00  -0.00  
1 1 1 27 25 22 o 11.010  0.3850 ?       ?         0.08   -0.70  -0.01  0.00   
1 1 1 27 25 23 o 8.2990  0.5894 ?       ?         -0.24  -0.49  -0.00  0.01   
1 1 1 27 25 24 o 8.9692  0.5155 ?       ?         -0.14  2.16   -0.05  -0.03  
1 1 1 27 26 0  o 11.493  0.3256 17.973  -179.9000 -0.12  0.00   0.00   0.00   
1 1 1 27 26 1  o 11.812  0.2193 8.9995  150.100   -0.02  -0.92  0.35   -0.17  
1 1 1 27 26 2  o 22.883  0.3094 26.019  173.700   -3.16  0.99   -1.05  0.21   
1 1 1 27 26 3  o 21.166  0.2116 21.539  24.600    -0.41  -0.87  0.03   -0.18  
1 1 1 27 26 4  o 12.565  0.2682 15.924  -130.3000 -3.14  -3.19  -0.30  -1.81  
1 1 1 27 26 5  o 14.715  0.1538 14.790  5.7000    2.76   1.83   -1.72  -1.83  
1 1 1 27 26 6  o 24.336  0.1399 22.550  140.700   -0.65  0.50   -0.70  -0.05  
1 1 1 27 26 7  o 27.771  0.1699 24.954  32.500    0.19   -0.06  0.03   -0.05  
1 1 1 27 26 8  o 21.954  0.1444 21.579  176.700   -0.21  0.14   0.03   0.02   
1 1 1 27 26 9  o 12.872  0.3203 14.853  165.500   -1.02  -1.61  0.05   -0.22  
1 1 1 27 26 10 o 4.6371  0.2800 4.2105  -12.9000  -0.02  -0.02  0.01   0.01   
1 1 1 27 26 11 o 15.996  0.2265 15.295  -38.1000  1.18   -2.08  0.67   0.30   
1 1 1 27 26 12 o 17.699  0.1619 16.928  31.900    0.60   0.59   -0.22  0.42   
1 1 1 27 26 13 o 11.493  0.1771 11.858  -173.1000 0.40   0.07   -0.01  -0.03  
1 1 1 27 26 14 o 14.508  0.1670 13.076  -38.5000  0.70   -0.92  0.39   0.08   
1 1 1 27 26 15 o 13.377  0.1730 13.864  176.700   -0.35  0.04   -0.00  -0.04  
1 1 1 27 26 16 f 4.7302  0.4708 5.1011  158.900   -0.08  0.17   0.00   0.00   
1 1 1 27 26 17 o 6.5617  0.2982 6.5454  120.900   0.24   0.41   -0.10  -0.04  
1 1 1 27 26 18 o 5.6641  0.3990 4.8169  -44.1000  1.76   -0.79  -0.40  -0.00  
1 1 1 27 26 19 o 3.1289  0.6045 1.6694  -59.3000  0.24   -0.14  -0.02  -0.00  
1 1 1 27 26 20 o 11.747  0.2650 13.047  141.900   -1.10  0.84   -0.10  -0.17  
1 1 1 27 26 21 o 7.8526  0.6429 ?       ?         0.36   -0.27  -0.01  -0.00  
1 1 1 27 26 22 o 4.2689  0.7443 ?       ?         -0.36  0.84   -0.06  -0.01  
1 1 1 27 26 23 o 6.6475  0.5251 ?       ?         1.02   0.08   0.02   0.02   
1 1 1 27 26 24 o 0.5500  1.1347 ?       ?         -0.19  -0.30  -0.00  0.01   
1 1 1 27 27 0  o 20.013  0.4399 23.870  -0.0000   0.36   0.00   0.00   0.00   
1 1 1 27 27 1  o 4.0988  0.6461 5.7277  -89.5000  0.00   0.03   0.00   0.00   
1 1 1 27 27 2  o 13.802  0.4319 10.843  -0.2000   -0.12  0.00   0.00   0.00   
1 1 1 27 27 3  o 22.581  0.3123 21.600  90.000    -0.00  -0.07  0.00   0.00   
1 1 1 27 27 4  o 17.297  0.2000 12.964  180.000   -0.24  0.00   0.00   0.00   
1 1 1 27 27 5  o 30.285  0.2310 24.471  -89.9000  0.00   0.29   0.00   0.00   
1 1 1 27 27 6  o 7.1414  0.1975 6.9409  -0.1000   -0.02  0.00   0.00   0.00   
1 1 1 27 27 7  o 18.523  0.1871 21.062  90.000    0.00   0.10   0.00   0.00   
1 1 1 27 27 8  o 9.2412  0.2680 2.7778  179.800   -0.08  0.00   0.00   0.00   
1 1 1 27 27 9  f 22.410  0.2122 25.991  -90.0000  -0.00  -1.55  0.00   0.00   
1 1 1 27 27 10 o 28.791  0.2888 20.872  180.000   0.83   0.00   0.00   0.00   
1 1 1 27 27 11 o 15.754  0.2283 17.944  -90.0000  0.00   0.10   0.00   0.00   
1 1 1 27 27 12 o 12.398  0.2141 11.825  0.0000    0.01   0.00   0.00   0.00   
1 1 1 27 27 13 o 10.320  0.3103 9.9004  -90.0000  0.00   0.18   0.00   0.00   
1 1 1 27 27 14 o 14.181  0.2324 12.399  -0.0000   0.36   0.00   0.00   0.00   
1 1 1 27 27 15 o 9.4128  0.3530 5.7335  -90.0000  -0.00  -0.30  0.00   0.00   
1 1 1 27 27 16 o 2.5884  0.7407 1.8406  -180.0000 0.08   0.00   0.00   0.00   
1 1 1 27 27 17 o 10.821  0.3316 10.057  90.000    0.00   0.32   0.00   0.00   
1 1 1 27 27 18 o 8.3726  0.4040 7.1101  180.000   -0.27  0.00   0.00   0.00   
1 1 1 27 27 19 f 5.1381  0.6515 5.1641  -90.0000  0.00   0.26   0.00   0.00   
1 1 1 27 27 20 o 2.5100  1.0136 2.1225  180.000   -0.10  0.00   0.00   0.00   
1 1 1 27 27 21 o 0.0000  3.2404 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 27 27 22 o 5.9582  0.8192 ?       ?         -0.25  0.00   0.00   0.00   
1 1 1 27 27 23 o 0.0000  3.4929 ?       ?         0.00   0.18   0.00   0.00   
1 1 1 27 27 24 o 13.871  0.5508 ?       ?         3.40   0.00   0.00   0.00   
1 1 1 28 0  0  o 6.2370  0.4127 13.761  0.3000    0.00   0.00   0.00   0.00   
1 1 1 28 0  1  o 13.394  0.2312 0.9349  -46.1000  -0.00  0.00   0.00   0.00   
1 1 1 28 0  2  o 15.852  0.1685 17.413  90.100    0.00   0.15   0.00   0.00   
1 1 1 28 0  3  o 14.422  0.1983 13.288  -135.3000 0.03   0.03   0.00   0.00   
1 1 1 28 0  4  o 14.717  0.2077 9.3008  179.800   0.17   0.00   0.00   0.00   
1 1 1 28 0  5  o 10.564  0.2225 8.5259  -45.0000  0.04   -0.04  0.00   0.00   
1 1 1 28 0  6  f 39.862  0.2741 33.987  90.100    0.00   0.35   0.00   0.00   
1 1 1 28 0  7  o 21.244  0.2167 28.295  -135.1000 -0.11  -0.11  0.00   0.00   
1 1 1 28 0  8  o 37.292  0.2570 34.060  180.000   -0.27  0.00   0.00   0.00   
1 1 1 28 0  9  o 39.914  0.2737 43.875  135.000   -0.32  0.32   0.00   0.00   
1 1 1 28 0  10 o 65.915  0.4326 61.963  -90.0000  -0.00  -1.09  0.00   0.00   
1 1 1 28 0  11 o 13.939  0.1911 22.508  45.100    -0.00  -0.00  0.00   0.00   
1 1 1 28 0  12 f 7.2180  0.2927 11.902  -0.1000   -0.17  0.00   0.00   0.00   
1 1 1 28 0  13 o 2.8461  0.5982 0.4686  -43.4000  0.00   -0.00  0.00   0.00   
1 1 1 28 0  14 o 14.328  0.2132 17.461  90.100    0.00   0.13   0.00   0.00   
1 1 1 28 0  15 o 20.637  0.2182 24.387  45.000    0.00   0.00   0.00   0.00   
1 1 1 28 0  16 o 15.323  0.2976 13.547  -0.0000   0.33   0.00   0.00   0.00   
1 1 1 28 0  17 o 38.394  0.3113 34.548  135.000   -0.32  0.32   0.00   0.00   
1 1 1 28 0  18 o 15.067  0.2513 13.475  90.000    0.00   0.48   0.00   0.00   
1 1 1 28 0  19 o 4.6904  0.5157 2.3968  45.000    -0.05  -0.05  0.00   0.00   
1 1 1 28 0  20 o 9.5499  0.3288 9.2038  0.0000    0.32   0.00   0.00   0.00   
1 1 1 28 0  21 o 9.6850  0.3293 6.7807  -45.0000  -0.02  0.02   0.00   0.00   
1 1 1 28 0  22 o 3.0000  0.9207 2.7886  -90.0000  -0.00  -0.06  0.00   0.00   
1 1 1 28 0  23 o 6.7528  0.4697 6.5431  -135.0000 -0.36  -0.36  0.00   0.00   
1 1 1 28 0  24 o 4.5497  0.9905 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 28 0  25 o 4.6476  1.6481 ?       ?         -0.17  0.17   0.00   0.00   
1 1 1 28 1  0  o 58.640  0.3543 67.925  -180.0000 -0.69  0.00   0.00   0.00   
1 1 1 28 1  1  o 51.986  0.2274 53.513  -45.3000  -0.29  -2.50  0.88   -0.94  
1 1 1 28 1  2  o 46.690  0.3409 45.154  150.200   1.78   0.73   -0.30  -0.14  
1 1 1 28 1  3  o 21.963  0.5145 24.400  -1.3000   8.59   1.58   -1.85  -0.86  
1 1 1 28 1  4  f 11.034  0.7442 10.970  -25.8000  17.65  5.39   -3.46  -2.47  
1 1 1 28 1  5  o 28.984  0.1545 30.835  75.800    -0.00  0.20   0.04   0.05   
1 1 1 28 1  6  f 12.976  0.2500 15.242  -159.8000 -0.38  0.19   -0.02  0.02   
1 1 1 28 1  7  o 26.287  0.4618 23.583  -139.2000 -9.24  -0.89  -3.15  -1.07  
1 1 1 28 1  8  o 13.069  0.5006 13.741  76.100    1.22   5.59   1.00   -0.38  
1 1 1 28 1  9  o 18.065  0.3521 17.329  -122.0000 -2.39  -1.27  -0.25  -0.53  
1 1 1 28 1  10 o 33.530  0.1729 33.632  -125.7000 0.05   0.26   -0.10  0.27   
1 1 1 28 1  11 o 11.395  0.3421 11.718  180.000   -3.39  2.52   -0.47  1.13   
1 1 1 28 1  12 o 17.011  0.1612 16.732  154.100   0.03   0.15   -0.18  -0.05  
1 1 1 28 1  13 o 6.4467  0.2436 7.0097  77.700    -0.02  0.09   -0.02  0.10   
1 1 1 28 1  14 o 15.452  0.1548 10.180  -139.6000 -0.58  -0.39  -0.20  -0.12  
1 1 1 28 1  15 o 10.455  0.1805 12.960  -118.5000 -0.52  0.08   -0.07  0.06   
1 1 1 28 1  16 o 3.4982  0.6652 1.7439  -179.9000 -1.34  -0.89  -0.06  -0.23  
1 1 1 28 1  17 o 12.706  0.3942 6.1536  -28.2000  -0.47  -1.25  0.11   -0.04  
1 1 1 28 1  18 o 2.6228  0.5435 0.5543  157.500   -0.09  0.02   -0.01  -0.00  
1 1 1 28 1  19 o 5.9145  0.3345 5.9842  137.300   0.18   -0.04  -0.01  -0.01  
1 1 1 28 1  20 o 12.240  0.2710 12.701  14.400    -0.30  0.82   -0.01  0.10   
1 1 1 28 1  21 o 13.195  0.1969 12.933  -173.7000 -0.22  -0.80  -0.24  -0.04  
1 1 1 28 1  22 o 4.3315  0.5606 2.2357  -62.9000  -0.49  -0.10  -0.01  -0.03  
1 1 1 28 1  23 f 5.3377  0.4148 4.9683  -70.5000  -0.25  -0.10  -0.01  0.01   
1 1 1 28 1  24 o 3.3660  0.7588 ?       ?         -0.35  -0.42  -0.00  0.09   
1 1 1 28 1  25 o 8.6503  0.6259 ?       ?         -0.57  -1.05  -0.03  -0.00  
1 1 1 28 2  0  o 104.952 0.6035 102.338 -180.0000 -0.29  0.00   0.00   0.00   
1 1 1 28 2  1  o 43.596  0.2544 32.845  -107.8000 2.95   -1.80  -1.34  1.15   
1 1 1 28 2  2  o 39.236  0.3715 41.569  -83.7000  1.50   -5.29  1.48   1.48   
1 1 1 28 2  3  o 39.319  0.3059 45.888  83.000    0.48   2.21   0.41   -0.36  
1 1 1 28 2  4  o 10.245  0.6512 13.560  95.000    -10.40 18.84  3.55   5.98   
1 1 1 28 2  5  o 12.862  0.5117 11.576  72.200    6.94   4.35   -0.94  -1.72  
1 1 1 28 2  6  o 19.601  0.1235 25.348  -21.5000  0.43   0.58   1.44   -0.50  
1 1 1 28 2  7  o 29.885  0.1580 25.700  67.500    1.72   1.06   -2.71  -1.16  
1 1 1 28 2  8  o 31.865  0.2103 29.716  -151.0000 0.15   -2.42  1.08   0.66   
1 1 1 28 2  9  o 13.520  0.2677 19.721  107.400   -1.96  1.20   -0.23  0.69   
1 1 1 28 2  10 o 38.732  0.2189 37.270  -120.3000 -0.24  0.73   0.04   0.21   
1 1 1 28 2  11 o 18.782  0.3038 15.998  -132.6000 -1.68  -0.18  -0.23  -0.01  
1 1 1 28 2  12 o 22.708  0.1514 23.025  117.800   -0.08  0.45   -0.10  -0.74  
1 1 1 28 2  13 f 17.307  0.2125 16.244  -32.1000  -0.25  1.94   0.53   0.32   
1 1 1 28 2  14 o 20.454  0.1471 19.250  113.500   0.09   -0.08  -0.00  0.00   
1 1 1 28 2  15 o 15.369  0.5050 13.271  170.100   -4.91  -5.11  -0.22  -1.61  
1 1 1 28 2  16 o 14.741  0.1754 11.744  -34.2000  0.25   0.76   0.17   0.00   
1 1 1 28 2  17 o 11.982  0.2705 11.372  30.900    1.52   0.64   -0.32  -0.11  
1 1 1 28 2  18 o 11.078  0.1983 8.4150  -111.2000 -0.11  -0.10  -0.03  0.01   
1 1 1 28 2  19 o 4.1633  0.7226 2.7131  0.6000    -0.63  -0.32  -0.01  -0.04  
1 1 1 28 2  20 o 7.2504  0.2912 8.0304  106.400   0.14   -0.38  0.06   -0.03  
1 1 1 28 2  21 o 6.8661  0.3350 7.7489  104.200   0.18   0.15   -0.03  0.02   
1 1 1 28 2  22 o 13.517  0.2099 13.140  126.200   -1.08  -0.21  0.14   -0.14  
1 1 1 28 2  23 o 4.9800  0.4672 4.5222  -123.8000 0.08   0.29   -0.02  0.03   
1 1 1 28 2  24 o 7.2127  0.5284 ?       ?         -1.35  1.58   -0.29  0.05   
1 1 1 28 2  25 o 7.8403  1.1707 ?       ?         -0.62  -0.26  0.01   -0.01  
1 1 1 28 3  0  o 33.302  0.2518 37.888  -0.0000   0.30   0.00   0.00   0.00   
1 1 1 28 3  1  o 10.350  0.8279 13.291  -86.4000  -10.34 -21.70 3.61   -4.65  
1 1 1 28 3  2  o 13.136  0.5460 10.465  -112.8000 -10.98 -0.89  -2.54  -0.51  
1 1 1 28 3  3  f 20.023  0.1565 29.009  -142.7000 0.39   0.08   -0.64  1.90   
1 1 1 28 3  4  o 19.932  0.1263 23.791  -136.9000 -1.80  1.12   -0.35  1.82   
1 1 1 28 3  5  o 45.026  0.2057 45.188  -122.4000 -0.45  -1.10  0.06   -0.47  
1 1 1 28 3  6  o 7.7591  0.4253 5.1447  -95.2000  -1.66  -1.09  -0.09  -0.19  
1 1 1 28 3  7  o 14.841  0.1294 12.188  -157.6000 -0.01  -0.33  0.25   0.18   
1 1 1 28 3  8  o 15.482  0.1779 14.067  -66.2000  0.74   0.15   -1.55  0.94   
1 1 1 28 3  9  o 69.934  0.3030 64.912  132.600   -0.17  2.36   0.09   -1.38  
1 1 1 28 3  10 o 34.950  0.1909 35.388  -154.0000 -0.48  0.82   -0.05  0.25   
1 1 1 28 3  11 o 10.681  0.6282 12.040  45.700    8.63   3.09   -1.23  -1.11  
1 1 1 28 3  12 o 24.852  0.5603 20.850  42.600    4.63   5.53   0.46   -1.30  
1 1 1 28 3  13 o 13.847  0.1908 10.300  62.100    -0.04  0.10   -0.06  -0.09  
1 1 1 28 3  14 o 6.1967  0.2501 8.2937  108.800   -0.40  0.10   -0.05  0.05   
1 1 1 28 3  15 o 22.953  0.2104 22.238  44.600    2.74   -0.08  -1.03  0.81   
1 1 1 28 3  16 o 12.604  0.3348 13.454  150.700   -0.90  1.63   0.20   0.17   
1 1 1 28 3  17 o 12.707  0.1776 12.189  -75.3000  -0.12  -1.39  0.35   -0.51  
1 1 1 28 3  18 o 10.086  0.2231 12.308  -75.2000  1.56   -0.37  -0.95  -0.33  
1 1 1 28 3  19 o 19.233  0.3234 21.416  -95.2000  -0.02  -1.92  0.20   0.27   
1 1 1 28 3  20 o 4.8129  0.4078 5.0627  -41.5000  -0.09  0.10   0.02   -0.01  
1 1 1 28 3  21 o 5.3673  0.5143 4.0295  77.100    0.15   0.68   0.05   0.01   
1 1 1 28 3  22 o 12.055  0.2205 11.022  115.500   -0.17  0.76   -0.05  0.08   
1 1 1 28 3  23 o 6.5221  0.5219 4.8305  -135.9000 -0.02  -0.89  0.03   0.05   
1 1 1 28 3  24 o 6.7665  0.4904 ?       ?         -0.44  0.18   -0.00  -0.03  
1 1 1 28 3  25 o 3.6953  1.4413 ?       ?         0.27   0.19   -0.00  0.01   
1 1 1 28 4  0  o 7.0000  0.1810 7.4383  -179.8000 -0.08  0.00   0.00   0.00   
1 1 1 28 4  1  o 17.774  0.1193 16.127  107.300   0.44   0.74   -0.67  -3.04  
1 1 1 28 4  2  o 26.401  0.1396 27.172  87.100    0.09   0.01   -0.02  0.02   
1 1 1 28 4  3  o 20.180  0.1338 18.343  38.600    0.09   -0.00  -0.01  -0.00  
1 1 1 28 4  4  o 17.074  0.1496 16.609  -141.5000 0.39   0.31   -0.32  -0.34  
1 1 1 28 4  5  o 16.270  0.5074 18.701  65.200    6.44   4.23   -0.56  -1.53  
1 1 1 28 4  6  o 27.456  0.3069 25.755  -93.9000  1.87   -3.08  0.31   1.29   
1 1 1 28 4  7  o 11.111  0.3901 8.7638  50.000    4.64   1.73   -1.00  -0.76  
1 1 1 28 4  8  o 60.109  0.3855 58.488  12.000    1.35   3.28   1.21   -0.02  
1 1 1 28 4  9  o 20.715  0.1313 23.944  -92.1000  -3.16  -0.83  -4.40  -0.81  
1 1 1 28 4  10 o 19.832  0.2581 13.858  -120.9000 -0.51  -3.26  1.27   -0.82  
1 1 1 28 4  11 o 23.499  0.1461 19.756  -111.3000 -1.29  -0.73  -0.82  -0.48  
1 1 1 28 4  12 o 31.388  0.1712 27.204  -41.2000  -0.04  -0.13  0.00   -0.01  
1 1 1 28 4  13 o 8.4523  0.1933 10.859  155.900   -1.02  -0.11  -1.04  -0.82  
1 1 1 28 4  14 o 2.4741  0.5026 0.5471  -179.1000 -0.39  0.02   -0.19  -0.06  
1 1 1 28 4  15 o 9.7131  0.3496 10.740  -34.3000  1.49   -0.37  -0.17  0.05   
1 1 1 28 4  16 o 4.1548  0.3556 3.1921  -93.6000  -0.07  0.14   0.05   0.01   
1 1 1 28 4  17 o 10.446  0.2017 9.0972  -126.0000 0.40   0.44   -0.09  -0.11  
1 1 1 28 4  18 o 8.4336  0.2468 7.5532  -27.8000  -0.25  -0.21  -0.16  0.02   
1 1 1 28 4  19 o 14.275  0.3960 14.864  103.800   -0.21  0.89   0.06   -0.01  
1 1 1 28 4  20 o 14.021  0.2068 13.649  163.200   -0.12  -0.29  -0.05  0.01   
1 1 1 28 4  21 o 6.5224  0.6107 7.2112  97.500    -0.73  0.46   0.00   0.04   
1 1 1 28 4  22 o 12.338  0.2282 12.955  14.800    1.01   0.47   -0.12  0.17   
1 1 1 28 4  23 o 4.4055  0.5538 4.4028  123.500   0.39   -0.00  -0.01  0.02   
1 1 1 28 4  24 o 3.1921  0.7283 ?       ?         -0.19  0.14   0.01   -0.01  
1 1 1 28 4  25 o 5.5761  2.3782 ?       ?         -0.53  0.24   -0.01  -0.01  
1 1 1 28 5  0  o 5.3385  0.2245 11.067  0.1000    0.01   0.00   0.00   0.00   
1 1 1 28 5  1  f 21.537  0.3534 25.245  89.500    -1.86  2.70   0.16   0.58   
1 1 1 28 5  2  o 16.699  0.6266 27.542  -161.6000 -12.77 6.39   -2.09  2.57   
1 1 1 28 5  3  o 16.562  0.1645 11.118  -160.9000 1.71   2.44   0.36   -2.98  
1 1 1 28 5  4  o 40.715  0.7004 39.486  34.000    10.24  0.75   -2.00  -0.01  
1 1 1 28 5  5  o 20.691  0.6052 14.302  -57.4000  2.92   -6.39  0.72   1.00   
1 1 1 28 5  6  o 23.451  0.1607 21.546  -7.9000   -0.27  -1.01  1.21   0.28   
1 1 1 28 5  7  o 17.219  0.3549 7.8576  11.600    5.55   5.29   0.41   -4.55  
1 1 1 28 5  8  o 44.559  0.2259 50.880  109.500   -0.34  0.83   -0.99  0.11   
1 1 1 28 5  9  o 39.678  0.1933 40.882  81.000    -0.57  1.48   0.16   0.57   
1 1 1 28 5  10 o 20.290  0.7126 27.864  -177.1000 -7.37  -5.37  -0.57  -1.34  
1 1 1 28 5  11 o 19.869  0.1966 20.739  165.100   -0.54  -0.10  -0.05  -0.03  
1 1 1 28 5  12 o 13.607  0.1777 16.899  -90.1000  0.11   -0.21  -0.28  0.19   
1 1 1 28 5  13 o 28.188  0.1718 31.053  -96.2000  0.79   -1.25  -1.75  1.13   
1 1 1 28 5  14 o 22.117  0.1686 23.186  175.600   -0.52  0.28   0.17   0.21   
1 1 1 28 5  15 f 17.172  0.2560 17.063  -154.4000 -2.58  -1.94  0.13   -1.08  
1 1 1 28 5  16 f 20.903  0.1964 17.172  52.800    1.12   -0.76  -0.32  0.13   
1 1 1 28 5  17 o 6.8494  0.2615 5.4495  121.800   0.36   1.15   0.20   -0.44  
1 1 1 28 5  18 o 6.2036  0.6456 5.0183  -29.8000  0.95   1.67   0.05   -0.13  
1 1 1 28 5  19 o 12.489  0.1999 13.504  102.600   -0.22  0.21   0.04   -0.07  
1 1 1 28 5  20 o 12.233  0.1970 12.048  15.100    0.46   -0.52  0.17   -0.02  
1 1 1 28 5  21 o 15.448  0.2312 15.433  -48.1000  0.30   -0.29  0.02   0.00   
1 1 1 28 5  22 o 8.3450  0.6220 6.4096  19.900    -0.03  -3.40  0.41   -0.31  
1 1 1 28 5  23 o 5.4063  0.4755 5.6946  161.800   -0.24  0.49   -0.05  -0.08  
1 1 1 28 5  24 o 3.4279  0.7850 ?       ?         -0.36  0.51   -0.08  -0.02  
1 1 1 28 5  25 o 1.6432  1.3669 ?       ?         0.14   -0.17  0.00   -0.01  
1 1 1 28 6  0  o 4.6583  0.2152 3.9109  0.8000    0.02   0.00   0.00   0.00   
1 1 1 28 6  1  o 14.325  0.1366 14.715  -64.3000  -0.57  0.30   -0.76  0.47   
1 1 1 28 6  2  o 17.896  0.2650 16.863  21.600    0.73   -0.38  -0.03  0.05   
1 1 1 28 6  3  o 48.236  0.3733 47.424  -66.6000  0.45   -1.54  0.20   0.04   
1 1 1 28 6  4  o 7.1877  0.4279 7.8610  -12.2000  5.25   -4.13  -0.48  1.75   
1 1 1 28 6  5  o 42.532  0.2312 46.791  128.900   -0.16  0.81   0.05   0.29   
1 1 1 28 6  6  o 36.702  0.3323 29.812  -14.4000  2.60   -1.46  -0.66  0.54   
1 1 1 28 6  7  o 17.619  0.3417 15.167  178.500   -2.93  -7.39  2.65   -3.15  
1 1 1 28 6  8  o 22.089  0.1524 20.447  109.900   -1.05  0.43   -0.83  0.16   
1 1 1 28 6  9  o 21.048  0.1408 18.090  1.3000    0.14   0.10   -0.03  0.37   
1 1 1 28 6  10 o 7.4754  0.2798 11.215  165.000   -1.29  -1.05  -0.04  -0.41  
1 1 1 28 6  11 o 20.555  0.1610 19.943  76.100    -0.84  0.14   -0.38  -0.07  
1 1 1 28 6  12 o 19.583  0.3154 20.880  -46.4000  2.72   3.13   0.49   -1.31  
1 1 1 28 6  13 o 31.989  0.2367 35.397  47.800    0.26   -0.18  -0.01  0.01   
1 1 1 28 6  14 o 15.668  0.1547 12.026  61.800    -0.20  0.22   -0.27  -0.22  
1 1 1 28 6  15 o 11.479  0.3032 13.751  -94.9000  -0.33  -6.37  3.17   0.43   
1 1 1 28 6  16 o 14.237  0.3832 15.990  132.300   -3.06  0.09   -0.60  -0.23  
1 1 1 28 6  17 o 6.9590  0.2646 7.8978  141.300   -0.36  0.79   0.18   0.07   
1 1 1 28 6  18 o 7.7485  0.5051 6.7484  -1.2000   2.09   0.80   -0.14  -0.21  
1 1 1 28 6  19 o 4.3785  1.4738 5.0412  -163.6000 0.21   -0.86  0.02   0.01   
1 1 1 28 6  20 o 5.4327  0.3829 5.4970  -24.7000  -0.10  0.59   0.09   -0.19  
1 1 1 28 6  21 o 18.969  0.1805 17.225  131.100   -1.79  0.14   0.18   -0.46  
1 1 1 28 6  22 o 10.394  0.2511 10.814  83.800    0.06   1.35   -0.13  0.41   
1 1 1 28 6  23 o 3.0246  0.7241 2.8341  -42.4000  0.07   -0.26  -0.00  -0.03  
1 1 1 28 6  24 o 6.2413  0.5929 ?       ?         -0.17  -0.29  -0.01  0.01   
1 1 1 28 6  25 o 9.1595  0.6441 ?       ?         1.80   0.40   0.03   -0.04  
1 1 1 28 7  0  o 16.465  0.1505 7.8327  -179.9000 0.04   0.00   0.00   0.00   
1 1 1 28 7  1  o 17.999  1.2647 18.450  -127.8000 -47.48 -28.96 -5.16  -10.64 
1 1 1 28 7  2  o 26.151  0.7230 21.383  128.400   -17.10 -7.68  -3.78  -3.66  
1 1 1 28 7  3  o 41.381  0.2287 40.350  35.800    0.64   1.01   0.29   -0.18  
1 1 1 28 7  4  o 46.631  0.7730 46.766  -68.1000  -0.97  -6.15  0.60   -0.31  
1 1 1 28 7  5  o 19.843  0.1273 23.109  -10.3000  0.01   -0.57  0.51   -0.58  
1 1 1 28 7  6  o 21.832  0.1382 27.589  2.7000    -0.42  1.28   1.05   0.17   
1 1 1 28 7  7  o 31.491  0.2262 36.326  54.300    -1.48  2.49   1.34   1.01   
1 1 1 28 7  8  o 14.619  0.1632 18.371  148.400   -1.01  -1.06  0.22   -0.70  
1 1 1 28 7  9  o 19.135  0.2955 15.445  -38.7000  2.97   2.37   -0.10  -1.07  
1 1 1 28 7  10 o 15.894  0.4129 15.414  -6.4000   1.84   -2.65  0.26   0.48   
1 1 1 28 7  11 o 34.121  0.2490 27.977  -92.4000  -0.43  -2.92  1.25   0.23   
1 1 1 28 7  12 f 13.007  0.1408 14.736  175.800   -0.40  0.28   0.33   0.56   
1 1 1 28 7  13 o 25.486  0.3092 27.180  -139.5000 2.38   -1.02  -0.45  0.23   
1 1 1 28 7  14 o 9.6071  0.1887 7.2538  175.400   0.35   0.70   0.42   -0.17  
1 1 1 28 7  15 o 6.4701  0.2302 4.7703  -108.8000 0.15   -0.05  0.18   0.08   
1 1 1 28 7  16 o 8.7464  0.3653 7.2733  63.200    0.42   2.35   0.51   -0.01  
1 1 1 28 7  17 o 6.7448  0.4549 6.7544  169.100   -0.28  0.20   -0.00  0.01   
1 1 1 28 7  18 o 5.8353  0.3173 7.8585  65.200    0.20   0.57   -0.26  -0.55  
1 1 1 28 7  19 o 9.8406  0.2360 8.8249  25.600    1.18   0.67   -0.32  -0.08  
1 1 1 28 7  20 o 9.7430  0.2378 8.7944  137.800   -0.06  0.57   0.05   -0.08  
1 1 1 28 7  21 o 2.5671  0.6350 3.0851  168.600   0.02   0.17   -0.03  -0.02  
1 1 1 28 7  22 o 6.4434  0.3914 7.1001  -54.1000  0.26   0.45   0.04   0.01   
1 1 1 28 7  23 o 3.8826  0.6023 4.8978  58.600    -0.34  0.43   -0.06  0.02   
1 1 1 28 7  24 o 6.0863  0.5278 ?       ?         0.36   0.11   -0.00  0.01   
1 1 1 28 7  25 o 3.4867  0.9878 ?       ?         -0.18  -0.02  0.00   0.00   
1 1 1 28 8  0  o 9.6021  0.1739 0.2793  -168.4000 -0.01  0.00   0.00   0.00   
1 1 1 28 8  1  o 10.577  0.1153 10.871  136.000   -0.18  -0.23  -0.24  -0.57  
1 1 1 28 8  2  o 9.6244  0.2890 2.3905  90.200    -4.33  2.22   -1.19  1.46   
1 1 1 28 8  3  o 18.283  0.2230 25.167  54.900    -0.77  7.06   6.59   2.54   
1 1 1 28 8  4  o 29.193  0.1716 23.556  -12.0000  0.72   1.47   0.78   -0.35  
1 1 1 28 8  5  o 37.018  0.2752 37.080  32.500    4.46   -2.11  -0.85  3.41   
1 1 1 28 8  6  o 19.511  0.1543 15.077  164.000   -0.26  1.27   0.64   0.66   
1 1 1 28 8  7  o 20.890  0.8164 25.007  20.500    13.43  1.45   -2.01  -0.56  
1 1 1 28 8  8  o 24.702  0.1735 18.475  33.200    0.06   -0.15  0.00   0.01   
1 1 1 28 8  9  o 8.0347  0.1967 11.336  82.000    0.29   1.03   0.19   -0.15  
1 1 1 28 8  10 o 18.935  0.1516 19.096  -119.9000 0.91   -1.01  -2.21  2.15   
1 1 1 28 8  11 o 10.695  0.1494 9.8092  -17.4000  -0.83  -0.10  -0.54  -0.36  
1 1 1 28 8  12 o 20.636  0.2097 23.085  92.100    0.31   1.70   0.37   -0.33  
1 1 1 28 8  13 o 14.110  0.1570 10.555  179.000   -0.85  0.34   0.22   1.62   
1 1 1 28 8  14 o 32.967  0.2824 36.008  103.800   -1.53  1.10   -0.34  0.17   
1 1 1 28 8  15 f 3.9603  0.3743 4.3313  91.800    0.05   0.09   -0.02  -0.03  
1 1 1 28 8  16 o 5.5071  0.2911 5.5539  -90.0000  -0.16  0.22   -0.11  0.08   
1 1 1 28 8  17 o 2.3182  0.5626 3.5376  95.800    -0.14  -0.15  -0.01  -0.03  
1 1 1 28 8  18 o 14.126  0.1860 14.985  -122.4000 -0.06  0.57   -0.25  0.22   
1 1 1 28 8  19 o 10.995  0.2289 11.969  160.700   0.46   0.33   0.22   0.13   
1 1 1 28 8  20 o 3.7081  0.6284 3.8426  78.600    0.18   -0.56  0.04   0.01   
1 1 1 28 8  21 o 8.6814  0.3121 6.2423  -9.3000   -0.19  0.31   -0.01  0.01   
1 1 1 28 8  22 o 5.1663  0.4090 5.0734  -25.7000  -0.21  -0.23  -0.01  -0.01  
1 1 1 28 8  23 o 5.0461  0.5500 5.3936  -99.2000  -0.46  -0.50  0.02   0.12   
1 1 1 28 8  24 o 5.8533  0.9014 ?       ?         -0.06  0.01   0.00   0.00   
1 1 1 28 8  25 o 6.3138  0.8673 ?       ?         0.04   0.14   -0.00  -0.00  
1 1 1 28 9  0  o 52.630  0.3267 42.382  180.000   -0.57  0.00   0.00   0.00   
1 1 1 28 9  1  f 21.229  0.1273 20.631  -94.6000  -0.01  -0.42  0.17   -0.10  
1 1 1 28 9  2  o 31.125  0.3221 36.613  11.400    2.89   -0.93  -0.47  0.51   
1 1 1 28 9  3  o 20.100  0.5694 12.987  51.000    9.70   6.42   -0.89  -2.51  
1 1 1 28 9  4  o 46.550  0.5111 48.819  12.600    4.34   2.63   -0.17  -1.20  
1 1 1 28 9  5  o 31.900  0.1800 32.462  -114.3000 -1.17  -0.80  0.30   -0.91  
1 1 1 28 9  6  o 27.528  0.3025 29.178  158.600   -2.16  2.83   0.50   0.96   
1 1 1 28 9  7  f 26.269  0.1510 25.051  -28.3000  -0.36  -0.03  0.16   -0.41  
1 1 1 28 9  8  o 46.352  0.4113 34.993  5.0000    2.39   4.06   1.35   -0.93  
1 1 1 28 9  9  o 8.1640  0.4480 10.414  -8.4000   4.93   -1.07  -0.90  0.36   
1 1 1 28 9  10 o 19.347  0.1521 18.241  72.700    0.26   -0.07  0.01   0.17   
1 1 1 28 9  11 o 24.294  0.6518 24.600  91.700    1.64   5.78   0.54   -0.44  
1 1 1 28 9  12 o 25.279  0.3123 23.995  117.000   0.05   3.21   0.74   -0.27  
1 1 1 28 9  13 o 20.872  0.5495 17.546  18.800    0.19   11.16  2.67   0.28   
1 1 1 28 9  14 o 37.248  0.4438 42.033  67.100    -0.77  2.49   0.12   0.29   
1 1 1 28 9  15 o 3.5717  0.4141 5.6040  152.100   0.66   0.14   -0.07  -0.05  
1 1 1 28 9  16 o 7.9823  0.2903 9.2415  141.300   -1.76  0.19   -0.47  -0.09  
1 1 1 28 9  17 o 3.5369  0.4496 4.8516  62.500    -0.14  0.09   0.05   0.03   
1 1 1 28 9  18 o 22.569  0.3256 25.987  -87.6000  -1.82  -1.51  0.21   -0.33  
1 1 1 28 9  19 o 6.1594  0.4679 7.5342  78.700    -1.47  1.04   -0.22  0.20   
1 1 1 28 9  20 o 6.6784  0.3269 5.7744  35.200    0.18   0.01   0.03   0.01   
1 1 1 28 9  21 o 3.3225  0.5490 2.4056  -44.2000  -0.25  -0.17  0.03   -0.03  
1 1 1 28 9  22 o 3.2663  1.4714 2.2909  -112.4000 0.06   -0.04  -0.00  0.00   
1 1 1 28 9  23 o 8.0098  0.3423 8.3405  114.700   -0.13  0.40   0.01   -0.03  
1 1 1 28 9  24 o 5.8732  0.5486 ?       ?         0.52   -0.50  -0.03  -0.02  
1 1 1 28 9  25 o 2.2252  1.2396 ?       ?         -0.08  -0.14  -0.00  0.00   
1 1 1 28 10 0  o 16.598  0.1611 6.7667  179.900   0.18   0.00   0.00   0.00   
1 1 1 28 10 1  o 37.669  0.1808 41.703  -144.8000 -1.97  1.24   0.01   1.33   
1 1 1 28 10 2  o 13.608  0.4877 5.4568  -136.0000 -2.14  -5.95  1.03   -0.75  
1 1 1 28 10 3  o 18.358  0.5820 18.821  156.200   -5.15  7.38   0.80   1.76   
1 1 1 28 10 4  o 18.622  0.2070 15.623  179.900   -0.10  1.88   0.71   0.26   
1 1 1 28 10 5  o 29.354  0.1776 29.603  -83.9000  -1.44  -0.04  -0.69  -0.51  
1 1 1 28 10 6  f 26.198  0.4710 20.573  -87.9000  3.35   -7.02  1.68   1.56   
1 1 1 28 10 7  o 16.537  0.3454 19.440  163.600   -2.61  -0.12  -0.51  -0.12  
1 1 1 28 10 8  o 22.663  0.4346 20.964  95.000    0.33   7.55   2.24   -0.48  
1 1 1 28 10 9  f 9.7194  0.2361 12.754  8.4000    0.59   -1.53  0.36   0.24   
1 1 1 28 10 10 o 24.760  0.1681 25.138  79.100    0.44   0.64   0.11   -0.11  
1 1 1 28 10 11 o 14.299  0.1477 14.134  -146.4000 -0.08  0.83   0.28   0.19   
1 1 1 28 10 12 o 12.611  0.4392 9.1284  -74.2000  0.08   -6.23  1.47   0.20   
1 1 1 28 10 13 o 9.1295  0.1720 3.9509  -116.3000 0.29   -0.18  -0.30  0.11   
1 1 1 28 10 14 o 8.5008  0.2079 8.5222  -148.2000 -0.03  0.17   0.05   -0.15  
1 1 1 28 10 15 o 8.9814  0.2010 8.8050  -178.7000 -0.12  -0.30  0.01   -0.05  
1 1 1 28 10 16 o 11.883  0.4414 10.710  -179.4000 -1.52  -0.20  -0.13  0.01   
1 1 1 28 10 17 o 6.8192  0.2714 5.9044  6.8000    -0.15  -0.18  -0.02  -0.03  
1 1 1 28 10 18 o 3.6291  0.4658 4.7847  14.100    -0.55  -0.40  -0.07  -0.08  
1 1 1 28 10 19 o 6.1020  0.3046 5.3438  -110.2000 -0.10  0.04   -0.00  -0.00  
1 1 1 28 10 20 o 10.245  0.2413 10.894  45.000    0.78   -0.35  0.38   0.11   
1 1 1 28 10 21 o 8.7210  0.2639 9.8765  114.500   0.14   0.67   0.05   0.10   
1 1 1 28 10 22 o 3.1764  1.0509 5.1573  -144.3000 -0.08  0.65   0.05   -0.02  
1 1 1 28 10 23 o 2.3857  0.8257 ?       ?         -0.00  -0.11  0.00   0.00   
1 1 1 28 10 24 o 10.616  0.4361 ?       ?         0.99   1.55   0.04   0.13   
1 1 1 28 10 25 o 8.6236  0.6476 ?       ?         -1.40  0.18   0.06   -0.02  
1 1 1 28 11 0  o 2.1448  0.3724 11.333  -179.9000 -0.01  0.00   0.00   0.00   
1 1 1 28 11 1  o 14.974  0.5821 12.245  -136.5000 -11.61 0.97   -2.63  0.57   
1 1 1 28 11 2  o 39.149  0.1965 41.430  -83.3000  -0.44  -0.25  -0.26  0.11   
1 1 1 28 11 3  o 45.783  0.3350 40.739  -140.0000 -2.60  -1.37  -0.08  -0.93  
1 1 1 28 11 4  o 40.199  0.3770 44.399  -117.3000 -5.78  -0.93  -2.59  0.08   
1 1 1 28 11 5  o 14.546  0.1524 16.571  -142.6000 0.36   0.59   0.28   -0.25  
1 1 1 28 11 6  o 24.432  0.3585 27.280  -139.6000 -3.86  -0.64  -0.80  -0.42  
1 1 1 28 11 7  o 15.212  0.1629 16.640  100.300   0.02   -0.06  -0.05  -0.02  
1 1 1 28 11 8  o 41.020  0.2173 46.284  65.300    -0.34  -0.17  0.09   -0.10  
1 1 1 28 11 9  o 43.065  0.3383 38.889  -151.8000 -2.06  -1.67  0.22   -0.62  
1 1 1 28 11 10 o 29.101  0.2037 30.566  72.300    -1.13  2.14   0.18   1.05   
1 1 1 28 11 11 o 4.9150  0.2724 6.4412  -8.1000   -0.01  0.14   0.05   0.32   
1 1 1 28 11 12 f 6.6629  0.2119 4.1190  -54.7000  -0.43  0.46   -0.17  0.47   
1 1 1 28 11 13 o 13.536  0.1492 15.415  96.700    -1.97  -0.17  -1.48  -1.48  
1 1 1 28 11 14 o 16.229  0.2006 15.066  -165.5000 -1.05  -0.10  -0.20  0.06   
1 1 1 28 11 15 o 14.933  0.3457 13.274  -12.2000  1.50   -0.59  -0.08  0.16   
1 1 1 28 11 16 f 12.640  0.1739 10.016  -148.3000 0.12   0.12   0.01   -0.01  
1 1 1 28 11 17 o 13.747  0.1909 9.9551  83.600    1.82   0.46   -0.01  -1.21  
1 1 1 28 11 18 o 6.5005  0.3017 5.2343  53.600    0.81   -0.45  -0.14  0.08   
1 1 1 28 11 19 o 3.4503  0.5413 3.3965  125.800   0.06   -0.13  0.00   0.00   
1 1 1 28 11 20 o 9.2832  0.2556 9.1542  -0.1000   -0.17  -0.19  0.02   0.03   
1 1 1 28 11 21 f 6.9929  0.3079 6.5893  -36.2000  0.01   -0.32  -0.06  0.00   
1 1 1 28 11 22 o 6.8951  0.3880 6.6961  67.800    0.18   0.74   -0.19  0.05   
1 1 1 28 11 23 o 4.1608  0.6330 ?       ?         -0.42  -0.21  0.01   0.04   
1 1 1 28 11 24 o 7.9389  0.4736 ?       ?         0.23   0.27   -0.00  0.01   
1 1 1 28 11 25 o 6.0693  0.6881 ?       ?         0.38   0.11   0.01   -0.00  
1 1 1 28 11 26 o 8.2158  1.2902 ?       ?         -0.44  1.30   0.00   0.00   
1 1 1 28 12 0  o 42.867  0.3218 45.569  0.0000    -0.49  0.00   0.00   0.00   
1 1 1 28 12 1  o 21.308  0.1252 22.424  -165.9000 0.11   -0.37  0.01   0.37   
1 1 1 28 12 2  o 15.224  0.1568 22.704  159.700   -0.32  0.16   -0.02  0.04   
1 1 1 28 12 3  o 47.145  0.2232 48.056  110.400   1.83   1.32   -2.77  0.10   
1 1 1 28 12 4  o 17.911  0.1252 21.779  132.300   0.16   -0.70  0.36   0.02   
1 1 1 28 12 5  o 18.447  0.4076 18.630  106.100   -4.88  4.60   0.10   2.09   
1 1 1 28 12 6  o 33.961  0.1841 35.284  63.100    -0.22  0.22   0.11   -0.23  
1 1 1 28 12 7  o 19.442  0.3455 20.594  133.900   -1.02  2.86   0.65   0.36   
1 1 1 28 12 8  o 24.385  0.4469 22.439  65.100    -3.87  6.39   0.71   1.95   
1 1 1 28 12 9  o 20.002  0.1601 22.440  -25.5000  0.33   0.10   -0.08  0.00   
1 1 1 28 12 10 o 31.658  0.3494 26.964  1.1000    5.03   4.05   0.22   -2.80  
1 1 1 28 12 11 o 20.958  0.1480 17.213  46.900    -0.15  -0.19  -0.12  -0.05  
1 1 1 28 12 12 o 8.2208  0.2045 2.0227  163.600   -1.57  1.18   -0.05  0.96   
1 1 1 28 12 13 o 23.685  0.5329 21.995  151.600   -1.52  1.93   -0.00  0.18   
1 1 1 28 12 14 o 19.873  0.3676 21.284  132.400   -3.19  2.84   -0.38  0.80   
1 1 1 28 12 15 o 8.8290  0.4278 11.193  -151.3000 0.96   -3.17  0.54   0.22   
1 1 1 28 12 16 o 6.2758  0.2716 6.1021  -136.4000 -0.47  -1.04  0.04   -0.63  
1 1 1 28 12 17 o 13.245  0.1862 13.954  44.700    0.47   0.36   -0.09  -0.04  
1 1 1 28 12 18 o 15.395  0.2055 13.089  -72.2000  -0.36  -0.27  0.08   0.01   
1 1 1 28 12 19 o 9.4842  0.3070 9.5537  1.7000    -1.33  0.02   -0.15  0.16   
1 1 1 28 12 20 o 15.329  0.2012 16.081  -60.9000  -0.44  -0.07  -0.01  0.03   
1 1 1 28 12 21 o 6.0685  0.3483 5.8506  -24.9000  0.18   -0.08  -0.01  -0.01  
1 1 1 28 12 22 f 9.2690  0.3255 12.169  -122.5000 -1.01  -0.68  0.23   -0.03  
1 1 1 28 12 23 o 5.4887  0.4760 ?       ?         0.01   0.27   -0.01  -0.00  
1 1 1 28 12 24 o 5.4001  1.6749 ?       ?         -0.15  0.50   0.01   -0.00  
1 1 1 28 12 25 o 6.5986  0.7703 ?       ?         -0.61  -0.12  0.01   0.01   
1 1 1 28 12 26 o 6.7157  1.4815 ?       ?         0.58   -0.02  0.00   0.00   
1 1 1 28 13 0  o 13.379  0.1478 19.985  0.0000    0.13   0.00   0.00   0.00   
1 1 1 28 13 1  o 9.6899  0.1205 1.6269  70.400    0.72   1.37   0.92   -0.90  
1 1 1 28 13 2  f 17.800  0.1192 14.265  -7.4000   -0.31  -0.03  -0.13  -0.27  
1 1 1 28 13 3  o 35.989  0.3564 28.227  -67.8000  2.75   -2.57  -0.45  1.08   
1 1 1 28 13 4  o 26.518  0.1779 30.945  -61.6000  -0.51  -0.44  0.42   -0.41  
1 1 1 28 13 5  o 15.742  0.2160 13.460  83.300    -2.27  1.80   -0.58  1.34   
1 1 1 28 13 6  o 21.237  0.7882 18.982  29.400    13.48  -4.50  -2.23  1.99   
1 1 1 28 13 7  o 22.464  0.2391 17.604  -9.8000   0.45   1.30   0.15   -0.18  
1 1 1 28 13 8  o 16.004  0.1475 13.668  61.300    -1.32  0.11   -1.52  -0.39  
1 1 1 28 13 9  o 7.6123  0.1717 5.8894  -16.6000  0.03   -0.98  0.37   0.10   
1 1 1 28 13 10 o 11.430  0.4448 8.4403  -34.3000  4.02   0.49   -0.60  -0.20  
1 1 1 28 13 11 o 28.652  0.1751 29.405  -5.5000   1.20   0.28   1.01   2.53   
1 1 1 28 13 12 f 14.864  0.2138 13.460  -5.0000   2.66   3.24   1.12   -2.23  
1 1 1 28 13 13 o 28.073  0.3248 29.352  -143.1000 -0.89  -1.16  0.12   -0.12  
1 1 1 28 13 14 o 18.519  0.1479 18.812  151.300   0.76   -0.75  -0.20  0.22   
1 1 1 28 13 15 o 15.741  0.4001 15.365  38.900    -0.37  3.61   0.64   -0.07  
1 1 1 28 13 16 o 4.8195  0.3394 2.9454  111.800   -0.12  0.13   0.03   0.02   
1 1 1 28 13 17 o 6.6235  0.2743 5.5269  79.300    0.03   -0.02  0.00   0.00   
1 1 1 28 13 18 o 20.384  0.2402 20.179  -173.0000 -0.57  0.36   -0.05  -0.01  
1 1 1 28 13 19 o 4.8892  0.3849 4.6718  -119.3000 -0.02  -0.30  0.02   0.05   
1 1 1 28 13 20 o 6.8522  0.3043 8.5003  -12.3000  0.02   0.29   -0.03  0.05   
1 1 1 28 13 21 o 3.3397  1.1492 2.6179  -116.3000 -1.10  -0.40  -0.14  -0.03  
1 1 1 28 13 22 o 8.3393  0.3455 7.8931  33.400    0.07   -0.40  0.00   -0.02  
1 1 1 28 13 23 o 2.8620  0.8390 ?       ?         -0.09  -0.16  -0.01  -0.00  
1 1 1 28 13 24 o 7.4667  0.6018 ?       ?         -0.01  0.05   -0.00  -0.00  
1 1 1 28 13 25 o 6.6730  0.6862 ?       ?         0.90   0.12   0.02   0.01   
1 1 1 28 13 26 o 4.7539  1.4090 ?       ?         -0.30  0.50   0.00   0.00   
1 1 1 28 14 0  o 6.3008  0.1699 6.3070  -179.5000 -0.05  0.00   0.00   0.00   
1 1 1 28 14 1  o 16.742  0.2226 13.578  -153.9000 -1.52  -1.52  -0.14  -0.73  
1 1 1 28 14 2  o 29.267  0.4358 26.411  -59.7000  1.21   -4.03  0.79   0.33   
1 1 1 28 14 3  o 28.746  0.1833 32.942  -52.0000  1.61   1.22   -0.62  -0.76  
1 1 1 28 14 4  o 8.8865  0.1290 15.105  -129.5000 -0.50  -0.03  -0.26  -0.10  
1 1 1 28 14 5  o 22.648  0.1294 26.006  -94.7000  -0.11  -0.85  0.73   0.45   
1 1 1 28 14 6  o 20.193  0.6296 18.875  142.700   -6.10  6.74   0.34   1.76   
1 1 1 28 14 7  o 14.109  0.1240 9.3255  -145.5000 -0.01  0.07   -0.14  0.07   
1 1 1 28 14 8  o 29.040  0.1566 29.151  -107.3000 0.38   -0.64  -0.05  0.23   
1 1 1 28 14 9  o 49.819  0.2304 50.405  -139.9000 -0.22  -0.30  -0.09  0.04   
1 1 1 28 14 10 o 23.542  0.1476 25.105  -32.1000  0.37   1.30   2.00   1.80   
1 1 1 28 14 11 o 14.831  0.4201 17.934  -29.9000  5.27   3.17   -0.54  -1.48  
1 1 1 28 14 12 o 27.056  0.4100 23.366  -140.3000 2.23   -7.36  2.34   0.75   
1 1 1 28 14 13 o 8.8390  0.2733 11.301  28.000    -0.32  0.47   0.01   0.04   
1 1 1 28 14 14 o 5.8413  0.2668 9.6480  -131.9000 -0.74  0.41   -0.17  0.13   
1 1 1 28 14 15 o 11.144  0.1788 8.1718  -69.9000  0.05   -0.80  0.10   0.46   
1 1 1 28 14 16 o 6.2284  0.2744 3.3463  115.300   -0.10  0.04   0.01   -0.05  
1 1 1 28 14 17 f 6.8659  0.2746 5.2879  99.400    0.74   0.82   -0.15  -0.31  
1 1 1 28 14 18 o 5.0003  0.3547 4.6705  -177.9000 -0.26  0.55   0.07   0.02   
1 1 1 28 14 19 o 7.5002  0.2814 6.0077  -132.8000 -0.39  -0.18  -0.07  0.09   
1 1 1 28 14 20 o 9.2623  0.2493 8.7461  92.300    -1.09  -0.77  0.65   -0.03  
1 1 1 28 14 21 o 9.3621  0.2590 9.0770  88.000    -0.35  0.75   -0.05  -0.23  
1 1 1 28 14 22 o 4.2410  0.5129 3.8349  -56.0000  -0.05  0.15   -0.01  0.00   
1 1 1 28 14 23 o 11.851  0.2876 ?       ?         0.19   0.18   0.00   0.01   
1 1 1 28 14 24 o 5.8582  0.8613 ?       ?         -0.01  -0.30  -0.00  0.00   
1 1 1 28 14 25 o 7.5078  0.6240 ?       ?         0.83   -0.48  0.02   -0.01  
1 1 1 28 14 26 o 7.7589  1.3581 ?       ?         -0.80  -0.12  0.00   0.00   
1 1 1 28 15 0  o 19.326  0.2124 20.470  0.1000    0.43   0.00   0.00   0.00   
1 1 1 28 15 1  o 30.027  0.4259 31.124  -24.8000  3.72   -0.37  -0.59  0.24   
1 1 1 28 15 2  o 22.995  0.2456 35.863  -41.5000  -1.82  -4.16  1.23   -2.07  
1 1 1 28 15 3  o 25.739  0.1370 22.798  26.300    0.50   0.49   2.07   0.12   
1 1 1 28 15 4  o 18.957  0.4813 10.525  -51.8000  -9.91  -7.27  -1.04  -4.99  
1 1 1 28 15 5  o 5.5807  0.3280 7.6951  54.400    0.67   -0.65  0.00   0.08   
1 1 1 28 15 6  o 7.9911  0.1450 8.6349  -138.3000 0.39   -2.22  1.84   0.98   
1 1 1 28 15 7  o 30.990  0.3746 26.461  -82.9000  1.88   -5.86  1.38   1.52   
1 1 1 28 15 8  o 36.975  0.2170 35.650  107.200   -1.85  1.04   -0.85  0.29   
1 1 1 28 15 9  o 23.515  0.2412 23.152  -87.2000  -0.32  -1.79  0.32   -0.24  
1 1 1 28 15 10 o 5.0299  0.2446 8.4249  77.400    -0.12  0.58   0.16   0.03   
1 1 1 28 15 11 o 14.877  0.1386 19.128  159.600   -0.11  0.08   0.05   0.03   
1 1 1 28 15 12 o 20.525  0.2217 16.756  -108.3000 -2.83  -0.28  -1.17  0.37   
1 1 1 28 15 13 o 27.951  0.1774 26.456  132.200   -0.93  0.76   0.20   0.23   
1 1 1 28 15 14 o 19.190  0.3143 16.912  102.200   -6.14  1.43   -2.46  0.25   
1 1 1 28 15 15 o 13.800  0.2122 14.586  -74.1000  0.41   -2.43  1.05   -0.42  
1 1 1 28 15 16 o 5.3440  0.3168 4.3566  62.600    -0.35  -0.78  0.03   -0.26  
1 1 1 28 15 17 o 4.3190  0.3951 3.2629  123.800   0.07   -0.16  -0.09  -0.07  
1 1 1 28 15 18 o 10.088  0.2284 10.699  69.600    -0.20  0.24   0.01   -0.09  
1 1 1 28 15 19 o 9.8520  0.2216 8.4855  83.200    -0.28  0.39   -0.01  -0.19  
1 1 1 28 15 20 o 10.673  0.2304 11.534  176.000   -0.47  0.86   0.18   -0.20  
1 1 1 28 15 21 o 6.3866  0.3952 6.8352  78.300    0.57   0.45   -0.12  0.09   
1 1 1 28 15 22 o 8.5432  0.3374 9.4433  30.200    0.35   1.57   0.11   0.32   
1 1 1 28 15 23 o 9.2135  0.5278 ?       ?         1.40   0.61   -0.09  0.07   
1 1 1 28 15 24 o 7.4198  0.8760 ?       ?         -0.12  1.39   -0.01  0.04   
1 1 1 28 15 25 f 4.4387  0.8601 ?       ?         -0.27  -0.31  -0.01  0.01   
1 1 1 28 15 26 o 2.7386  1.7633 ?       ?         0.51   -0.13  0.00   0.00   
1 1 1 28 16 0  o 45.034  0.3580 33.369  179.900   -0.38  0.00   0.00   0.00   
1 1 1 28 16 1  o 15.483  0.5456 13.593  94.100    7.03   -2.00  -1.22  0.89   
1 1 1 28 16 2  o 48.525  0.5914 40.226  -67.6000  4.31   -3.39  0.06   0.97   
1 1 1 28 16 3  o 15.418  0.5970 8.7192  -84.2000  -10.53 -5.23  -1.71  -2.00  
1 1 1 28 16 4  f 33.485  0.2410 32.372  15.000    1.98   -1.05  -0.75  0.40   
1 1 1 28 16 5  o 9.0249  0.3914 14.828  35.100    -0.04  5.10   1.42   0.12   
1 1 1 28 16 6  o 14.943  0.1149 13.830  -101.0000 0.08   -0.22  -0.05  0.33   
1 1 1 28 16 7  o 23.336  0.1458 18.955  -60.0000  1.03   0.78   1.21   -1.43  
1 1 1 28 16 8  o 17.731  0.3669 12.697  -74.0000  0.80   -5.22  1.53   0.24   
1 1 1 28 16 9  o 5.6675  0.2177 9.5252  79.500    1.36   0.26   -0.52  -0.13  
1 1 1 28 16 10 o 15.265  0.1776 7.8859  -172.7000 -2.72  1.35   -0.62  1.86   
1 1 1 28 16 11 o 27.845  0.3318 29.674  148.100   -2.04  3.37   0.68   0.63   
1 1 1 28 16 12 o 19.567  0.2324 21.420  162.300   -2.02  0.04   -0.52  -0.23  
1 1 1 28 16 13 o 10.175  0.1826 9.5735  -26.8000  1.55   -0.16  -0.60  -0.10  
1 1 1 28 16 14 o 3.1715  0.4104 1.0840  49.400    0.19   0.10   -0.11  0.00   
1 1 1 28 16 15 o 31.106  0.1727 29.594  94.200    -0.23  2.11   -0.34  -0.92  
1 1 1 28 16 16 o 10.759  0.1800 9.9004  57.400    0.29   0.40   -0.07  -0.09  
1 1 1 28 16 17 o 12.234  0.1855 11.702  110.200   -0.07  0.32   0.03   -0.06  
1 1 1 28 16 18 o 8.6011  0.2592 6.9779  109.100   0.49   -0.09  0.03   0.11   
1 1 1 28 16 19 o 11.177  0.2318 11.234  -1.1000   0.89   -1.04  0.52   -0.04  
1 1 1 28 16 20 o 6.8331  0.7151 7.1302  3.1000    2.36   0.48   -0.22  0.02   
1 1 1 28 16 21 f 3.6401  0.5967 2.6239  -107.3000 -0.05  0.02   0.00   0.00   
1 1 1 28 16 22 o 5.6509  0.4387 4.5279  106.100   0.35   -0.20  0.04   -0.03  
1 1 1 28 16 23 o 5.8153  0.5179 ?       ?         0.07   0.01   0.00   0.00   
1 1 1 28 16 24 o 5.7951  0.6681 ?       ?         0.40   0.05   0.00   0.01   
1 1 1 28 16 25 o 6.2079  0.8492 ?       ?         -0.48  1.30   -0.02  -0.01  
1 1 1 28 17 0  o 50.019  0.3731 61.252  180.000   -0.47  0.00   0.00   0.00   
1 1 1 28 17 1  o 42.475  0.2266 41.353  -157.4000 -0.41  0.44   0.09   0.07   
1 1 1 28 17 2  o 5.9899  0.2568 2.6831  81.900    -0.14  1.65   0.38   0.10   
1 1 1 28 17 3  o 15.619  0.1120 8.1296  148.500   -0.67  -0.12  -0.40  -0.68  
1 1 1 28 17 4  o 38.404  0.1849 35.664  22.400    1.03   -0.56  1.92   0.35   
1 1 1 28 17 5  o 9.6558  0.1262 10.334  88.200    -0.41  -0.24  -0.04  -0.11  
1 1 1 28 17 6  o 14.783  0.4605 19.491  -148.8000 -6.46  2.03   -0.99  0.80   
1 1 1 28 17 7  o 21.955  0.1429 23.334  83.900    0.26   0.47   0.22   -0.06  
1 1 1 28 17 8  o 12.865  0.2101 9.4278  173.400   -0.30  -0.47  0.01   -0.05  
1 1 1 28 17 9  o 13.828  0.1325 12.411  65.400    0.11   -0.03  0.14   -0.09  
1 1 1 28 17 10 o 40.409  0.1966 42.060  40.900    0.90   -1.05  -0.35  0.26   
1 1 1 28 17 11 o 28.580  0.2213 23.670  -77.0000  0.69   -2.05  0.21   0.63   
1 1 1 28 17 12 o 3.7687  0.3350 7.6648  -161.5000 -0.49  0.47   0.24   0.52   
1 1 1 28 17 13 o 11.556  0.1637 13.491  39.900    0.61   -0.80  1.69   -0.00  
1 1 1 28 17 14 o 9.6101  0.2441 9.9911  -1.2000   2.59   0.47   -1.04  0.03   
1 1 1 28 17 15 o 6.0486  0.2762 4.6628  -113.8000 1.18   -0.11  -0.25  -0.06  
1 1 1 28 17 16 o 8.6271  0.2437 8.8247  -70.2000  0.00   0.25   0.02   -0.02  
1 1 1 28 17 17 o 13.620  0.1977 9.1617  -27.7000  -0.73  0.07   -0.10  -0.15  
1 1 1 28 17 18 o 10.611  0.3416 8.5534  11.700    -0.27  -0.26  -0.01  -0.01  
1 1 1 28 17 19 o 17.970  0.2116 17.399  -74.5000  1.50   -0.90  0.24   0.24   
1 1 1 28 17 20 o 9.9500  0.5374 10.293  41.100    -0.14  4.61   0.65   0.55   
1 1 1 28 17 21 o 7.7348  0.3523 7.2346  100.400   -0.60  0.50   -0.08  -0.12  
1 1 1 28 17 22 o 4.0448  0.7955 4.0830  18.900    0.42   -0.56  0.04   0.02   
1 1 1 28 17 23 o 15.218  0.3900 ?       ?         1.08   1.38   0.03   0.07   
1 1 1 28 17 24 f 7.8591  0.4997 ?       ?         0.70   -0.68  -0.02  -0.03  
1 1 1 28 17 25 o 7.4450  0.6863 ?       ?         0.44   -0.53  -0.00  -0.00  
1 1 1 28 18 0  o 0.0000  1.5492 8.8604  0.1000    -0.00  0.00   0.00   0.00   
1 1 1 28 18 1  o 16.152  0.1984 16.060  177.000   1.51   -1.19  -0.43  0.77   
1 1 1 28 18 2  o 18.946  0.1413 16.821  -44.7000  0.57   -0.10  -0.51  -0.29  
1 1 1 28 18 3  o 18.770  0.3179 15.557  -32.9000  5.24   -3.59  -1.77  2.89   
1 1 1 28 18 4  o 24.109  0.7210 25.824  -7.5000   5.91   -10.10 0.99   1.47   
1 1 1 28 18 5  o 31.688  0.3312 34.576  54.700    9.20   -0.72  -5.14  2.17   
1 1 1 28 18 6  o 17.002  0.2684 12.079  167.700   0.11   1.92   0.39   0.04   
1 1 1 28 18 7  o 10.028  0.5059 7.4605  -60.9000  1.65   -7.15  1.28   0.54   
1 1 1 28 18 8  o 20.035  0.1616 16.977  106.200   -2.12  0.36   -0.91  0.75   
1 1 1 28 18 9  o 10.244  0.1488 7.1470  -66.9000  0.02   0.22   0.03   0.01   
1 1 1 28 18 10 o 7.7901  0.1851 8.4645  -149.0000 -0.22  -0.68  0.26   -0.09  
1 1 1 28 18 11 o 14.340  0.2197 13.778  87.600    -0.50  0.48   -0.04  0.07   
1 1 1 28 18 12 o 9.1681  0.2082 7.3507  151.900   0.07   0.79   0.38   -0.52  
1 1 1 28 18 13 o 9.5031  0.3215 7.8599  -97.8000  2.37   -2.07  -0.25  0.68   
1 1 1 28 18 14 o 14.381  0.1596 15.438  153.900   -0.45  0.97   0.52   -0.27  
1 1 1 28 18 15 o 9.5787  0.3510 10.059  87.300    0.75   1.20   0.01   -0.16  
1 1 1 28 18 16 o 16.158  0.2654 15.706  69.300    -1.40  0.29   -0.19  -0.03  
1 1 1 28 18 17 o 9.9338  0.6309 12.598  -108.0000 1.69   -3.28  0.11   0.43   
1 1 1 28 18 18 o 7.1190  0.2863 6.1897  118.600   0.55   -0.61  0.34   -0.02  
1 1 1 28 18 19 o 3.5945  0.5261 4.8372  -122.3000 -0.08  0.33   0.02   -0.01  
1 1 1 28 18 20 o 7.4676  0.3196 8.0487  -69.2000  -0.03  -0.99  -0.02  -0.23  
1 1 1 28 18 21 o 15.668  0.3516 15.826  -131.2000 0.40   -0.26  0.01   0.00   
1 1 1 28 18 22 o 8.0658  0.7805 ?       ?         1.18   3.73   0.44   0.17   
1 1 1 28 18 23 o 5.7697  0.5833 ?       ?         0.46   -0.72  -0.03  -0.04  
1 1 1 28 18 24 o 4.5832  0.7383 ?       ?         0.16   0.47   -0.02  0.00   
1 1 1 28 18 25 o 7.7555  0.5925 ?       ?         0.09   0.53   -0.00  0.00   
1 1 1 28 19 0  o 7.1063  0.1851 7.2690  179.900   0.07   0.00   0.00   0.00   
1 1 1 28 19 1  o 23.626  0.6112 17.209  80.300    -2.58  7.20   1.26   0.78   
1 1 1 28 19 2  o 36.293  0.2821 34.115  -177.1000 -0.85  0.27   -0.04  0.10   
1 1 1 28 19 3  f 46.504  0.4434 48.173  110.100   3.59   2.85   -0.69  -0.92  
1 1 1 28 19 4  o 12.765  0.6960 15.836  -102.0000 -26.30 -1.41  -8.64  -0.58  
1 1 1 28 19 5  o 19.735  0.2692 13.888  -15.6000  3.59   -1.40  -1.31  0.73   
1 1 1 28 19 6  o 7.5330  0.1444 8.3919  -47.8000  -0.11  -0.04  -0.14  0.41   
1 1 1 28 19 7  o 27.171  0.3721 21.457  173.800   -4.54  2.73   -0.37  1.35   
1 1 1 28 19 8  o 18.754  0.1382 15.499  -173.8000 -0.16  0.03   0.03   0.07   
1 1 1 28 19 9  o 20.453  0.5096 12.838  121.800   -8.29  6.92   -0.94  2.73   
1 1 1 28 19 10 o 17.979  0.2541 16.913  -72.2000  -0.21  -3.45  0.98   -0.40  
1 1 1 28 19 11 o 3.9221  0.9156 5.3410  147.200   -1.95  0.20   -0.11  0.03   
1 1 1 28 19 12 f 12.766  0.1515 9.3515  102.000   -0.35  0.73   -0.76  0.99   
1 1 1 28 19 13 o 11.209  0.1627 12.370  159.500   0.01   -0.11  -0.01  -0.03  
1 1 1 28 19 14 o 6.0527  0.4954 3.5154  -92.8000  -0.24  -0.99  0.06   -0.01  
1 1 1 28 19 15 o 10.217  0.2182 9.5248  -179.9000 -2.54  0.13   -1.03  -0.58  
1 1 1 28 19 16 o 6.9674  0.2664 6.3593  -170.7000 -0.11  0.22   -0.06  -0.18  
1 1 1 28 19 17 o 2.7685  0.5278 1.9992  -149.9000 -0.31  -0.01  -0.04  0.03   
1 1 1 28 19 18 o 3.6938  0.4467 2.7791  -41.4000  -0.08  0.01   0.01   0.00   
1 1 1 28 19 19 o 2.0765  0.6760 1.6135  88.900    0.30   0.05   -0.01  -0.05  
1 1 1 28 19 20 o 3.9393  0.4558 4.2921  -58.7000  0.19   -0.02  0.02   0.01   
1 1 1 28 19 21 o 6.7093  0.3890 6.4955  127.900   -1.25  0.04   0.01   0.20   
1 1 1 28 19 22 o 2.8978  0.7320 ?       ?         -0.19  -0.01  0.01   -0.01  
1 1 1 28 19 23 f 3.8792  1.7660 ?       ?         0.02   0.10   0.00   0.00   
1 1 1 28 19 24 o 6.9352  0.5759 ?       ?         0.09   0.38   -0.01  -0.00  
1 1 1 28 19 25 o 7.1265  0.5870 ?       ?         -1.00  -0.02  0.02   0.01   
1 1 1 28 20 0  o 13.046  0.1628 11.658  -179.9000 -0.11  0.00   0.00   0.00   
1 1 1 28 20 1  o 32.319  0.6729 31.359  -14.6000  5.15   7.98   0.47   -1.74  
1 1 1 28 20 2  o 22.972  0.1587 22.397  -172.5000 -0.67  0.24   -1.05  -0.43  
1 1 1 28 20 3  o 8.8062  0.2234 10.118  -169.0000 -0.69  2.81   1.14   0.45   
1 1 1 28 20 4  o 40.926  1.1075 39.831  -29.0000  4.74   -11.37 1.01   0.73   
1 1 1 28 20 5  o 39.748  0.4061 36.426  144.600   -1.17  0.79   0.01   0.12   
1 1 1 28 20 6  o 11.533  0.1360 12.103  111.900   -0.18  -0.03  0.11   -0.37  
1 1 1 28 20 7  o 6.9827  0.1644 2.4105  -14.6000  -0.02  0.74   0.45   -0.09  
1 1 1 28 20 8  o 22.452  0.1437 23.728  164.600   -0.17  0.41   0.07   0.01   
1 1 1 28 20 9  o 11.177  0.1429 11.906  -20.3000  -0.94  -1.11  -0.27  -1.14  
1 1 1 28 20 10 o 13.051  0.3199 14.118  49.900    2.95   2.29   -0.07  -0.76  
1 1 1 28 20 11 o 14.158  0.1455 10.579  25.400    0.42   0.58   0.50   -0.14  
1 1 1 28 20 12 o 19.337  0.1790 13.593  -35.8000  -0.59  0.51   0.55   -0.11  
1 1 1 28 20 13 o 6.0776  0.2703 5.2644  117.100   -1.08  -0.44  0.00   -1.24  
1 1 1 28 20 14 o 18.761  0.2029 16.776  93.400    -0.50  1.83   0.08   0.54   
1 1 1 28 20 15 o 13.820  0.1728 12.281  19.900    0.89   -0.28  -0.18  -0.05  
1 1 1 28 20 16 o 4.0097  1.2428 6.5696  -19.5000  2.72   1.36   -0.20  -0.21  
1 1 1 28 20 17 o 9.6162  0.2379 8.5800  -164.7000 0.72   -1.20  0.75   -0.45  
1 1 1 28 20 18 o 6.7972  0.3478 6.7626  -133.6000 0.74   -1.00  -0.07  0.16   
1 1 1 28 20 19 o 2.6422  0.6351 3.3832  149.500   -0.14  -0.10  -0.01  -0.00  
1 1 1 28 20 20 o 4.7982  0.4773 4.0371  4.7000    0.91   -0.71  0.16   0.11   
1 1 1 28 20 21 o 7.3375  0.3545 7.7682  81.800    -0.12  0.43   -0.05  -0.01  
1 1 1 28 20 22 o 5.4259  0.6112 ?       ?         -0.34  0.16   0.01   -0.01  
1 1 1 28 20 23 o 12.140  0.6411 ?       ?         -1.93  -1.09  0.10   -0.02  
1 1 1 28 20 24 o 6.7805  0.5781 ?       ?         -0.39  0.75   0.00   -0.02  
1 1 1 28 20 25 o 9.2011  0.5674 ?       ?         -0.74  -0.13  0.01   -0.00  
1 1 1 28 21 0  o 5.2345  0.5033 0.5299  -2.3000   0.02   0.00   0.00   0.00   
1 1 1 28 21 1  o 7.7311  0.3169 5.7783  14.900    0.08   0.21   0.30   0.95   
1 1 1 28 21 2  o 21.189  0.2757 17.382  131.500   1.27   0.97   -0.09  -0.19  
1 1 1 28 21 3  o 30.908  0.4863 27.652  -172.0000 -6.23  1.56   -1.30  1.35   
1 1 1 28 21 4  f 26.309  0.2926 28.671  61.400    -0.20  1.81   0.31   -0.03  
1 1 1 28 21 5  o 16.142  0.1280 16.318  46.000    -1.29  0.25   -0.46  0.40   
1 1 1 28 21 6  o 7.9964  0.1764 5.8362  105.600   -2.41  0.66   -1.17  0.50   
1 1 1 28 21 7  f 17.919  0.1388 13.515  100.200   0.25   0.25   0.05   -0.07  
1 1 1 28 21 8  o 21.599  0.5149 21.093  -98.2000  -1.02  -8.82  1.91   -0.84  
1 1 1 28 21 9  o 9.9451  0.1535 8.9490  -126.2000 -0.51  -0.34  -0.01  -0.15  
1 1 1 28 21 10 o 17.935  0.3388 18.547  -127.3000 -1.36  -2.50  0.14   -0.51  
1 1 1 28 21 11 o 12.400  0.4615 9.9907  0.6000    8.82   -5.16  -1.19  3.26   
1 1 1 28 21 12 o 10.697  0.1651 10.922  -12.9000  -0.12  -0.50  0.07   -0.00  
1 1 1 28 21 13 f 5.3544  0.2855 4.8972  -66.9000  -0.62  -0.83  0.17   -0.19  
1 1 1 28 21 14 o 12.220  0.1788 12.135  147.500   0.09   -0.51  -0.16  0.23   
1 1 1 28 21 15 o 8.5465  0.2264 8.1588  151.100   -0.12  0.08   0.03   0.01   
1 1 1 28 21 16 o 1.2368  0.8024 3.0622  68.100    0.03   0.15   0.03   0.02   
1 1 1 28 21 17 o 10.099  0.2199 11.141  -168.9000 -0.06  -0.42  -0.07  -0.08  
1 1 1 28 21 18 o 8.5174  0.3663 9.9619  39.900    2.61   0.94   -0.62  -0.01  
1 1 1 28 21 19 o 5.5316  0.3686 5.3748  143.100   0.17   -0.20  -0.03  -0.03  
1 1 1 28 21 20 o 6.8571  0.3750 6.9066  -165.4000 -0.85  -0.10  0.22   0.10   
1 1 1 28 21 21 o 7.8141  0.3614 7.7671  -13.2000  0.55   -0.76  0.09   -0.10  
1 1 1 28 21 22 o 5.9536  0.9904 ?       ?         -0.26  -0.11  -0.00  0.00   
1 1 1 28 21 23 o 4.9329  1.0597 ?       ?         -0.82  -0.18  0.01   -0.03  
1 1 1 28 21 24 o 10.165  0.4701 ?       ?         -1.29  -0.24  0.04   0.02   
1 1 1 28 21 25 o 3.8419  1.1160 ?       ?         0.35   0.33   0.00   0.00   
1 1 1 28 22 0  o 14.717  0.3807 15.361  179.900   -0.02  0.00   0.00   0.00   
1 1 1 28 22 1  f 18.193  0.3080 17.682  160.300   -0.52  1.62   0.30   0.11   
1 1 1 28 22 2  o 12.720  0.2854 10.243  111.000   1.07   0.89   -0.10  -0.24  
1 1 1 28 22 3  o 10.283  0.2296 14.537  175.400   -5.39  -1.63  -3.15  -2.83  
1 1 1 28 22 4  o 17.479  0.4160 18.367  77.400    -0.45  2.13   0.15   0.09   
1 1 1 28 22 5  o 23.309  0.8946 25.046  145.900   -19.76 13.68  -1.39  4.94   
1 1 1 28 22 6  o 14.818  0.1193 15.027  52.000    0.71   -1.38  0.89   0.52   
1 1 1 28 22 7  o 15.528  0.1683 13.659  158.300   0.55   0.96   0.06   -0.27  
1 1 1 28 22 8  o 24.018  0.1584 18.399  116.000   -1.65  0.54   -2.37  -3.05  
1 1 1 28 22 9  o 18.349  0.1422 17.964  34.300    0.44   -0.14  0.27   0.38   
1 1 1 28 22 10 o 27.258  0.3201 24.488  115.900   -1.46  0.83   -0.17  0.10   
1 1 1 28 22 11 o 16.260  0.1483 14.052  -29.5000  0.66   -0.21  -0.27  -0.89  
1 1 1 28 22 12 o 8.8159  0.1991 6.6484  56.600    1.80   0.50   -0.52  -1.11  
1 1 1 28 22 13 o 9.6226  0.1919 12.573  -54.0000  0.33   -0.32  0.25   -0.36  
1 1 1 28 22 14 o 9.7690  0.3473 7.8975  -78.0000  1.82   0.72   -0.12  -0.30  
1 1 1 28 22 15 o 9.6966  0.2077 9.9111  39.800    0.41   0.29   0.08   -0.10  
1 1 1 28 22 16 o 10.126  0.2712 11.131  -32.0000  0.85   -0.82  0.13   0.14   
1 1 1 28 22 17 o 8.0096  0.2488 9.7542  34.900    0.34   -0.06  0.03   0.05   
1 1 1 28 22 18 o 4.9170  0.3768 5.7295  -75.0000  0.23   -0.52  -0.20  0.04   
1 1 1 28 22 19 o 9.5057  0.2284 9.6809  -53.1000  0.56   -0.03  0.11   -0.03  
1 1 1 28 22 20 o 10.243  0.2704 12.067  179.700   -0.29  1.28   0.01   -0.23  
1 1 1 28 22 21 o 7.1254  0.3968 8.1350  -108.9000 -0.07  0.69   -0.06  -0.06  
1 1 1 28 22 22 o 2.7635  1.3098 ?       ?         -0.26  -0.07  0.01   -0.01  
1 1 1 28 22 23 o 7.3048  0.5334 ?       ?         0.47   1.54   -0.06  0.06   
1 1 1 28 22 24 o 6.1464  0.9827 ?       ?         -0.44  -0.54  -0.01  0.00   
1 1 1 28 23 0  o 6.1319  0.4824 2.2096  -179.1000 -0.01  0.00   0.00   0.00   
1 1 1 28 23 1  o 30.821  0.3205 28.962  -116.5000 -0.58  -2.44  0.37   -0.54  
1 1 1 28 23 2  o 22.294  0.2043 22.108  27.200    -0.34  -0.45  -0.13  -0.18  
1 1 1 28 23 3  o 19.058  0.6755 15.588  102.000   7.39   5.60   -0.26  -1.60  
1 1 1 28 23 4  o 19.850  0.4186 18.126  70.100    3.32   -4.78  0.55   1.02   
1 1 1 28 23 5  o 8.7954  0.5831 5.3328  -116.0000 1.77   -12.53 2.88   0.67   
1 1 1 28 23 6  o 35.928  0.1873 32.788  117.000   0.01   0.50   -0.02  -0.16  
1 1 1 28 23 7  o 9.2048  0.2094 12.392  142.100   -0.20  0.09   -0.00  0.01   
1 1 1 28 23 8  o 8.7996  0.2934 10.949  60.200    5.27   -0.72  -1.91  0.82   
1 1 1 28 23 9  o 20.139  0.4297 20.279  -109.0000 -1.10  -7.91  2.37   -0.03  
1 1 1 28 23 10 o 13.997  0.1471 16.764  178.400   -0.54  -0.00  -0.02  -0.53  
1 1 1 28 23 11 o 14.307  0.1668 16.470  7.6000    1.22   -1.11  0.23   0.48   
1 1 1 28 23 12 o 12.148  0.2444 15.324  -65.2000  1.98   -1.77  -0.42  0.71   
1 1 1 28 23 13 o 8.7125  0.4833 10.419  146.200   -2.71  -4.81  0.85   -0.85  
1 1 1 28 23 14 o 12.158  0.2052 11.154  173.300   0.59   0.57   0.18   -0.11  
1 1 1 28 23 15 f 4.4331  0.3788 1.9922  118.200   -0.12  -0.43  0.02   -0.09  
1 1 1 28 23 16 o 11.404  0.1929 10.584  -97.9000  0.11   -1.03  -0.14  -0.58  
1 1 1 28 23 17 f 8.6902  0.2491 7.8314  -16.5000  -0.46  -1.25  -0.31  -0.48  
1 1 1 28 23 18 o 9.3292  0.2565 7.7093  -84.5000  0.96   -1.55  -0.35  0.35   
1 1 1 28 23 19 o 9.6490  0.3410 8.3167  114.500   -1.26  2.67   0.75   -0.21  
1 1 1 28 23 20 o 7.2372  0.3601 6.2986  -107.6000 -0.36  0.01   0.02   -0.02  
1 1 1 28 23 21 o 11.099  0.2850 ?       ?         2.00   0.94   0.26   0.25   
1 1 1 28 23 22 o 5.6571  0.5578 ?       ?         0.23   0.03   0.00   0.00   
1 1 1 28 23 23 o 7.5169  0.6344 ?       ?         -1.11  0.43   0.04   0.00   
1 1 1 28 23 24 o 8.5674  0.5481 ?       ?         1.86   0.96   -0.01  0.04   
1 1 1 28 24 0  o 16.056  0.3563 10.869  0.0000    -0.36  0.00   0.00   0.00   
1 1 1 28 24 1  o 11.947  0.4755 13.467  52.000    4.51   3.51   -0.18  -1.39  
1 1 1 28 24 2  o 9.3827  0.2263 4.5951  -157.3000 -0.09  -0.51  0.06   -0.04  
1 1 1 28 24 3  f 8.1491  0.7737 6.5377  72.000    -7.99  10.07  0.57   3.23   
1 1 1 28 24 4  o 15.173  0.7021 13.825  151.500   -8.00  4.73   -0.45  0.98   
1 1 1 28 24 5  o 19.003  0.3028 21.002  -22.6000  -1.11  -4.97  1.32   -1.00  
1 1 1 28 24 6  o 21.726  0.1421 16.447  70.400    0.03   -0.02  -0.00  -0.00  
1 1 1 28 24 7  o 19.112  0.2636 18.451  118.500   -1.66  0.47   -0.14  0.15   
1 1 1 28 24 8  o 16.408  0.1470 13.204  -27.7000  1.03   -1.57  0.76   0.62   
1 1 1 28 24 9  o 21.578  0.1734 22.101  1.7000    0.60   -1.72  0.07   0.79   
1 1 1 28 24 10 o 17.763  0.1409 18.641  -72.4000  -0.35  -0.34  -0.30  0.41   
1 1 1 28 24 11 o 5.6200  0.2533 3.6338  162.200   0.02   0.80   0.11   -0.04  
1 1 1 28 24 12 o 7.0108  0.2304 7.9701  -168.5000 0.68   -0.80  0.26   0.24   
1 1 1 28 24 13 f 16.775  0.1837 16.303  2.6000    0.02   1.29   0.18   0.24   
1 1 1 28 24 14 o 17.190  0.1556 18.395  90.100    -0.78  1.11   -0.29  0.31   
1 1 1 28 24 15 o 7.2643  0.2522 6.5600  -47.5000  -0.35  -0.07  -0.05  0.02   
1 1 1 28 24 16 o 3.6870  0.4565 3.5472  -104.6000 -0.36  -0.38  -0.04  -0.05  
1 1 1 28 24 17 o 9.3503  0.2329 8.6130  114.800   -0.65  0.83   -0.17  0.13   
1 1 1 28 24 18 o 3.8204  0.4706 3.2320  -140.8000 0.18   0.18   -0.01  0.04   
1 1 1 28 24 19 o 20.487  0.2202 20.681  -26.8000  0.62   -1.48  -0.05  -0.16  
1 1 1 28 24 20 o 11.638  0.3326 10.975  159.300   -2.22  2.73   0.76   -0.12  
1 1 1 28 24 21 o 11.168  0.3618 ?       ?         -0.60  -0.80  0.02   0.04   
1 1 1 28 24 22 o 10.419  0.4063 ?       ?         -0.30  -0.18  0.00   0.00   
1 1 1 28 24 23 o 5.7315  0.6086 ?       ?         -0.14  0.31   0.00   -0.00  
1 1 1 28 24 24 o 4.0117  0.9623 ?       ?         -0.38  0.38   0.01   -0.01  
1 1 1 28 25 0  o 25.638  0.3748 29.282  -180.0000 -0.45  0.00   0.00   0.00   
1 1 1 28 25 1  o 10.269  0.2980 9.2870  -57.1000  -0.75  -2.15  0.44   -0.51  
1 1 1 28 25 2  o 24.403  0.2186 25.889  27.100    0.19   0.16   -0.07  0.07   
1 1 1 28 25 3  o 15.936  0.2094 16.278  12.500    0.84   -0.65  0.24   0.54   
1 1 1 28 25 4  o 4.8815  0.3615 2.5668  -31.9000  -1.07  2.26   0.27   0.39   
1 1 1 28 25 5  o 40.979  0.2651 40.694  71.500    0.86   1.07   -0.15  -0.16  
1 1 1 28 25 6  o 24.454  0.2574 27.819  -112.7000 -5.50  -1.93  -2.77  -0.89  
1 1 1 28 25 7  o 22.127  0.1513 21.475  -51.2000  0.14   -0.44  -0.03  -0.46  
1 1 1 28 25 8  o 11.896  0.1550 11.181  -127.6000 0.43   0.50   -0.69  -0.35  
1 1 1 28 25 9  o 10.389  0.3141 13.619  -103.3000 0.10   -3.78  0.94   0.25   
1 1 1 28 25 10 o 14.897  0.3104 15.788  105.800   2.58   3.37   -0.06  -1.08  
1 1 1 28 25 11 o 14.202  0.2356 16.033  103.400   -0.10  0.17   -0.00  0.00   
1 1 1 28 25 12 o 16.920  0.1581 15.002  -174.5000 0.36   -1.14  -0.75  0.38   
1 1 1 28 25 13 o 16.138  0.1564 16.339  -81.3000  0.17   -0.89  0.01   -0.44  
1 1 1 28 25 14 o 9.4599  0.1950 10.841  133.500   -0.04  0.14   0.01   -0.03  
1 1 1 28 25 15 o 18.773  0.1617 18.239  164.200   -0.73  -0.48  0.17   -0.00  
1 1 1 28 25 16 o 2.9401  0.5579 1.2979  10.900    0.00   0.03   -0.00  0.00   
1 1 1 28 25 17 o 16.474  0.1911 16.858  -52.9000  0.36   -0.53  -0.08  -0.03  
1 1 1 28 25 18 o 2.9504  0.5399 2.8784  106.700   0.37   0.37   -0.07  -0.04  
1 1 1 28 25 19 o 2.1272  0.7513 1.7589  24.800    0.01   0.29   -0.04  0.05   
1 1 1 28 25 20 f 12.860  0.2564 13.445  45.900    0.69   1.64   0.10   0.19   
1 1 1 28 25 21 o 3.9862  0.7480 ?       ?         -0.42  0.29   0.03   -0.00  
1 1 1 28 25 22 o 11.619  0.3618 ?       ?         1.52   0.59   0.08   0.02   
1 1 1 28 25 23 o 8.1277  0.7505 ?       ?         -0.20  -0.09  0.00   -0.00  
1 1 1 28 25 24 o 4.9825  1.3011 ?       ?         -0.11  -0.06  0.00   -0.00  
1 1 1 28 26 0  o 18.974  0.3898 17.430  -179.9000 -0.06  0.00   0.00   0.00   
1 1 1 28 26 1  o 12.687  0.5002 10.799  -30.4000  3.08   -1.64  -0.29  0.32   
1 1 1 28 26 2  o 17.968  0.5362 17.129  -23.2000  2.79   0.13   -0.23  -0.06  
1 1 1 28 26 3  o 10.714  0.2542 7.4496  -128.8000 0.19   -0.37  -0.13  0.25   
1 1 1 28 26 4  o 27.166  0.2737 32.561  -82.2000  2.08   0.26   -0.31  -0.31  
1 1 1 28 26 5  o 20.949  0.1485 24.683  86.700    -1.12  1.34   -6.23  -0.78  
1 1 1 28 26 6  o 22.434  0.2085 24.914  -25.2000  3.87   1.68   -0.68  -1.85  
1 1 1 28 26 7  o 22.085  0.4003 16.132  -16.0000  2.11   -3.20  0.41   0.46   
1 1 1 28 26 8  o 10.071  0.1651 9.7989  -162.3000 -0.64  -0.40  -0.57  -0.15  
1 1 1 28 26 9  o 14.135  0.1384 13.896  177.600   -1.62  -1.83  -0.79  -1.40  
1 1 1 28 26 10 o 20.112  0.1455 17.860  32.600    -0.12  0.61   -0.29  -0.21  
1 1 1 28 26 11 o 25.844  0.1569 24.643  -19.8000  0.26   0.27   0.03   0.01   
1 1 1 28 26 12 o 5.3763  0.2778 4.0749  132.700   0.11   0.23   -0.22  0.14   
1 1 1 28 26 13 o 7.3110  0.2573 6.3186  -11.5000  -0.09  0.35   0.07   -0.09  
1 1 1 28 26 14 o 6.5280  0.3002 5.4132  -124.9000 -0.55  -1.37  0.30   -0.08  
1 1 1 28 26 15 o 8.2606  0.2597 9.2652  157.300   0.11   0.17   -0.02  -0.01  
1 1 1 28 26 16 o 11.022  0.4499 9.3488  44.100    -0.83  -0.73  0.02   -0.05  
1 1 1 28 26 17 o 3.0894  0.6368 1.6239  47.900    -0.19  -0.05  -0.01  0.00   
1 1 1 28 26 18 o 8.5508  0.3165 8.2107  46.200    0.11   1.80   0.15   0.30   
1 1 1 28 26 19 o 4.3903  0.5291 4.0913  -110.9000 -0.02  -0.30  0.00   0.01   
1 1 1 28 26 20 o 6.8910  0.5350 6.7112  78.500    0.31   0.27   -0.01  -0.00  
1 1 1 28 26 21 f 8.9664  0.4517 ?       ?         2.01   0.72   0.14   -0.02  
1 1 1 28 26 22 o 5.8825  0.5772 ?       ?         -0.08  -0.24  -0.00  -0.00  
1 1 1 28 26 23 o 8.2825  0.5000 ?       ?         0.78   -0.34  0.02   -0.01  
1 1 1 28 26 24 o 0.6523  1.1872 ?       ?         0.08   0.18   -0.00  0.00   
1 1 1 28 27 0  o 11.908  0.3228 13.137  0.1000    0.37   0.00   0.00   0.00   
1 1 1 28 27 1  o 11.223  0.5757 11.372  -120.8000 0.43   -4.72  0.65   0.22   
1 1 1 28 27 2  f 14.687  0.4357 14.699  47.900    1.55   3.23   0.54   -0.41  
1 1 1 28 27 3  o 23.613  0.2220 23.683  -139.0000 0.56   1.08   -1.81  0.04   
1 1 1 28 27 4  o 17.091  0.9886 15.865  -129.7000 15.66  -5.26  -2.47  1.39   
1 1 1 28 27 5  o 20.120  0.1760 20.740  167.700   -0.89  1.38   0.33   0.28   
1 1 1 28 27 6  o 6.8590  0.3144 5.0313  -61.0000  2.89   -2.01  -0.39  0.73   
1 1 1 28 27 7  o 24.819  0.1471 24.996  -141.3000 -1.60  -0.57  2.66   2.20   
1 1 1 28 27 8  o 6.7377  0.1755 6.6148  15.800    0.49   0.49   -0.09  -0.21  
1 1 1 28 27 9  o 26.022  0.1672 22.037  17.700    0.66   -0.38  0.32   -0.12  
1 1 1 28 27 10 o 5.9333  0.3701 5.8710  178.600   -1.91  -1.19  -0.09  -0.41  
1 1 1 28 27 11 o 7.0073  0.2279 5.0446  103.600   -0.45  -0.43  -0.53  -0.01  
1 1 1 28 27 12 o 8.3741  0.2207 9.1194  -105.8000 0.07   0.01   0.00   0.01   
1 1 1 28 27 13 o 17.679  0.1582 18.829  -35.3000  0.83   -0.46  0.31   -0.57  
1 1 1 28 27 14 o 12.147  0.2507 12.898  -25.3000  0.62   0.88   -0.08  -0.12  
1 1 1 28 27 15 o 8.2740  0.2331 6.4646  -95.4000  0.40   0.06   0.04   0.12   
1 1 1 28 27 16 o 14.590  0.2227 13.549  -163.2000 0.22   0.24   0.01   -0.00  
1 1 1 28 27 17 o 15.302  0.1820 16.105  19.100    0.82   0.16   0.10   0.08   
1 1 1 28 27 18 o 11.976  0.2547 10.350  128.900   -0.48  1.66   -0.19  0.19   
1 1 1 28 27 19 o 8.8235  0.3311 9.5988  160.000   0.74   0.25   0.08   0.02   
1 1 1 28 27 20 o 5.1195  0.8908 ?       ?         0.16   0.44   0.01   0.01   
1 1 1 28 27 21 o 6.0567  0.5634 ?       ?         -0.90  0.16   0.04   0.00   
1 1 1 28 27 22 o 1.9756  1.1131 ?       ?         0.20   0.17   0.00   0.01   
1 1 1 28 27 23 o 1.3932  1.1450 ?       ?         0.48   -0.03  0.02   -0.00  
1 1 1 28 28 0  o 48.341  0.8646 44.123  0.0000    0.11   0.00   0.00   0.00   
1 1 1 28 28 1  o 17.796  0.3391 19.464  90.100    0.00   0.02   0.00   0.00   
1 1 1 28 28 2  o 16.180  0.2585 11.502  -179.9000 0.52   0.00   0.00   0.00   
1 1 1 28 28 3  o 8.7178  0.4156 3.9845  90.400    -0.00  -0.19  0.00   0.00   
1 1 1 28 28 4  o 13.092  0.3241 15.475  0.1000    0.14   0.00   0.00   0.00   
1 1 1 28 28 5  o 7.2732  0.2006 9.6813  90.000    0.00   0.06   0.00   0.00   
1 1 1 28 28 6  o 11.454  0.1635 11.526  -179.9000 -0.27  0.00   0.00   0.00   
1 1 1 28 28 7  o 3.0984  0.3848 3.3160  -90.3000  -0.00  -0.01  0.00   0.00   
1 1 1 28 28 8  o 7.9687  0.2493 7.7650  0.0000    0.02   0.00   0.00   0.00   
1 1 1 28 28 9  o 2.7749  0.5351 1.2039  89.800    0.00   0.02   0.00   0.00   
1 1 1 28 28 10 f 18.708  0.2245 17.523  -0.0000   0.38   0.00   0.00   0.00   
1 1 1 28 28 11 o 11.203  0.2317 11.590  -90.0000  -0.00  -0.22  0.00   0.00   
1 1 1 28 28 12 o 7.6551  0.3614 3.8513  180.000   -0.57  0.00   0.00   0.00   
1 1 1 28 28 13 f 2.2583  0.7602 0.0044  -90.0000  -0.00  -0.02  0.00   0.00   
1 1 1 28 28 14 o 3.6332  0.6058 4.1584  -0.0000   -0.02  0.00   0.00   0.00   
1 1 1 28 28 15 o 15.411  0.2459 15.651  90.000    0.00   1.22   0.00   0.00   
1 1 1 28 28 16 o 2.1213  0.9410 5.5062  180.000   -0.00  0.00   0.00   0.00   
1 1 1 28 28 17 o 6.0745  0.4580 5.2808  90.000    -0.00  -0.22  0.00   0.00   
1 1 1 28 28 18 o 7.7524  0.4961 8.5536  -0.0000   -0.10  0.00   0.00   0.00   
1 1 1 28 28 19 o 7.4833  0.5117 7.5738  90.000    -0.00  -0.25  0.00   0.00   
1 1 1 28 28 20 o 16.625  0.3993 ?       ?         2.49   0.00   0.00   0.00   
1 1 1 28 28 21 o 14.039  0.4751 ?       ?         -0.00  -1.04  0.00   0.00   
1 1 1 28 28 22 o 6.4498  0.7889 ?       ?         0.37   0.00   0.00   0.00   
1 1 1 28 28 23 o 5.7271  0.9346 ?       ?         -0.00  -0.50  0.00   0.00   
1 1 1 29 0  1  o 55.230  0.3401 47.446  45.000    0.44   0.44   0.00   0.00   
1 1 1 29 0  2  o 9.1597  0.1819 12.804  -0.2000   -0.02  0.00   0.00   0.00   
1 1 1 29 0  3  o 61.037  0.3972 71.305  -45.0000  0.58   -0.58  0.00   0.00   
1 1 1 29 0  4  o 67.221  0.4118 76.650  90.000    0.00   1.64   0.00   0.00   
1 1 1 29 0  5  o 5.2631  0.3133 1.4640  -134.9000 -0.03  -0.03  0.00   0.00   
1 1 1 29 0  6  o 23.839  0.3024 18.973  -179.9000 0.17   0.00   0.00   0.00   
1 1 1 29 0  7  o 25.515  0.1983 20.162  -45.1000  0.02   -0.02  0.00   0.00   
1 1 1 29 0  8  f 14.646  0.1921 13.429  90.200    0.00   0.02   0.00   0.00   
1 1 1 29 0  9  o 7.1484  0.2499 7.0882  -134.8000 0.00   0.00   0.00   0.00   
1 1 1 29 0  10 f 1.0488  0.8209 0.7612  -0.2000   -0.02  0.00   0.00   0.00   
1 1 1 29 0  11 o 7.6811  0.2763 5.2173  135.100   0.02   -0.02  0.00   0.00   
1 1 1 29 0  12 f 4.8580  0.3983 2.2834  90.700    -0.00  -0.04  0.00   0.00   
1 1 1 29 0  13 o 19.563  0.2124 8.9202  44.900    0.06   0.06   0.00   0.00   
1 1 1 29 0  14 o 20.501  0.2148 24.872  0.0000    0.16   0.00   0.00   0.00   
1 1 1 29 0  15 o 23.856  0.2284 25.416  135.000   -0.39  0.39   0.00   0.00   
1 1 1 29 0  16 o 17.916  0.2232 21.232  -90.0000  -0.00  -0.21  0.00   0.00   
1 1 1 29 0  17 o 9.0940  0.3492 5.6100  -135.0000 -0.05  -0.05  0.00   0.00   
1 1 1 29 0  18 o 3.3615  0.6805 3.7732  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 29 0  19 o 16.514  0.2505 13.287  -45.0000  0.11   -0.11  0.00   0.00   
1 1 1 29 0  20 o 13.605  0.2984 10.159  90.000    -0.00  -0.11  0.00   0.00   
1 1 1 29 0  21 o 3.6056  0.7726 3.2988  45.000    -0.08  -0.08  0.00   0.00   
1 1 1 29 0  22 o 11.584  0.3150 11.456  0.0000    -0.19  0.00   0.00   0.00   
1 1 1 29 0  23 o 10.129  0.4078 12.633  135.000   -0.10  0.10   0.00   0.00   
1 1 1 29 0  24 o 4.2779  0.9771 ?       ?         0.00   0.47   0.00   0.00   
1 1 1 29 0  25 o 6.6708  1.3529 ?       ?         0.32   0.32   0.00   0.00   
1 1 1 29 1  0  o 8.3606  0.1814 27.233  -0.1000   -0.11  0.00   0.00   0.00   
1 1 1 29 1  1  o 25.460  0.3480 29.195  33.900    3.13   1.36   -0.54  -0.44  
1 1 1 29 1  2  o 15.448  0.1269 16.829  45.600    1.35   1.11   -0.67  -1.44  
1 1 1 29 1  3  o 40.225  0.2062 39.004  -34.0000  -0.53  -2.68  1.10   -1.43  
1 1 1 29 1  4  o 14.233  0.1617 11.529  -113.7000 -3.21  1.18   -3.96  2.16   
1 1 1 29 1  5  o 22.320  0.1952 19.437  10.600    1.92   -2.88  2.07   2.31   
1 1 1 29 1  6  o 41.381  0.1958 35.029  -152.2000 0.00   -0.08  -0.01  0.01   
1 1 1 29 1  7  o 16.304  0.3846 10.734  1.5000    3.58   -7.30  1.80   2.83   
1 1 1 29 1  8  o 14.164  0.8517 14.470  3.1000    16.65  5.16   -3.14  -2.39  
1 1 1 29 1  9  o 13.119  0.1817 8.5138  -78.4000  -0.65  1.01   0.16   0.24   
1 1 1 29 1  10 o 35.144  0.1700 37.122  55.100    0.17   -0.38  -0.37  -0.14  
1 1 1 29 1  11 o 20.863  0.1362 17.656  61.600    -0.17  0.65   0.12   0.18   
1 1 1 29 1  12 o 21.087  0.1795 16.065  -11.1000  1.30   2.80   1.93   -0.88  
1 1 1 29 1  13 o 14.387  0.1493 14.603  -155.5000 0.37   -0.95  0.20   0.61   
1 1 1 29 1  14 o 25.876  0.1591 25.032  -111.6000 0.06   0.07   0.01   0.01   
1 1 1 29 1  15 o 10.787  0.2314 10.365  69.700    2.85   -0.19  -1.05  0.51   
1 1 1 29 1  16 o 21.560  0.4113 21.773  162.500   -4.57  -0.27  -0.89  -0.73  
1 1 1 29 1  17 o 12.342  0.1962 11.456  177.900   0.24   -0.55  0.21   -0.15  
1 1 1 29 1  18 o 15.353  0.2297 16.860  129.700   -1.02  -0.36  -0.02  -0.17  
1 1 1 29 1  19 o 13.781  0.2445 15.521  143.900   -0.95  0.52   0.06   0.15   
1 1 1 29 1  20 o 7.8654  0.8257 7.2947  120.900   -0.01  4.44   0.39   -0.11  
1 1 1 29 1  21 o 11.238  0.2383 10.735  -155.0000 -0.19  -0.16  0.02   0.00   
1 1 1 29 1  22 o 10.562  0.2618 10.541  -7.5000   0.47   -0.37  0.05   0.02   
1 1 1 29 1  23 o 7.8651  0.3645 8.6037  -49.0000  0.25   0.50   0.00   0.07   
1 1 1 29 1  24 o 4.2995  0.6537 ?       ?         -0.29  -0.51  -0.03  0.03   
1 1 1 29 1  25 o 9.8596  0.7338 ?       ?         0.40   0.16   -0.00  0.00   
1 1 1 29 2  0  o 6.5651  0.2066 3.9423  0.4000    0.07   0.00   0.00   0.00   
1 1 1 29 2  1  o 26.841  0.1414 20.937  -123.3000 -1.46  0.84   0.66   3.67   
1 1 1 29 2  2  o 13.346  0.5596 19.829  48.200    13.76  0.62   -3.88  -0.19  
1 1 1 29 2  3  f 44.988  0.2345 44.859  102.700   -5.33  2.01   -5.49  1.24   
1 1 1 29 2  4  o 16.396  0.6099 15.257  15.800    5.91   5.74   -0.16  -1.63  
1 1 1 29 2  5  o 51.931  0.2464 52.021  125.100   -0.14  0.19   -0.04  0.00   
1 1 1 29 2  6  o 30.474  0.1568 19.335  -27.3000  0.03   -0.45  0.10   -0.06  
1 1 1 29 2  7  o 36.086  0.1791 35.731  90.900    -0.10  -0.09  0.04   0.01   
1 1 1 29 2  8  o 20.073  0.1492 20.258  -160.0000 -0.19  -0.66  0.72   0.20   
1 1 1 29 2  9  o 44.800  0.8401 41.095  -53.9000  2.72   -9.52  1.26   0.52   
1 1 1 29 2  10 o 38.698  0.4029 39.019  -65.4000  1.92   0.84   -0.10  -0.27  
1 1 1 29 2  11 o 11.896  0.5296 13.327  -87.6000  10.26  -3.90  -2.61  2.03   
1 1 1 29 2  12 o 5.4246  0.2466 6.0085  47.400    -0.06  0.15   0.06   0.01   
1 1 1 29 2  13 o 16.476  0.1856 15.927  -178.8000 -0.53  0.69   0.07   0.11   
1 1 1 29 2  14 o 13.800  0.3486 17.053  -25.3000  1.98   -0.96  -0.14  0.29   
1 1 1 29 2  15 o 11.997  0.1646 12.260  -139.0000 -0.49  0.27   -0.49  -0.11  
1 1 1 29 2  16 f 24.087  0.2796 24.334  56.900    1.58   2.27   0.75   -0.25  
1 1 1 29 2  17 o 11.273  0.3202 9.4302  22.000    1.99   -0.87  -0.40  0.17   
1 1 1 29 2  18 o 14.075  0.2012 14.352  -102.3000 0.57   -0.20  -0.12  -0.09  
1 1 1 29 2  19 o 18.638  0.1846 18.816  72.400    0.09   1.21   0.01   0.32   
1 1 1 29 2  20 o 3.5166  0.4426 2.0921  4.9000    0.21   0.30   -0.06  -0.05  
1 1 1 29 2  21 o 3.9079  0.5234 3.3330  150.200   -0.76  0.27   -0.11  -0.01  
1 1 1 29 2  22 o 4.9477  0.4207 4.3435  16.500    0.17   0.13   -0.02  0.01   
1 1 1 29 2  23 o 5.5645  0.4653 4.6304  -134.5000 -0.02  -0.51  -0.00  -0.04  
1 1 1 29 2  24 o 4.5841  0.7024 ?       ?         0.32   0.20   0.01   0.01   
1 1 1 29 2  25 o 7.5829  0.9225 ?       ?         0.47   -0.05  0.00   0.00   
1 1 1 29 3  0  o 38.036  0.2585 32.645  0.1000    0.32   0.00   0.00   0.00   
1 1 1 29 3  1  o 7.3159  0.1324 9.1871  -110.7000 0.04   0.21   0.04   -0.01  
1 1 1 29 3  2  o 20.047  0.1468 29.223  -83.7000  -0.05  -0.70  0.32   -0.20  
1 1 1 29 3  3  o 30.761  0.1888 35.509  -102.8000 -2.25  -1.78  -0.94  -1.50  
1 1 1 29 3  4  o 7.8402  0.2988 6.1378  -12.2000  2.19   -0.14  -0.54  0.02   
1 1 1 29 3  5  o 21.245  0.4403 20.774  12.300    4.96   -3.43  -0.40  1.72   
1 1 1 29 3  6  o 18.564  0.1490 13.341  -125.3000 -0.43  0.00   -0.32  0.93   
1 1 1 29 3  7  o 21.998  0.1457 19.734  0.1000    1.42   1.44   0.57   -1.47  
1 1 1 29 3  8  o 46.322  0.8173 41.163  58.600    3.84   5.30   0.42   -0.69  
1 1 1 29 3  9  o 22.452  0.3240 24.020  -17.5000  1.32   4.05   0.93   -0.96  
1 1 1 29 3  10 o 6.2605  0.2235 2.4880  31.300    -0.51  -0.05  -0.15  -0.06  
1 1 1 29 3  11 o 28.821  0.1693 31.752  -35.1000  0.16   0.47   -0.64  -0.32  
1 1 1 29 3  12 f 29.173  0.4484 24.709  -107.2000 -2.55  -3.16  0.31   -0.59  
1 1 1 29 3  13 o 26.709  0.1731 25.300  150.200   -1.10  0.13   -0.23  0.43   
1 1 1 29 3  14 o 9.9520  0.2876 10.808  32.000    -0.46  1.90   0.33   0.29   
1 1 1 29 3  15 o 13.973  0.4684 15.216  58.500    1.84   3.52   0.21   -0.45  
1 1 1 29 3  16 o 10.789  0.1893 11.791  -77.6000  0.17   -0.01  -0.01  0.01   
1 1 1 29 3  17 o 24.496  0.1674 27.159  -63.8000  0.86   -0.67  -0.28  -0.07  
1 1 1 29 3  18 o 5.6611  0.3158 5.0673  156.000   0.06   0.21   0.01   -0.02  
1 1 1 29 3  19 o 15.009  0.2176 15.175  166.900   -0.01  0.12   -0.00  0.00   
1 1 1 29 3  20 o 5.5080  0.4551 4.1590  -29.1000  0.73   0.45   0.01   -0.08  
1 1 1 29 3  21 o 2.4492  0.6513 2.8590  -164.6000 0.03   -0.02  0.00   -0.00  
1 1 1 29 3  22 o 12.437  0.4774 11.623  -87.0000  -1.15  0.03   -0.04  -0.05  
1 1 1 29 3  23 o 7.3888  0.3711 7.6299  16.400    -0.21  0.09   0.01   -0.01  
1 1 1 29 3  24 o 6.3668  0.5589 ?       ?         0.34   -0.04  0.00   -0.01  
1 1 1 29 3  25 o 5.4173  1.0882 ?       ?         0.19   -0.07  0.00   -0.00  
1 1 1 29 4  0  o 6.1644  0.2343 7.1702  -0.3000   0.02   0.00   0.00   0.00   
1 1 1 29 4  1  o 15.879  0.3938 18.820  -88.2000  -2.22  -8.20  3.15   -1.52  
1 1 1 29 4  2  o 22.537  0.1347 24.499  -7.7000   0.18   -0.47  0.27   0.06   
1 1 1 29 4  3  o 35.839  0.2412 29.365  -130.4000 -0.86  -0.08  -0.09  -0.05  
1 1 1 29 4  4  o 33.571  0.1945 41.699  -92.4000  -4.05  -1.78  -5.01  -1.50  
1 1 1 29 4  5  o 48.239  0.2237 44.518  6.2000    1.42   -0.55  2.92   0.32   
1 1 1 29 4  6  o 14.217  0.1377 8.2929  -33.8000  -0.42  -0.09  -0.30  0.02   
1 1 1 29 4  7  o 22.241  0.6031 17.991  -73.9000  1.43   -4.51  0.37   0.32   
1 1 1 29 4  8  o 16.630  0.1732 15.630  -142.9000 -0.63  -0.42  0.03   -0.39  
1 1 1 29 4  9  o 24.499  0.5784 30.693  -96.2000  2.68   -8.04  1.14   1.03   
1 1 1 29 4  10 o 18.786  0.2759 12.776  32.900    4.14   -1.14  -1.62  1.58   
1 1 1 29 4  11 o 14.760  0.3450 12.101  -128.4000 0.84   -1.87  0.16   0.24   
1 1 1 29 4  12 o 21.874  0.2320 17.224  -113.4000 -1.94  0.83   -0.60  0.27   
1 1 1 29 4  13 o 20.806  0.1557 18.647  -93.8000  0.76   -0.61  -1.62  -0.03  
1 1 1 29 4  14 o 21.982  0.2510 20.866  -158.6000 -2.51  2.83   0.97   1.41   
1 1 1 29 4  15 o 15.860  0.1494 15.279  120.400   -0.15  0.58   -0.01  0.31   
1 1 1 29 4  16 o 15.954  0.2907 15.760  18.400    1.24   1.11   -0.20  -0.23  
1 1 1 29 4  17 f 14.870  0.1885 16.537  -160.6000 0.49   1.07   0.29   1.28   
1 1 1 29 4  18 o 7.8189  0.2375 8.5350  72.600    0.26   0.60   0.12   -0.02  
1 1 1 29 4  19 o 10.746  0.2708 11.872  -48.5000  -0.74  -2.26  0.15   -0.75  
1 1 1 29 4  20 o 11.067  0.2305 9.0931  8.3000    1.60   -0.21  -0.04  0.64   
1 1 1 29 4  21 o 9.0756  0.2563 8.7486  45.900    -0.18  -0.52  -0.00  0.15   
1 1 1 29 4  22 o 2.3630  1.1152 1.8772  -42.7000  0.13   0.38   0.02   -0.00  
1 1 1 29 4  23 o 8.3873  0.3302 7.9078  -175.0000 -0.86  0.68   -0.13  -0.24  
1 1 1 29 4  24 o 8.1017  0.4705 ?       ?         0.08   -0.94  -0.06  0.00   
1 1 1 29 4  25 o 14.101  1.1745 ?       ?         -1.37  -3.25  0.06   0.05   
1 1 1 29 5  0  o 13.590  0.1887 5.8759  -0.6000   0.14   0.00   0.00   0.00   
1 1 1 29 5  1  o 52.008  0.6956 49.397  -75.2000  -2.55  -9.09  1.60   -1.63  
1 1 1 29 5  2  f 19.397  0.3929 21.527  -152.9000 -9.77  0.41   -4.53  0.83   
1 1 1 29 5  3  o 22.891  0.1433 19.994  -54.0000  -0.01  0.38   0.11   -0.04  
1 1 1 29 5  4  o 32.307  0.1734 27.274  135.000   0.23   1.04   0.65   0.23   
1 1 1 29 5  5  f 10.043  0.4518 7.3992  -22.1000  -4.60  5.90   0.76   2.40   
1 1 1 29 5  6  o 22.609  0.2114 30.741  71.400    -0.62  2.24   0.64   0.64   
1 1 1 29 5  7  o 21.438  0.1277 25.128  -157.4000 0.16   0.23   0.33   0.14   
1 1 1 29 5  8  o 16.126  0.1466 15.384  -30.0000  -0.32  -1.50  1.05   -0.09  
1 1 1 29 5  9  o 14.217  0.1364 16.649  -153.6000 -0.89  -0.90  0.18   -0.70  
1 1 1 29 5  10 o 42.416  0.2121 41.794  168.800   -1.20  0.90   -0.52  0.22   
1 1 1 29 5  11 o 25.583  0.1741 29.329  23.700    0.02   0.01   0.00   -0.00  
1 1 1 29 5  12 o 34.868  0.4234 31.524  178.000   -0.15  -6.40  1.95   0.70   
1 1 1 29 5  13 o 21.008  0.2932 20.038  39.100    -1.54  2.78   0.22   0.71   
1 1 1 29 5  14 o 20.998  0.2628 16.609  -99.6000  0.14   -3.17  1.00   0.64   
1 1 1 29 5  15 o 4.2949  0.3475 4.8028  -103.8000 0.01   0.09   0.00   0.00   
1 1 1 29 5  16 o 8.6224  0.4069 9.2199  12.300    1.07   -0.32  -0.06  0.07   
1 1 1 29 5  17 o 6.8957  0.2550 5.5247  -96.2000  -0.00  -0.13  -0.06  0.02   
1 1 1 29 5  18 o 6.0755  0.4127 6.6649  110.900   1.39   -0.68  -0.07  0.23   
1 1 1 29 5  19 o 4.2961  0.7201 2.2704  70.800    -0.48  -0.11  -0.02  -0.00  
1 1 1 29 5  20 o 12.325  0.2078 14.452  12.700    1.38   -0.68  1.14   0.15   
1 1 1 29 5  21 o 10.897  0.3330 8.5782  -165.5000 -0.73  0.49   -0.07  0.01   
1 1 1 29 5  22 o 9.6733  0.3786 9.0771  129.600   -0.47  0.55   -0.04  0.03   
1 1 1 29 5  23 o 4.1778  0.8037 4.3726  162.500   0.04   -0.51  0.01   0.03   
1 1 1 29 5  24 o 3.0092  0.8986 ?       ?         0.41   0.08   0.02   -0.01  
1 1 1 29 5  25 o 8.2607  0.8229 ?       ?         0.66   0.04   0.00   -0.01  
1 1 1 29 6  0  o 73.198  0.4380 71.323  -180.0000 -0.47  0.00   0.00   0.00   
1 1 1 29 6  1  o 63.063  0.2721 59.823  -85.6000  -1.12  -0.54  -0.63  0.54   
1 1 1 29 6  2  o 28.288  0.2568 28.211  -153.0000 -0.84  -0.81  -0.04  -0.15  
1 1 1 29 6  3  o 29.372  0.2221 28.233  -50.8000  -1.12  -3.16  2.06   -0.64  
1 1 1 29 6  4  o 23.657  0.3431 23.402  -120.1000 -4.78  0.67   -1.60  0.80   
1 1 1 29 6  5  o 37.069  0.1791 36.073  177.100   -0.71  -0.03  -0.18  0.15   
1 1 1 29 6  6  f 8.7071  0.2521 3.8327  19.500    2.00   0.06   -0.48  -0.07  
1 1 1 29 6  7  o 10.948  0.1617 10.400  -13.3000  -0.05  -0.01  0.01   -0.04  
1 1 1 29 6  8  o 19.530  0.5334 19.574  36.900    8.48   4.52   -1.09  -1.95  
1 1 1 29 6  9  o 27.375  0.6410 24.872  -153.1000 -8.20  2.39   -1.48  0.66   
1 1 1 29 6  10 o 17.940  0.3039 23.629  -148.3000 -2.66  0.38   -0.56  0.07   
1 1 1 29 6  11 o 14.546  0.9616 17.524  82.700    -7.13  23.26  4.13   3.14   
1 1 1 29 6  12 f 7.9094  0.1855 7.3852  -43.2000  0.42   0.04   -0.53  0.33   
1 1 1 29 6  13 o 8.7090  0.1894 10.795  166.400   0.46   -0.61  0.00   0.19   
1 1 1 29 6  14 f 10.359  0.1837 12.117  -15.4000  0.15   -0.24  0.06   0.03   
1 1 1 29 6  15 o 9.1625  0.1974 10.197  -9.2000   0.16   0.22   0.07   -0.03  
1 1 1 29 6  16 o 12.175  0.3765 10.697  -123.0000 -1.38  -3.34  0.85   -0.37  
1 1 1 29 6  17 f 22.171  0.1942 18.301  -15.0000  0.68   0.02   -0.03  0.07   
1 1 1 29 6  18 o 6.7192  0.4774 7.3650  10.900    1.45   0.16   -0.15  0.01   
1 1 1 29 6  19 o 4.2845  0.5043 3.0786  173.400   0.18   -0.76  0.04   0.05   
1 1 1 29 6  20 o 17.710  0.1853 18.913  71.200    1.76   0.18   0.25   0.79   
1 1 1 29 6  21 f 3.1392  0.6572 7.0779  46.300    0.61   0.67   0.14   -0.11  
1 1 1 29 6  22 o 7.2919  0.3094 6.9838  57.900    0.17   -0.14  0.01   0.00   
1 1 1 29 6  23 o 6.9621  0.4207 7.2089  -131.0000 -0.20  -0.25  -0.02  0.00   
1 1 1 29 6  24 o 5.5668  0.6829 ?       ?         -1.03  -0.24  -0.03  0.04   
1 1 1 29 6  25 o 4.3738  1.2449 ?       ?         -0.10  -0.51  -0.01  0.01   
1 1 1 29 7  0  f 45.007  0.2947 31.714  180.000   0.34   0.00   0.00   0.00   
1 1 1 29 7  1  o 49.947  0.2228 51.019  119.700   -0.22  1.34   0.80   -1.21  
1 1 1 29 7  2  o 14.607  0.6011 17.899  138.200   -6.87  8.30   0.31   2.13   
1 1 1 29 7  3  o 18.272  0.5229 18.860  113.000   -1.13  4.25   0.61   0.28   
1 1 1 29 7  4  o 51.693  0.6468 43.917  -139.2000 -6.92  -0.89  -1.53  0.10   
1 1 1 29 7  5  o 22.420  0.3463 24.963  -122.2000 -7.25  1.19   -2.96  1.51   
1 1 1 29 7  6  o 9.8275  0.4804 8.2531  134.400   -4.14  5.60   0.54   1.51   
1 1 1 29 7  7  o 20.798  0.5175 17.842  82.300    1.07   9.19   2.78   -1.02  
1 1 1 29 7  8  o 10.195  0.5238 10.935  24.800    7.23   6.11   -0.44  -2.07  
1 1 1 29 7  9  o 17.636  0.3583 17.187  -26.1000  1.96   -0.84  -0.28  0.20   
1 1 1 29 7  10 f 9.5626  0.1503 8.9700  -113.9000 -0.17  -0.12  0.01   -0.09  
1 1 1 29 7  11 o 24.788  0.5442 26.190  -25.1000  6.35   -7.74  1.02   2.63   
1 1 1 29 7  12 o 6.6732  0.2113 7.8239  -76.9000  0.29   -0.35  0.26   0.31   
1 1 1 29 7  13 o 11.075  0.7095 11.402  155.600   -11.74 3.95   -2.23  1.40   
1 1 1 29 7  14 o 13.656  0.1570 13.018  -174.8000 -0.18  -0.01  -0.03  0.06   
1 1 1 29 7  15 o 20.514  0.4405 22.736  -126.7000 -5.30  -3.00  -1.20  -0.93  
1 1 1 29 7  16 o 10.127  0.2028 10.491  -79.6000  -0.89  -0.83  -0.61  -0.41  
1 1 1 29 7  17 o 11.585  0.1886 11.380  -53.2000  -0.06  -0.65  0.07   -0.16  
1 1 1 29 7  18 o 12.583  0.3744 12.282  7.8000    2.75   0.06   -0.45  0.17   
1 1 1 29 7  19 f 2.6156  0.6533 0.4919  -35.2000  0.14   0.04   -0.01  0.00   
1 1 1 29 7  20 o 5.7904  0.3730 6.6057  -40.6000  -0.12  -0.04  -0.00  0.01   
1 1 1 29 7  21 o 3.0333  0.6208 2.7354  56.700    -0.12  0.11   0.01   0.00   
1 1 1 29 7  22 o 4.4604  0.4905 3.5091  14.000    0.13   -0.12  -0.01  -0.00  
1 1 1 29 7  23 o 9.7325  0.3136 ?       ?         0.69   0.82   0.00   0.14   
1 1 1 29 7  24 o 2.7702  1.0348 ?       ?         0.45   0.57   -0.03  0.08   
1 1 1 29 7  25 o 14.444  0.9081 ?       ?         1.23   -1.61  -0.03  0.00   
1 1 1 29 8  0  o 39.045  0.3327 40.092  0.0000    -0.41  0.00   0.00   0.00   
1 1 1 29 8  1  o 49.234  0.2217 39.133  -10.0000  1.34   0.23   3.62   -0.70  
1 1 1 29 8  2  o 13.140  0.4617 8.7769  20.900    3.67   3.87   0.14   -1.11  
1 1 1 29 8  3  o 23.066  0.1899 27.008  5.4000    0.70   -2.47  1.10   1.49   
1 1 1 29 8  4  o 26.928  0.9018 23.305  155.800   -15.66 5.70   -2.55  1.80   
1 1 1 29 8  5  o 24.393  0.3973 21.944  158.600   -0.24  5.42   1.43   -0.08  
1 1 1 29 8  6  o 10.186  0.1416 15.670  178.600   -0.35  0.00   -0.16  0.06   
1 1 1 29 8  7  o 14.141  0.1675 13.076  -35.4000  0.68   0.48   3.37   -2.63  
1 1 1 29 8  8  o 36.507  0.3889 35.322  -111.5000 -1.68  -2.43  0.05   -0.47  
1 1 1 29 8  9  o 23.196  0.1407 23.039  78.000    0.42   0.28   -0.34  -0.07  
1 1 1 29 8  10 o 11.773  0.1391 11.912  96.400    -0.11  -0.17  0.06   -0.05  
1 1 1 29 8  11 o 13.043  0.4189 7.9088  -7.6000   5.27   0.42   -1.25  -0.06  
1 1 1 29 8  12 o 11.509  0.1495 12.935  -107.9000 0.24   -0.42  -0.01  0.25   
1 1 1 29 8  13 o 9.8485  0.3377 10.738  139.100   -2.03  -1.19  -0.15  -0.42  
1 1 1 29 8  14 o 19.852  0.2624 20.388  -114.0000 -0.96  -2.41  0.28   -0.69  
1 1 1 29 8  15 o 20.336  0.4089 20.487  -158.1000 0.45   -3.71  0.51   0.36   
1 1 1 29 8  16 o 10.486  0.1929 9.4067  38.900    0.29   -0.19  0.22   -0.22  
1 1 1 29 8  17 o 14.686  0.1907 14.822  -105.5000 0.23   -0.45  -0.08  -0.28  
1 1 1 29 8  18 o 4.2016  0.5168 4.0287  143.500   0.32   0.12   -0.01  -0.00  
1 1 1 29 8  19 o 2.9892  0.5259 3.9733  -87.2000  0.24   -0.10  -0.05  -0.01  
1 1 1 29 8  20 o 5.4244  0.5451 5.7415  -30.7000  -0.36  0.80   0.05   0.02   
1 1 1 29 8  21 o 3.7802  1.3766 3.6915  -132.4000 -0.44  -1.03  0.03   -0.07  
1 1 1 29 8  22 f 7.6969  0.3216 7.9950  141.900   -1.10  0.55   0.13   0.16   
1 1 1 29 8  23 o 6.6999  0.4345 ?       ?         -0.60  -0.25  0.03   0.06   
1 1 1 29 8  24 o 2.1378  1.1835 ?       ?         0.10   0.10   -0.00  0.00   
1 1 1 29 8  25 o 7.9743  0.8582 ?       ?         0.43   0.22   -0.00  0.00   
1 1 1 29 9  0  o 5.3385  0.2159 9.3355  0.2000    -0.02  0.00   0.00   0.00   
1 1 1 29 9  1  o 13.984  0.1511 13.744  15.500    0.21   2.07   1.45   -0.68  
1 1 1 29 9  2  o 42.373  0.8527 39.782  71.300    10.80  7.15   -1.38  -2.16  
1 1 1 29 9  3  o 28.341  0.1448 28.682  93.900    0.87   0.44   -1.77  0.51   
1 1 1 29 9  4  o 22.391  0.3831 32.250  -96.8000  -4.19  -4.21  0.35   -2.13  
1 1 1 29 9  5  f 19.724  0.1427 24.132  -115.1000 -1.94  -1.67  -1.01  -2.07  
1 1 1 29 9  6  o 19.321  0.5864 13.994  20.900    5.33   12.71  3.70   -3.10  
1 1 1 29 9  7  o 37.329  0.6751 38.857  86.800    -6.30  11.61  3.13   3.12   
1 1 1 29 9  8  o 23.265  0.2714 16.934  -71.5000  -1.22  -4.57  1.54   -1.30  
1 1 1 29 9  9  o 16.831  0.1965 16.265  -163.5000 -0.67  -0.54  0.01   -0.16  
1 1 1 29 9  10 f 19.185  0.2163 20.932  149.400   1.22   4.50   2.39   -2.37  
1 1 1 29 9  11 o 5.6488  0.3717 2.6546  30.400    1.57   1.92   0.16   -0.53  
1 1 1 29 9  12 o 29.386  0.5472 29.572  -143.1000 -5.35  -5.35  -0.28  -1.27  
1 1 1 29 9  13 o 19.243  0.1656 20.051  -178.7000 0.30   -2.17  0.82   1.00   
1 1 1 29 9  14 o 3.8115  0.7347 3.5887  -107.3000 -0.27  0.23   -0.00  0.01   
1 1 1 29 9  15 o 8.1557  0.3732 7.2333  -41.6000  -1.51  -1.35  -0.11  -0.30  
1 1 1 29 9  16 o 16.567  0.4061 16.635  12.300    1.45   -0.37  -0.07  0.09   
1 1 1 29 9  17 o 15.938  0.6952 15.445  -0.4000   5.64   -7.97  0.78   1.26   
1 1 1 29 9  18 o 9.0606  0.2328 8.1044  134.500   -0.43  0.91   -0.06  0.26   
1 1 1 29 9  19 o 11.985  0.2150 11.949  39.300    0.21   -0.01  0.01   -0.02  
1 1 1 29 9  20 o 9.6892  0.3751 10.554  179.700   -1.50  -2.75  0.83   -0.18  
1 1 1 29 9  21 o 4.1793  0.4696 4.0306  -82.4000  -0.09  0.68   0.06   -0.05  
1 1 1 29 9  22 o 4.2478  0.5301 4.8516  164.300   -0.20  0.03   -0.00  -0.01  
1 1 1 29 9  23 o 6.8440  0.8889 ?       ?         0.44   0.73   -0.01  -0.02  
1 1 1 29 9  24 o 4.9681  0.7763 ?       ?         0.50   -0.63  -0.04  -0.02  
1 1 1 29 9  25 o 5.7133  1.2631 ?       ?         -0.31  0.08   0.00   0.00   
1 1 1 29 10 0  o 22.749  0.1983 26.745  -0.0000   -0.08  0.00   0.00   0.00   
1 1 1 29 10 1  o 40.699  0.1892 42.726  -119.3000 -0.72  -1.24  -3.84  2.41   
1 1 1 29 10 2  o 12.990  0.1264 11.690  1.8000    0.15   0.12   -0.37  -0.06  
1 1 1 29 10 3  o 21.468  0.3541 24.302  84.400    2.63   0.69   -0.50  -0.18  
1 1 1 29 10 4  o 22.511  0.1426 27.927  97.800    -1.19  1.36   -0.45  1.47   
1 1 1 29 10 5  o 8.2389  0.4393 4.6335  116.200   -6.55  7.68   0.46   4.02   
1 1 1 29 10 6  o 37.613  0.4926 35.920  -45.3000  2.52   -2.39  0.13   0.53   
1 1 1 29 10 7  o 24.157  0.5027 20.262  50.800    7.72   -2.89  -1.22  1.31   
1 1 1 29 10 8  o 44.016  0.2104 36.090  122.600   -0.63  0.92   -0.94  -2.38  
1 1 1 29 10 9  o 12.770  0.2194 12.061  112.400   0.66   1.26   0.15   -0.33  
1 1 1 29 10 10 o 32.762  0.1742 31.730  -72.3000  0.42   -0.75  -0.16  0.41   
1 1 1 29 10 11 o 21.429  0.1375 23.991  -121.0000 -2.86  0.01   -2.74  1.69   
1 1 1 29 10 12 o 17.934  0.1464 13.446  159.700   0.48   -0.15  -0.40  -0.35  
1 1 1 29 10 13 f 23.784  0.1614 26.089  -155.7000 1.16   -0.65  -0.66  0.05   
1 1 1 29 10 14 o 5.3722  0.5057 6.5395  113.800   0.76   0.82   0.02   -0.07  
1 1 1 29 10 15 o 7.3609  0.2222 5.8582  78.600    -0.33  0.11   -0.13  -0.03  
1 1 1 29 10 16 o 7.0429  0.2620 5.5153  -76.2000  -0.92  -1.44  -0.04  -0.69  
1 1 1 29 10 17 f 4.4160  0.3823 5.5624  4.0000    -0.10  -0.15  0.03   0.14   
1 1 1 29 10 18 o 11.555  0.2037 11.602  84.300    0.37   0.90   -0.15  -0.28  
1 1 1 29 10 19 o 14.058  0.1892 13.917  77.800    0.30   1.33   -0.37  -0.45  
1 1 1 29 10 20 o 12.994  0.2144 13.022  170.300   -1.33  0.07   0.45   -0.34  
1 1 1 29 10 21 o 6.8397  0.4030 7.1947  142.000   -0.46  0.18   -0.03  -0.00  
1 1 1 29 10 22 o 4.0739  1.0598 4.9081  97.300    0.80   -0.26  -0.04  0.01   
1 1 1 29 10 23 o 4.6321  0.5277 ?       ?         0.28   -0.64  0.04   -0.03  
1 1 1 29 10 24 o 8.6783  0.5478 ?       ?         0.71   1.49   -0.10  -0.00  
1 1 1 29 10 25 o 8.9525  0.6244 ?       ?         0.08   0.05   0.00   0.00   
1 1 1 29 11 0  o 27.131  0.2103 22.208  -179.9000 -0.05  0.00   0.00   0.00   
1 1 1 29 11 1  o 10.947  0.4509 5.5172  -154.8000 -6.22  -3.36  -1.27  -1.69  
1 1 1 29 11 2  o 8.5624  0.1477 9.6086  -64.7000  1.71   -0.02  -1.17  -0.16  
1 1 1 29 11 3  o 13.320  0.6180 15.692  -61.2000  5.67   -11.98 2.09   2.32   
1 1 1 29 11 4  o 22.743  0.2991 16.166  78.500    -1.09  2.47   0.46   0.36   
1 1 1 29 11 5  o 7.1664  0.3452 5.2021  -103.7000 -8.25  2.84   -4.24  2.96   
1 1 1 29 11 6  o 16.750  0.1802 15.139  92.200    0.31   0.47   0.00   -0.14  
1 1 1 29 11 7  o 7.3084  0.1784 9.1356  149.000   -1.69  -0.73  -1.12  -0.89  
1 1 1 29 11 8  f 11.880  0.4750 6.0296  -0.1000   1.65   6.90   1.81   -0.73  
1 1 1 29 11 9  o 21.296  0.1555 15.052  138.100   -0.75  0.27   -0.16  0.05   
1 1 1 29 11 10 o 8.1428  0.5289 3.6704  -158.7000 -1.22  -2.77  0.27   -0.25  
1 1 1 29 11 11 o 22.520  0.2342 21.341  -97.8000  2.40   -1.82  -0.68  0.92   
1 1 1 29 11 12 o 12.444  0.3496 7.2478  -84.9000  -3.27  0.63   -0.61  0.15   
1 1 1 29 11 13 o 21.346  0.2329 22.089  106.800   2.33   0.21   -0.62  -0.51  
1 1 1 29 11 14 o 20.452  0.1516 22.204  -24.9000  0.51   0.35   0.46   0.02   
1 1 1 29 11 15 f 8.3549  0.2215 7.7779  -47.3000  0.90   0.29   -0.28  0.00   
1 1 1 29 11 16 o 10.370  0.3162 10.336  10.0000   0.85   0.57   -0.07  -0.07  
1 1 1 29 11 17 o 5.1754  0.3470 4.5045  -161.4000 0.55   0.18   -0.06  -0.01  
1 1 1 29 11 18 o 13.730  0.1787 13.735  135.500   -0.23  0.00   0.01   -0.02  
1 1 1 29 11 19 o 3.9243  0.4492 4.8099  58.200    -0.00  0.11   -0.01  0.01   
1 1 1 29 11 20 o 4.5621  0.4266 5.7569  137.500   0.08   0.16   -0.01  -0.01  
1 1 1 29 11 21 o 7.3467  0.3480 7.2934  -141.0000 -0.57  -0.04  -0.01  -0.04  
1 1 1 29 11 22 o 13.918  0.2474 15.132  148.300   -1.08  1.17   -0.08  -0.37  
1 1 1 29 11 23 o 9.5564  0.3505 ?       ?         0.85   -0.93  -0.07  -0.14  
1 1 1 29 11 24 o 2.6604  1.3323 ?       ?         -0.09  0.15   0.00   -0.00  
1 1 1 29 11 25 o 5.5517  0.8168 ?       ?         0.19   0.62   0.00   0.01   
1 1 1 29 12 0  o 4.6690  0.2439 8.8496  0.2000    0.06   0.00   0.00   0.00   
1 1 1 29 12 1  o 21.083  0.1336 28.502  -173.3000 -0.67  -0.82  0.30   -0.43  
1 1 1 29 12 2  o 14.720  0.1722 7.4206  35.600    1.99   0.50   -0.74  -0.59  
1 1 1 29 12 3  o 9.3726  0.4792 15.840  -170.3000 0.42   -8.80  2.35   0.12   
1 1 1 29 12 4  o 20.629  0.1225 19.916  -101.9000 -0.52  0.07   -0.28  0.45   
1 1 1 29 12 5  o 54.693  0.2432 60.041  39.100    0.21   2.94   1.11   1.96   
1 1 1 29 12 6  o 50.645  0.2267 44.897  134.900   0.11   0.51   -0.27  0.05   
1 1 1 29 12 7  o 27.399  0.1601 28.924  -173.9000 -1.62  2.32   1.47   1.57   
1 1 1 29 12 8  o 11.914  0.1439 10.475  -99.1000  -0.42  1.04   0.45   0.24   
1 1 1 29 12 9  o 15.290  0.2999 14.476  -75.2000  5.23   -1.05  -2.04  0.54   
1 1 1 29 12 10 o 22.767  0.1470 20.272  52.700    1.68   -0.47  -0.50  1.14   
1 1 1 29 12 11 o 36.065  0.2260 43.347  -170.1000 -1.86  0.74   -0.06  0.58   
1 1 1 29 12 12 o 9.3611  0.3161 8.7521  -15.3000  1.42   -1.96  0.18   0.37   
1 1 1 29 12 13 o 4.1579  0.3311 2.7199  -61.2000  1.04   0.49   -0.11  -0.19  
1 1 1 29 12 14 o 14.580  0.1689 8.7060  94.900    -1.18  1.31   0.43   0.57   
1 1 1 29 12 15 o 12.055  0.1780 11.673  44.100    -0.10  0.16   -0.04  -0.05  
1 1 1 29 12 16 o 2.7968  0.5036 3.0462  -70.7000  -0.03  0.02   0.01   -0.00  
1 1 1 29 12 17 o 4.2943  0.3843 2.2320  -3.4000   -0.15  0.31   -0.38  0.12   
1 1 1 29 12 18 o 19.809  0.1654 21.611  -65.7000  0.88   -1.13  -0.51  -0.43  
1 1 1 29 12 19 o 12.205  0.2044 12.815  1.4000    0.72   -0.90  0.41   -0.13  
1 1 1 29 12 20 o 10.096  0.3034 10.462  158.500   -0.39  -0.34  -0.03  -0.01  
1 1 1 29 12 21 o 5.9072  0.3808 6.0179  145.500   -0.42  0.28   0.03   0.03   
1 1 1 29 12 22 o 4.6377  0.6060 3.7360  -6.3000   0.61   -0.61  0.05   0.03   
1 1 1 29 12 23 o 12.217  0.3608 ?       ?         1.94   0.57   -0.10  0.18   
1 1 1 29 12 24 o 5.7681  0.7517 ?       ?         -0.08  0.28   -0.00  0.00   
1 1 1 29 12 25 o 5.7569  0.8072 ?       ?         0.12   0.29   -0.00  0.00   
1 1 1 29 12 26 o 2.6458  2.0117 ?       ?         -0.35  0.74   0.00   0.00   
1 1 1 29 13 0  o 23.747  0.2149 22.648  180.000   0.29   0.00   0.00   0.00   
1 1 1 29 13 1  o 31.648  0.4011 24.618  -15.8000  0.21   -11.50 6.46   -1.09  
1 1 1 29 13 2  o 21.636  0.1265 18.096  13.400    -0.18  -0.16  0.44   0.13   
1 1 1 29 13 3  o 13.997  0.7640 4.1499  -171.0000 -0.23  16.35  3.12   0.22   
1 1 1 29 13 4  o 14.367  0.1145 11.209  -48.7000  0.14   -0.27  0.05   0.03   
1 1 1 29 13 5  o 11.578  0.1546 9.6910  -104.9000 0.35   -0.36  -0.10  0.25   
1 1 1 29 13 6  o 43.203  0.2135 41.452  -105.4000 -0.25  -0.93  -0.08  -0.55  
1 1 1 29 13 7  o 14.782  0.2134 17.035  -81.2000  -1.48  -2.72  0.56   -1.22  
1 1 1 29 13 8  o 10.410  0.2428 10.282  -35.4000  0.53   -1.53  0.24   0.25   
1 1 1 29 13 9  o 15.111  0.1563 10.219  -68.7000  1.84   0.92   -0.91  -0.71  
1 1 1 29 13 10 o 20.193  0.3616 18.098  46.600    1.57   3.09   0.50   -0.46  
1 1 1 29 13 11 o 17.339  0.1421 14.875  -124.2000 0.06   0.03   -0.01  0.02   
1 1 1 29 13 12 f 12.620  0.2958 9.9165  169.000   -0.27  1.48   0.21   0.02   
1 1 1 29 13 13 f 14.145  0.1481 13.868  -10.0000  0.53   -0.08  -0.15  -0.06  
1 1 1 29 13 14 o 10.813  0.3066 9.5708  -50.9000  -1.02  -1.92  0.31   -0.26  
1 1 1 29 13 15 o 7.4161  0.2538 7.9183  62.500    0.47   0.02   -0.08  0.06   
1 1 1 29 13 16 o 12.165  0.2827 13.572  -161.2000 -0.59  -0.39  0.01   -0.06  
1 1 1 29 13 17 o 6.8764  0.2787 6.5498  145.400   -0.65  -0.09  -0.22  0.39   
1 1 1 29 13 18 o 21.143  0.1878 20.647  66.100    0.43   0.12   -0.00  0.04   
1 1 1 29 13 19 o 3.8439  0.4955 3.2805  141.400   0.02   -0.04  -0.00  -0.00  
1 1 1 29 13 20 o 13.159  0.2207 11.762  67.400    1.12   2.30   0.78   0.33   
1 1 1 29 13 21 o 16.180  0.2438 17.516  -18.2000  0.90   -0.40  0.07   0.05   
1 1 1 29 13 22 o 7.8081  0.3557 7.2355  43.300    0.36   -0.27  0.04   -0.02  
1 1 1 29 13 23 o 11.830  0.3156 ?       ?         0.18   -1.95  -0.07  -0.23  
1 1 1 29 13 24 o 11.046  0.4468 ?       ?         0.95   -2.09  -0.12  -0.01  
1 1 1 29 13 25 o 6.5430  1.4319 ?       ?         0.45   1.13   0.03   0.02   
1 1 1 29 14 0  o 20.057  0.1705 12.126  179.800   -0.00  0.00   0.00   0.00   
1 1 1 29 14 1  o 20.364  0.7504 20.942  69.900    -2.42  24.70  7.45   1.01   
1 1 1 29 14 2  o 9.1701  0.1781 14.831  -58.7000  1.50   0.05   -0.47  -0.09  
1 1 1 29 14 3  o 14.655  0.5689 12.850  110.800   -0.52  12.30  3.08   0.09   
1 1 1 29 14 4  o 22.076  0.3172 18.705  -154.1000 -3.78  2.17   -0.52  1.62   
1 1 1 29 14 5  o 22.659  0.3066 28.085  -3.2000   0.33   -1.40  0.18   0.05   
1 1 1 29 14 6  o 14.564  0.1225 9.5456  -131.0000 -0.27  -0.93  0.48   -0.14  
1 1 1 29 14 7  o 28.577  0.2699 25.469  -149.6000 0.56   -4.01  1.52   1.17   
1 1 1 29 14 8  o 11.828  0.1588 8.5601  -70.9000  2.31   1.04   -1.32  -3.19  
1 1 1 29 14 9  o 6.4858  0.2849 5.9575  -101.9000 2.46   0.46   -0.69  -0.35  
1 1 1 29 14 10 o 15.754  0.1497 15.073  121.000   0.24   0.05   -0.07  0.02   
1 1 1 29 14 11 o 19.644  0.5579 23.085  37.300    1.74   10.60  2.18   -0.43  
1 1 1 29 14 12 o 18.617  0.1532 22.058  80.300    -1.11  0.57   -0.82  0.04   
1 1 1 29 14 13 o 19.945  0.1484 20.053  -81.8000  0.28   0.27   -0.20  0.23   
1 1 1 29 14 14 o 14.389  0.1588 14.642  -84.1000  0.07   -0.33  -0.22  0.07   
1 1 1 29 14 15 o 7.4182  0.4689 10.083  -115.3000 0.91   -1.19  0.00   0.13   
1 1 1 29 14 16 o 14.825  0.1682 15.039  124.500   -0.63  1.01   -1.32  -0.75  
1 1 1 29 14 17 o 8.7762  0.2378 6.8994  109.300   -0.14  0.06   -0.02  -0.01  
1 1 1 29 14 18 o 4.5521  0.3781 3.3591  82.300    -0.04  -0.17  -0.01  -0.03  
1 1 1 29 14 19 o 13.371  0.2921 14.263  4.6000    0.57   0.92   -0.04  -0.10  
1 1 1 29 14 20 o 8.7823  0.2677 9.6402  80.900    0.19   0.87   -0.10  0.34   
1 1 1 29 14 21 o 7.1730  0.4392 7.7623  118.100   -0.27  -0.52  -0.01  -0.03  
1 1 1 29 14 22 o 4.1462  0.5430 5.2478  30.100    -0.02  -0.17  -0.00  -0.01  
1 1 1 29 14 23 o 3.9986  1.7980 ?       ?         0.09   -0.70  0.03   -0.02  
1 1 1 29 14 24 o 4.8995  0.7479 ?       ?         -0.40  -0.92  -0.04  0.04   
1 1 1 29 14 25 o 2.7177  1.2590 ?       ?         -0.37  -0.39  0.01   0.01   
1 1 1 29 15 0  o 19.342  0.1564 29.670  -0.0000   0.23   0.00   0.00   0.00   
1 1 1 29 15 1  o 16.131  0.1065 16.931  -27.5000  0.06   0.12   0.15   0.15   
1 1 1 29 15 2  f 24.428  0.3837 22.224  113.900   -2.60  2.39   -0.22  0.73   
1 1 1 29 15 3  o 37.493  0.2377 34.621  63.500    -0.35  0.81   0.13   0.03   
1 1 1 29 15 4  f 23.783  0.3070 26.815  22.600    2.83   4.35   1.50   -1.95  
1 1 1 29 15 5  o 59.648  0.2606 61.355  -104.8000 -1.00  -1.18  -0.66  1.66   
1 1 1 29 15 6  o 17.726  0.3741 16.794  -133.5000 -0.68  -9.90  4.09   -0.17  
1 1 1 29 15 7  o 31.561  0.2359 29.870  -67.7000  0.23   -0.89  0.07   0.11   
1 1 1 29 15 8  o 24.370  0.5504 25.598  -138.0000 2.54   -12.60 3.39   1.99   
1 1 1 29 15 9  o 9.2073  0.1671 7.7200  91.200    -0.63  0.17   -1.45  -0.39  
1 1 1 29 15 10 o 13.776  0.2107 17.139  74.900    1.36   1.81   0.39   -0.67  
1 1 1 29 15 11 o 19.281  0.2332 22.154  7.5000    3.94   -1.42  -1.03  1.61   
1 1 1 29 15 12 o 24.194  0.7104 25.772  67.100    6.09   9.57   0.48   -1.93  
1 1 1 29 15 13 o 7.0986  0.3040 7.0290  -14.8000  -0.21  -2.68  0.72   -0.29  
1 1 1 29 15 14 o 4.8684  0.3002 4.3609  51.000    -0.14  0.25   0.00   0.03   
1 1 1 29 15 15 o 23.721  0.1900 22.046  -20.9000  1.48   0.16   -0.06  -0.35  
1 1 1 29 15 16 o 5.3927  0.4290 4.3486  168.100   -0.77  -0.92  -0.02  -0.15  
1 1 1 29 15 17 f 6.1494  0.3008 9.6179  65.700    0.34   0.64   0.01   -0.09  
1 1 1 29 15 18 o 6.7492  0.4370 6.8984  -73.2000  -0.11  0.64   0.03   -0.00  
1 1 1 29 15 19 o 7.4522  0.2873 7.8947  4.2000    -1.22  0.01   -0.17  0.28   
1 1 1 29 15 20 o 4.4550  0.5284 3.0080  64.000    0.04   -0.64  0.03   -0.02  
1 1 1 29 15 21 o 11.572  0.2589 12.480  13.200    1.21   -0.30  -0.06  -0.16  
1 1 1 29 15 22 o 4.4180  0.8696 3.6027  -95.3000  0.04   -0.47  0.01   0.01   
1 1 1 29 15 23 o 2.2139  1.0104 ?       ?         0.20   0.06   0.01   0.00   
1 1 1 29 15 24 o 2.2941  1.2778 ?       ?         0.55   0.24   -0.01  0.04   
1 1 1 29 15 25 f 3.9371  1.3876 ?       ?         0.37   -0.52  -0.02  -0.01  
1 1 1 29 16 0  o 17.802  0.2738 17.416  -179.9000 0.13   0.00   0.00   0.00   
1 1 1 29 16 1  o 10.585  1.1569 13.031  -60.6000  -2.36  -27.07 4.24   -0.86  
1 1 1 29 16 2  o 47.386  0.2096 54.160  83.500    0.14   0.85   -0.75  0.42   
1 1 1 29 16 3  o 10.769  0.3177 7.8139  -39.0000  0.43   -4.04  1.32   0.44   
1 1 1 29 16 4  o 33.614  0.3206 33.808  171.100   -0.35  4.93   1.76   -0.24  
1 1 1 29 16 5  o 33.827  0.1661 37.336  -126.1000 0.75   -3.17  1.60   2.52   
1 1 1 29 16 6  o 27.562  0.3300 30.685  -138.1000 -2.26  -0.75  -0.41  -0.15  
1 1 1 29 16 7  o 10.159  0.2244 9.7977  25.300    -0.78  1.71   0.34   0.57   
1 1 1 29 16 8  o 8.2291  0.2368 2.9959  113.600   2.43   -0.51  -0.82  0.25   
1 1 1 29 16 9  o 8.8052  0.6339 7.1931  -115.6000 -2.66  -7.34  0.98   -0.73  
1 1 1 29 16 10 o 13.394  0.2606 13.061  -132.2000 0.55   -1.51  0.16   0.21   
1 1 1 29 16 11 o 17.279  0.3027 21.499  17.900    2.90   -2.52  0.09   1.00   
1 1 1 29 16 12 o 10.316  0.3177 8.2853  -164.5000 2.02   -3.13  0.73   0.95   
1 1 1 29 16 13 o 15.420  0.1481 18.846  2.9000    0.09   0.18   -0.09  0.06   
1 1 1 29 16 14 o 11.345  0.1804 12.479  159.900   0.54   0.02   -0.05  0.23   
1 1 1 29 16 15 o 8.2517  0.3800 9.2344  -124.7000 0.87   0.59   -0.05  -0.06  
1 1 1 29 16 16 o 14.072  0.2224 13.668  -148.6000 -3.62  -1.09  -0.68  -1.88  
1 1 1 29 16 17 f 8.4934  0.2385 7.1238  42.900    0.57   1.34   0.44   -0.01  
1 1 1 29 16 18 o 12.001  0.2021 13.676  -112.6000 -0.16  -0.39  -0.02  -0.03  
1 1 1 29 16 19 o 13.766  0.1956 13.637  -79.4000  -0.08  -1.25  -0.08  -0.26  
1 1 1 29 16 20 o 4.3135  0.4544 3.7456  61.400    0.05   0.10   0.00   0.00   
1 1 1 29 16 21 o 6.8080  0.3604 6.7095  46.000    0.36   -0.50  -0.04  -0.12  
1 1 1 29 16 22 o 1.6606  0.9467 ?       ?         -0.16  0.09   0.00   -0.02  
1 1 1 29 16 23 o 2.3899  1.1416 ?       ?         -0.35  0.26   0.03   0.01   
1 1 1 29 16 24 o 4.4791  0.8923 ?       ?         0.17   -0.29  -0.01  -0.00  
1 1 1 29 16 25 f 3.3178  1.2197 ?       ?         0.15   -0.32  -0.00  -0.00  
1 1 1 29 17 0  f 26.751  0.2518 26.457  -180.0000 0.12   0.00   0.00   0.00   
1 1 1 29 17 1  o 26.105  0.9699 22.314  34.200    3.67   22.00  5.09   -2.37  
1 1 1 29 17 2  f 17.585  0.4645 17.451  -4.5000   -1.51  -3.92  0.44   -0.50  
1 1 1 29 17 3  o 15.805  0.2062 21.035  137.900   0.74   3.48   1.34   -0.85  
1 1 1 29 17 4  o 42.512  0.2289 41.403  92.000    3.39   1.65   -7.01  1.81   
1 1 1 29 17 5  o 32.618  0.4965 28.449  -135.2000 -8.36  -3.72  -1.84  -1.48  
1 1 1 29 17 6  o 23.792  0.2892 21.836  166.600   -2.03  0.97   -0.38  0.27   
1 1 1 29 17 7  o 20.750  0.3180 14.308  -116.5000 -2.47  -3.86  1.03   -1.33  
1 1 1 29 17 8  o 20.682  0.4963 18.921  -27.4000  12.40  -2.25  -4.42  0.95   
1 1 1 29 17 9  o 9.5329  0.1635 10.838  60.100    -0.46  0.69   0.12   0.16   
1 1 1 29 17 10 o 19.111  0.2561 20.440  -128.1000 1.45   -3.32  0.51   0.99   
1 1 1 29 17 11 o 19.995  0.2424 21.623  -70.4000  -0.35  -2.38  0.53   -0.51  
1 1 1 29 17 12 o 10.540  0.2489 12.969  85.700    -0.72  1.00   0.01   0.20   
1 1 1 29 17 13 o 5.5487  0.3699 3.4117  -86.9000  1.53   1.98   0.04   -0.56  
1 1 1 29 17 14 o 1.9522  0.6123 2.7375  -75.3000  -0.22  0.13   -0.00  0.04   
1 1 1 29 17 15 o 14.797  0.2249 16.153  -9.6000   1.30   1.31   0.32   -0.36  
1 1 1 29 17 16 f 13.315  0.4607 11.443  139.800   0.78   1.37   0.06   -0.06  
1 1 1 29 17 17 o 6.3288  0.3134 6.6287  -57.9000  0.55   1.08   0.67   0.12   
1 1 1 29 17 18 o 8.1312  0.2637 8.0349  -95.6000  0.03   0.13   0.00   -0.00  
1 1 1 29 17 19 o 4.7684  0.5541 3.2754  58.700    0.70   0.40   0.01   -0.06  
1 1 1 29 17 20 o 9.3502  0.2526 11.371  -163.5000 -0.03  -0.71  -0.09  0.13   
1 1 1 29 17 21 o 6.6972  0.3814 6.9741  98.600    -0.07  -0.22  -0.01  0.01   
1 1 1 29 17 22 o 9.3342  0.3459 ?       ?         1.19   -0.47  0.14   0.00   
1 1 1 29 17 23 o 6.3956  0.5881 ?       ?         -0.63  0.25   -0.01  -0.01  
1 1 1 29 17 24 o 6.7362  0.6374 ?       ?         -0.04  0.42   -0.00  -0.00  
1 1 1 29 17 25 o 4.3886  0.8812 ?       ?         -0.50  -0.47  -0.00  0.02   
1 1 1 29 18 0  o 2.0976  0.4753 2.2912  179.400   0.01   0.00   0.00   0.00   
1 1 1 29 18 1  o 10.985  0.2230 12.213  -95.1000  6.60   1.25   -4.99  -2.63  
1 1 1 29 18 2  o 17.860  0.1557 12.277  -170.2000 -1.47  -0.96  -0.07  -1.41  
1 1 1 29 18 3  o 24.242  0.1472 25.719  -124.5000 -0.36  0.55   0.79   0.11   
1 1 1 29 18 4  o 12.846  0.2696 11.781  -39.9000  1.11   -0.06  -0.09  0.02   
1 1 1 29 18 5  o 8.5828  0.4628 14.040  110.700   -1.49  2.01   0.08   0.20   
1 1 1 29 18 6  f 17.841  0.1227 18.324  91.700    0.59   0.04   -0.49  1.07   
1 1 1 29 18 7  o 29.268  0.1564 21.439  -132.2000 -0.05  1.85   1.02   0.98   
1 1 1 29 18 8  o 23.716  0.1537 22.093  -135.3000 0.09   0.24   -0.15  0.18   
1 1 1 29 18 9  o 15.393  0.6232 15.476  -35.3000  16.21  -10.68 -1.83  5.59   
1 1 1 29 18 10 o 12.474  0.3793 7.6022  131.100   -6.70  -2.79  -1.88  -1.43  
1 1 1 29 18 11 o 4.6190  0.3331 1.1318  -83.5000  -0.51  0.01   -0.04  -0.01  
1 1 1 29 18 12 o 20.716  0.1922 21.680  -45.8000  -0.86  -0.10  -0.09  -0.10  
1 1 1 29 18 13 o 11.586  0.1767 12.842  -151.0000 -0.77  -0.29  0.88   1.71   
1 1 1 29 18 14 o 7.7793  0.2195 6.9389  159.200   -0.24  0.30   -0.34  -0.21  
1 1 1 29 18 15 o 6.7127  0.2629 7.4326  -7.0000   -0.25  -0.03  0.07   -0.11  
1 1 1 29 18 16 o 2.1387  0.6180 2.3373  -126.6000 -0.05  -0.12  -0.04  -0.04  
1 1 1 29 18 17 o 2.5641  0.5698 1.9118  -51.7000  0.58   -0.03  -0.11  -0.08  
1 1 1 29 18 18 o 6.2792  0.3118 7.3559  -31.2000  -0.16  0.12   -0.02  -0.02  
1 1 1 29 18 19 o 3.2795  0.7278 2.6772  88.500    -0.07  0.02   -0.00  -0.00  
1 1 1 29 18 20 o 6.5657  0.3416 6.0526  82.100    -0.17  0.26   0.02   -0.01  
1 1 1 29 18 21 o 8.6196  0.6837 8.2428  99.400    0.60   3.16   0.30   0.14   
1 1 1 29 18 22 o 9.1311  0.3577 ?       ?         -0.09  -0.52  -0.03  0.01   
1 1 1 29 18 23 o 9.5859  0.3895 ?       ?         -0.71  -0.72  0.02   0.05   
1 1 1 29 18 24 o 0.9201  1.2681 ?       ?         0.25   0.31   -0.01  0.02   
1 1 1 29 18 25 o 7.3785  0.7557 ?       ?         0.01   -0.84  -0.01  0.00   
1 1 1 29 19 0  o 2.4900  0.4090 7.8173  179.700   -0.03  0.00   0.00   0.00   
1 1 1 29 19 1  o 15.069  0.2126 8.1452  141.800   -0.08  -2.18  0.64   0.06   
1 1 1 29 19 2  o 18.694  0.5043 21.198  -72.2000  -5.26  -4.18  -0.35  -1.08  
1 1 1 29 19 3  o 43.470  0.3102 46.424  40.100    -1.24  -0.02  -0.15  0.10   
1 1 1 29 19 4  o 22.901  0.3155 23.177  -176.7000 -2.04  3.78   1.03   0.95   
1 1 1 29 19 5  o 34.136  0.2852 36.482  -138.5000 -0.08  -1.36  0.17   -0.13  
1 1 1 29 19 6  o 20.023  0.2531 19.955  41.200    -0.01  0.97   0.10   0.03   
1 1 1 29 19 7  o 13.383  0.2092 11.166  -157.5000 0.13   1.16   0.20   -0.00  
1 1 1 29 19 8  o 16.993  0.4609 14.156  -48.7000  0.16   -8.79  2.49   -0.24  
1 1 1 29 19 9  o 17.969  0.5053 17.003  24.400    7.24   0.84   -1.23  -0.47  
1 1 1 29 19 10 o 4.9315  0.5088 1.7657  179.100   -2.21  -4.14  0.59   -0.76  
1 1 1 29 19 11 o 9.0284  0.1979 7.7995  -50.6000  0.17   0.03   -0.01  -0.01  
1 1 1 29 19 12 o 20.498  0.1630 20.731  -168.9000 0.38   -0.00  0.14   -0.10  
1 1 1 29 19 13 o 2.5744  0.5092 3.3856  39.900    -0.09  -0.01  0.02   -0.05  
1 1 1 29 19 14 f 14.693  0.2094 15.551  -104.5000 -0.85  -2.02  0.03   -0.77  
1 1 1 29 19 15 o 28.620  0.1784 28.394  -124.4000 -0.94  -0.95  -0.26  0.34   
1 1 1 29 19 16 o 3.0600  0.5344 2.3279  -40.0000  -0.21  -0.36  0.02   -0.02  
1 1 1 29 19 17 o 3.8703  0.4464 3.9196  179.000   -0.07  0.13   -0.01  0.01   
1 1 1 29 19 18 o 7.7719  0.2682 8.0652  71.600    0.07   0.28   -0.02  -0.03  
1 1 1 29 19 19 o 3.8838  1.3273 1.3859  12.100    -0.45  0.86   0.01   0.04   
1 1 1 29 19 20 o 5.4988  0.5826 5.1331  87.500    -0.04  0.91   0.05   -0.05  
1 1 1 29 19 21 o 3.6553  0.5756 2.2214  -85.8000  -0.30  0.18   -0.02  -0.01  
1 1 1 29 19 22 o 7.5908  0.4530 ?       ?         -0.26  0.36   -0.01  -0.02  
1 1 1 29 19 23 o 3.9954  0.7434 ?       ?         -0.37  0.03   0.01   0.01   
1 1 1 29 19 24 f 14.128  0.5078 ?       ?         -1.10  -1.79  0.05   0.06   
1 1 1 29 19 25 o 6.5466  0.7322 ?       ?         0.21   -0.23  -0.00  -0.00  
1 1 1 29 20 0  o 18.407  0.1882 17.616  179.900   -0.04  0.00   0.00   0.00   
1 1 1 29 20 1  o 31.273  0.1812 27.331  109.900   0.95   3.10   1.13   -2.21  
1 1 1 29 20 2  o 31.096  0.3935 33.254  -101.8000 6.64   -2.35  -2.72  1.00   
1 1 1 29 20 3  f 5.8440  0.1783 7.8370  -21.8000  0.24   0.34   0.55   -0.45  
1 1 1 29 20 4  o 19.610  0.1352 17.553  128.100   -0.14  -0.13  0.09   0.21   
1 1 1 29 20 5  o 16.289  0.3728 17.532  124.200   -1.85  8.01   2.41   1.55   
1 1 1 29 20 6  o 15.796  0.1483 22.488  -132.9000 0.04   -0.37  0.25   -0.23  
1 1 1 29 20 7  o 5.7928  0.1907 8.4322  -27.8000  -1.02  -0.29  -0.49  -0.18  
1 1 1 29 20 8  f 15.472  0.2770 13.007  99.700    -6.84  -0.39  -3.75  -1.32  
1 1 1 29 20 9  o 7.4933  0.1762 6.2959  37.000    0.99   0.26   -0.31  -0.32  
1 1 1 29 20 10 o 16.224  0.3783 17.343  20.200    4.74   1.23   -1.18  -0.31  
1 1 1 29 20 11 o 25.371  0.1526 28.189  101.000   -0.36  -0.04  0.11   0.10   
1 1 1 29 20 12 o 12.499  0.1560 10.824  -76.6000  -0.66  -0.67  -0.79  -0.42  
1 1 1 29 20 13 o 17.703  0.1619 16.935  90.500    0.11   -0.93  -0.55  0.26   
1 1 1 29 20 14 o 13.566  0.1909 13.654  175.000   -0.68  -1.82  0.98   0.24   
1 1 1 29 20 15 o 8.4943  0.2214 5.8215  21.900    -0.10  0.42   -0.45  -0.16  
1 1 1 29 20 16 o 9.5485  0.2378 8.2218  -141.6000 -1.29  -1.21  -0.49  -0.34  
1 1 1 29 20 17 o 4.8268  0.3769 5.3517  27.000    0.18   0.17   -0.05  0.01   
1 1 1 29 20 18 f 11.744  0.5461 10.614  95.200    -1.15  3.80   0.22   0.36   
1 1 1 29 20 19 o 4.3945  0.4418 3.2241  28.100    0.16   -0.02  0.02   0.01   
1 1 1 29 20 20 o 4.8291  0.5072 3.2842  127.600   -0.37  -0.03  0.02   -0.02  
1 1 1 29 20 21 o 3.7167  0.8368 3.2768  -122.2000 0.42   -0.11  -0.02  -0.01  
1 1 1 29 20 22 o 7.8445  0.4693 ?       ?         0.12   0.33   -0.01  0.00   
1 1 1 29 20 23 o 5.2295  0.6658 ?       ?         -0.05  0.54   -0.01  0.01   
1 1 1 29 20 24 o 7.7353  0.5879 ?       ?         0.19   0.89   -0.02  0.01   
1 1 1 29 20 25 o 4.7552  0.9934 ?       ?         0.47   -0.00  0.00   -0.00  
1 1 1 29 21 0  o 38.462  0.3976 37.466  180.000   -0.41  0.00   0.00   0.00   
1 1 1 29 21 1  o 4.9393  0.7929 2.4879  78.200    -3.76  3.29   -0.18  0.95   
1 1 1 29 21 2  o 18.660  0.3565 17.798  -170.1000 -1.17  -6.84  2.81   -0.45  
1 1 1 29 21 3  o 48.512  0.2457 46.568  45.300    1.91   3.53   2.65   0.19   
1 1 1 29 21 4  o 19.884  0.1786 13.040  -115.7000 2.23   -0.46  -1.04  0.07   
1 1 1 29 21 5  f 21.227  0.1747 21.174  -49.6000  1.22   0.66   -0.09  -0.37  
1 1 1 29 21 6  f 9.9511  0.4084 8.3634  -110.4000 -3.25  -7.65  1.83   -2.30  
1 1 1 29 21 7  o 35.925  0.5314 36.725  -138.6000 -8.40  -0.49  -1.84  0.38   
1 1 1 29 21 8  o 31.179  0.1673 34.092  -26.4000  0.71   -0.49  0.77   -0.05  
1 1 1 29 21 9  o 26.356  0.1651 24.471  -173.1000 0.19   0.32   -0.07  -0.07  
1 1 1 29 21 10 o 16.280  0.1395 17.270  -18.9000  -0.16  0.30   -0.01  0.05   
1 1 1 29 21 11 o 3.9837  0.3254 4.4041  70.100    -0.23  0.05   -0.03  0.09   
1 1 1 29 21 12 o 11.083  0.1688 13.382  156.400   -0.69  0.02   -0.16  0.32   
1 1 1 29 21 13 o 5.3320  0.3372 6.5233  145.600   -1.12  -0.04  -0.18  0.06   
1 1 1 29 21 14 o 10.003  0.2001 7.5950  84.100    -0.63  -0.72  0.32   -0.16  
1 1 1 29 21 15 o 22.568  0.1608 24.270  140.500   -1.70  0.09   0.01   -0.84  
1 1 1 29 21 16 o 9.5333  0.2216 7.9491  137.400   -0.21  0.49   -0.25  -0.05  
1 1 1 29 21 17 o 3.4763  0.5018 3.5713  -28.8000  0.53   -0.20  -0.07  -0.00  
1 1 1 29 21 18 o 8.9199  0.2510 8.7279  -140.1000 0.04   0.32   0.00   0.03   
1 1 1 29 21 19 o 3.0200  0.5564 3.2364  -147.7000 0.21   0.16   -0.02  0.05   
1 1 1 29 21 20 o 3.7001  1.6759 2.9325  136.000   0.33   -0.17  -0.00  0.01   
1 1 1 29 21 21 o 4.3072  0.5299 4.7872  164.800   -0.74  0.20   -0.04  -0.07  
1 1 1 29 21 22 o 11.224  0.4012 ?       ?         0.23   -0.28  0.00   -0.00  
1 1 1 29 21 23 o 6.7587  0.5665 ?       ?         1.38   0.39   0.05   -0.02  
1 1 1 29 21 24 o 14.733  0.4432 ?       ?         0.84   -3.33  -0.07  -0.03  
1 1 1 29 22 0  o 15.915  0.3142 24.333  -0.1000   -0.01  0.00   0.00   0.00   
1 1 1 29 22 1  o 23.264  0.3871 23.748  80.400    3.03   3.12   -0.37  -1.30  
1 1 1 29 22 2  o 8.5022  0.1432 7.5207  -38.3000  0.26   -0.68  0.59   0.20   
1 1 1 29 22 3  o 27.895  0.2926 26.385  157.400   4.70   0.74   -2.07  0.09   
1 1 1 29 22 4  o 11.105  0.2410 5.7478  -95.8000  -0.66  -0.35  -0.03  -0.05  
1 1 1 29 22 5  o 27.198  0.1540 21.638  -174.7000 -1.40  -0.89  -0.65  -0.33  
1 1 1 29 22 6  o 20.718  0.1296 18.815  32.300    0.22   0.46   -0.29  -0.37  
1 1 1 29 22 7  o 15.281  0.4230 11.127  -37.4000  3.19   -7.71  1.38   1.82   
1 1 1 29 22 8  o 6.0864  0.3526 7.5285  -81.5000  3.74   -0.20  -0.98  0.00   
1 1 1 29 22 9  o 11.603  0.2958 11.667  112.500   0.77   1.53   0.19   -0.16  
1 1 1 29 22 10 o 10.823  0.2986 11.078  159.300   -2.94  -0.91  -0.50  -0.54  
1 1 1 29 22 11 f 7.9311  0.1871 7.5205  -114.3000 -2.75  -0.48  -1.60  -0.01  
1 1 1 29 22 12 o 4.2790  0.4386 4.2388  -25.4000  0.50   -0.54  -0.01  0.05   
1 1 1 29 22 13 o 13.330  0.3811 15.736  -138.1000 -2.30  -3.50  0.00   -0.95  
1 1 1 29 22 14 o 19.655  0.6832 19.076  -41.5000  10.61  -0.31  -1.72  -0.49  
1 1 1 29 22 15 o 10.973  0.2062 10.594  3.1000    -0.23  0.49   -0.04  0.09   
1 1 1 29 22 16 o 10.433  0.2181 9.7103  -9.5000   -0.18  0.33   -0.07  -0.08  
1 1 1 29 22 17 o 7.7302  0.2700 8.4017  140.900   0.19   0.97   0.03   -0.19  
1 1 1 29 22 18 o 4.1855  0.4477 3.9977  170.800   -0.03  0.08   -0.00  0.00   
1 1 1 29 22 19 o 5.1886  0.8083 3.8412  -136.8000 -0.07  0.29   0.00   0.00   
1 1 1 29 22 20 f 12.450  0.2403 12.654  -165.2000 1.81   -0.53  0.27   0.21   
1 1 1 29 22 21 o 6.8169  0.4153 ?       ?         0.72   0.62   0.01   0.10   
1 1 1 29 22 22 o 5.2835  1.0597 ?       ?         0.62   -0.40  -0.02  -0.00  
1 1 1 29 22 23 o 4.1533  0.8075 ?       ?         0.48   0.30   -0.00  0.02   
1 1 1 29 22 24 o 6.0690  0.6565 ?       ?         -0.06  -1.15  -0.01  -0.02  
1 1 1 29 23 0  o 7.0427  0.5024 1.0002  -179.2000 0.15   0.00   0.00   0.00   
1 1 1 29 23 1  o 22.140  0.1974 14.124  78.100    0.08   0.13   0.03   0.00   
1 1 1 29 23 2  o 21.468  0.1961 25.219  74.100    0.74   0.56   -0.62  -0.28  
1 1 1 29 23 3  o 14.127  0.1502 14.271  143.300   1.27   0.49   -0.39  -0.96  
1 1 1 29 23 4  o 16.695  0.1734 13.657  -45.8000  -2.10  -0.47  -0.93  -0.10  
1 1 1 29 23 5  o 14.616  0.1078 9.3618  103.900   0.15   0.17   -0.28  -0.02  
1 1 1 29 23 6  o 4.1736  0.2075 5.1068  -165.2000 0.21   0.38   0.20   -0.16  
1 1 1 29 23 7  o 12.212  0.2673 11.218  -27.9000  4.92   2.40   -0.99  -1.82  
1 1 1 29 23 8  o 22.844  0.1474 22.440  137.500   -1.64  -0.17  0.14   -1.84  
1 1 1 29 23 9  o 10.090  0.1574 7.4492  153.000   -0.15  0.15   -0.00  0.01   
1 1 1 29 23 10 o 16.101  0.2588 15.141  154.100   -0.74  0.40   -0.01  0.06   
1 1 1 29 23 11 o 9.2604  0.1826 9.2792  69.600    -0.56  0.76   -1.10  0.66   
1 1 1 29 23 12 o 5.3294  0.4918 5.0335  34.500    -0.15  2.98   0.56   -0.08  
1 1 1 29 23 13 o 6.8579  0.2325 6.4635  -127.8000 0.10   0.00   0.01   -0.02  
1 1 1 29 23 14 o 3.1839  0.8614 4.7282  81.400    0.93   -0.16  -0.06  0.04   
1 1 1 29 23 15 f 6.9233  0.2591 6.7288  -41.8000  -0.06  -1.39  0.40   0.27   
1 1 1 29 23 16 f 16.250  0.1697 15.662  -81.7000  1.37   -0.90  -0.38  -0.75  
1 1 1 29 23 17 o 6.7336  0.2989 7.6218  -175.2000 -1.03  0.76   0.41   0.27   
1 1 1 29 23 18 o 3.2564  0.5314 2.8567  62.600    0.32   0.11   -0.03  0.01   
1 1 1 29 23 19 o 11.324  0.5394 12.535  167.200   -2.18  0.77   0.02   0.22   
1 1 1 29 23 20 o 12.082  0.3187 12.187  -47.1000  -0.67  -1.33  -0.11  -0.09  
1 1 1 29 23 21 o 5.7264  0.5489 ?       ?         -0.24  0.07   0.00   -0.00  
1 1 1 29 23 22 o 3.4913  0.9182 ?       ?         -0.49  0.01   0.02   0.01   
1 1 1 29 23 23 o 9.2762  0.4687 ?       ?         2.12   0.26   0.12   -0.04  
1 1 1 29 23 24 o 4.0961  0.8674 ?       ?         0.84   0.06   0.02   0.00   
1 1 1 29 24 0  o 30.507  0.3211 25.442  0.1000    0.03   0.00   0.00   0.00   
1 1 1 29 24 1  o 18.543  0.2393 16.608  93.600    1.45   -0.68  0.12   1.15   
1 1 1 29 24 2  f 12.469  0.2206 8.6418  -76.6000  0.20   -0.20  0.14   0.07   
1 1 1 29 24 3  o 12.801  0.3784 18.413  -105.1000 3.44   -0.73  -0.70  0.18   
1 1 1 29 24 4  o 10.482  0.3039 11.440  25.300    -1.86  -0.37  -0.24  -0.07  
1 1 1 29 24 5  o 15.888  0.5768 15.865  -22.8000  9.25   -6.73  -0.89  2.01   
1 1 1 29 24 6  o 40.647  0.2001 39.672  -46.7000  -0.50  0.62   -0.17  -0.29  
1 1 1 29 24 7  o 9.8535  0.1689 8.9543  -102.1000 -0.94  0.30   -0.16  0.07   
1 1 1 29 24 8  o 27.880  0.2712 24.418  -75.7000  6.07   -2.20  -3.77  0.28   
1 1 1 29 24 9  o 7.6641  0.2887 4.7416  14.800    -0.48  -0.63  0.03   -0.05  
1 1 1 29 24 10 o 6.3888  0.2125 8.3749  114.500   0.71   0.56   -0.67  -0.47  
1 1 1 29 24 11 o 5.8238  0.2599 4.2381  -13.7000  -0.63  0.13   -0.09  0.11   
1 1 1 29 24 12 o 9.3808  0.1930 13.859  53.100    0.07   0.53   -0.61  0.16   
1 1 1 29 24 13 o 9.2611  0.2008 8.9239  7.3000    0.20   1.43   0.53   0.31   
1 1 1 29 24 14 o 17.031  0.1560 17.018  -110.7000 -0.96  -1.37  -1.72  0.27   
1 1 1 29 24 15 o 9.3442  0.2134 7.9575  55.800    0.38   0.86   -0.28  -0.29  
1 1 1 29 24 16 o 5.2072  0.3626 4.7487  80.300    -0.89  0.97   -0.36  0.26   
1 1 1 29 24 17 o 3.8913  0.4728 3.1729  129.900   0.22   -0.09  -0.01  -0.00  
1 1 1 29 24 18 o 7.0511  0.2980 6.9713  -107.1000 0.02   -0.35  -0.01  0.03   
1 1 1 29 24 19 o 6.0877  0.4184 6.8777  28.400    0.88   0.62   0.12   -0.06  
1 1 1 29 24 20 o 5.4201  0.4857 5.8187  -169.5000 -0.47  -0.12  0.03   0.03   
1 1 1 29 24 21 o 6.6962  0.5103 ?       ?         -0.62  -1.06  -0.06  0.10   
1 1 1 29 24 22 o 4.2772  0.7902 ?       ?         -0.36  0.42   0.02   -0.01  
1 1 1 29 24 23 o 4.2772  0.8905 ?       ?         0.21   -0.02  0.00   -0.00  
1 1 1 29 24 24 o 9.4611  0.5289 ?       ?         -0.44  -2.06  -0.05  0.02   
1 1 1 29 25 0  f 5.4681  0.5910 3.8461  0.0000    0.10   0.00   0.00   0.00   
1 1 1 29 25 1  o 23.597  0.4023 22.143  26.000    5.11   -0.43  -1.70  -0.37  
1 1 1 29 25 2  o 12.764  0.2243 11.914  -99.1000  -0.09  -0.49  0.26   0.14   
1 1 1 29 25 3  o 3.5454  0.4609 0.5514  62.000    -0.04  0.16   0.01   0.11   
1 1 1 29 25 4  o 9.1721  0.1876 11.262  59.900    0.81   0.46   -2.08  -0.20  
1 1 1 29 25 5  f 5.3178  0.1725 3.2005  149.600   0.21   -0.95  0.28   0.07   
1 1 1 29 25 6  o 28.728  0.5014 26.449  -90.6000  0.81   -2.40  0.18   0.06   
1 1 1 29 25 7  o 22.572  0.2325 20.468  129.400   0.24   2.66   0.61   -0.55  
1 1 1 29 25 8  o 27.370  0.6849 26.542  154.200   -6.11  9.71   1.32   1.50   
1 1 1 29 25 9  o 14.161  0.1613 15.787  3.5000    -0.14  0.31   0.10   -0.11  
1 1 1 29 25 10 o 11.422  0.1553 10.023  16.700    0.34   0.13   -0.11  0.08   
1 1 1 29 25 11 o 4.5292  0.3026 1.4354  45.400    0.30   0.02   -0.05  0.04   
1 1 1 29 25 12 o 10.005  0.1857 10.880  -179.8000 0.20   1.14   0.16   -0.23  
1 1 1 29 25 13 o 16.508  0.1891 15.886  98.000    0.40   1.14   -0.14  -0.31  
1 1 1 29 25 14 o 11.513  0.1969 10.477  116.900   0.24   -0.40  -0.12  -0.21  
1 1 1 29 25 15 o 6.6967  0.2834 8.1448  3.6000    0.63   -0.61  0.52   -0.50  
1 1 1 29 25 16 o 18.019  0.1849 19.436  -103.3000 0.69   0.21   0.08   -0.03  
1 1 1 29 25 17 o 9.1966  0.2384 8.7626  26.100    0.96   0.43   0.07   0.43   
1 1 1 29 25 18 o 5.6956  0.3728 4.2447  170.800   -0.21  0.31   -0.04  -0.04  
1 1 1 29 25 19 o 5.4217  0.4428 5.8320  -130.8000 -0.39  -0.67  -0.08  0.14   
1 1 1 29 25 20 o 10.336  0.2861 11.156  9.4000    0.90   0.33   0.04   0.11   
1 1 1 29 25 21 o 5.0222  0.6801 ?       ?         0.27   -0.20  0.00   -0.01  
1 1 1 29 25 22 o 11.030  0.5623 ?       ?         -2.84  0.97   0.15   0.02   
1 1 1 29 25 23 o 3.4370  0.9042 ?       ?         -0.03  -0.37  -0.01  0.00   
1 1 1 29 25 24 o 1.8568  1.0699 ?       ?         0.25   0.22   0.00   0.01   
1 1 1 29 26 0  o 7.5631  0.4250 5.9886  -0.3000   -0.11  0.00   0.00   0.00   
1 1 1 29 26 1  f 12.021  0.2306 7.3636  -97.7000  3.80   -1.71  -2.82  1.48   
1 1 1 29 26 2  o 24.516  0.8513 23.617  -139.7000 -8.57  -2.64  -0.78  -0.81  
1 1 1 29 26 3  o 7.8657  0.2925 8.5432  158.100   -0.38  -0.04  0.92   0.76   
1 1 1 29 26 4  o 5.9581  1.1187 2.4506  61.800    4.70   -2.18  -0.46  0.45   
1 1 1 29 26 5  o 20.646  0.1304 24.088  -5.1000   1.61   -0.12  -0.59  0.62   
1 1 1 29 26 6  o 10.441  0.1135 11.357  61.100    0.02   -0.13  -0.11  -0.08  
1 1 1 29 26 7  o 12.232  0.2751 10.444  50.800    5.24   1.18   -2.38  -0.45  
1 1 1 29 26 8  o 14.422  0.2767 13.900  15.300    -0.08  4.82   1.64   0.56   
1 1 1 29 26 9  o 4.4482  0.3729 3.2586  22.100    -1.38  -0.67  -0.10  -0.20  
1 1 1 29 26 10 o 14.438  0.2982 13.965  -93.1000  -2.39  -3.23  -0.12  -1.12  
1 1 1 29 26 11 o 11.087  0.1702 8.0037  84.500    0.92   0.28   -0.04  -0.22  
1 1 1 29 26 12 o 19.762  0.1690 16.889  -4.5000   0.72   0.27   0.20   -0.06  
1 1 1 29 26 13 o 10.138  0.2039 9.8157  104.100   -0.03  -0.05  -0.00  -0.00  
1 1 1 29 26 14 o 10.717  0.2448 8.8098  166.800   -0.71  0.21   -0.07  -0.03  
1 1 1 29 26 15 f 13.833  0.1725 12.814  2.7000    1.07   1.02   0.65   0.18   
1 1 1 29 26 16 o 5.7153  0.3536 6.2119  45.600    -0.30  -0.07  -0.02  0.03   
1 1 1 29 26 17 o 11.660  0.2147 11.280  -21.8000  1.56   -0.42  0.26   0.32   
1 1 1 29 26 18 o 5.4321  0.4180 5.5955  68.800    0.18   0.34   -0.03  -0.01  
1 1 1 29 26 19 o 4.2642  0.5443 3.7628  -96.2000  0.01   -0.20  -0.01  0.00   
1 1 1 29 26 20 o 10.365  0.3452 ?       ?         -1.64  -0.54  0.16   0.06   
1 1 1 29 26 21 f 6.3000  0.5574 ?       ?         0.85   0.11   0.03   0.00   
1 1 1 29 26 22 o 3.8791  0.8449 ?       ?         -0.20  -0.23  0.00   0.00   
1 1 1 29 26 23 o 2.0360  1.0664 ?       ?         -0.06  -0.31  -0.00  0.00   
1 1 1 29 27 0  o 22.935  0.3118 24.767  -180.0000 -0.20  0.00   0.00   0.00   
1 1 1 29 27 1  o 21.261  0.3070 16.308  -156.0000 -1.98  0.06   -0.32  0.19   
1 1 1 29 27 2  f 13.276  0.4264 12.442  172.900   -3.87  -4.30  -0.12  -1.40  
1 1 1 29 27 3  o 14.146  0.2819 11.782  150.300   0.29   1.52   0.19   -0.17  
1 1 1 29 27 4  o 13.441  0.1428 10.107  118.200   -0.33  0.33   -0.45  -0.96  
1 1 1 29 27 5  o 12.466  0.2860 15.144  164.200   0.07   4.07   1.07   -0.28  
1 1 1 29 27 6  o 6.3497  0.4059 7.5735  103.700   2.86   6.52   1.22   -1.61  
1 1 1 29 27 7  o 3.0712  0.2783 3.4021  99.000    -0.35  -0.12  -0.10  -0.36  
1 1 1 29 27 8  o 5.2338  0.2214 1.0629  -147.5000 -0.09  -0.30  -0.04  -0.28  
1 1 1 29 27 9  o 17.466  0.1461 16.493  81.700    -0.21  0.53   0.10   -0.05  
1 1 1 29 27 10 o 12.763  0.1636 11.997  151.400   0.08   0.18   -0.04  0.03   
1 1 1 29 27 11 o 0.6705  0.6969 0.9589  -119.8000 0.00   -0.03  -0.01  -0.01  
1 1 1 29 27 12 o 14.262  0.1674 12.965  -50.8000  0.65   -0.02  0.34   0.11   
1 1 1 29 27 13 o 11.625  0.1746 12.285  -86.8000  1.01   0.40   0.01   -0.24  
1 1 1 29 27 14 o 15.811  0.1731 15.586  -95.5000  0.66   -0.74  -0.18  -0.30  
1 1 1 29 27 15 o 5.7075  0.5661 4.4558  20.400    1.84   1.48   0.09   -0.31  
1 1 1 29 27 16 o 6.0250  0.4746 6.2764  -134.0000 -0.91  0.58   0.04   0.09   
1 1 1 29 27 17 o 8.4900  0.2677 8.0741  -31.1000  0.27   1.94   0.28   0.37   
1 1 1 29 27 18 o 5.0684  0.9677 4.0324  13.600    1.79   -0.46  -0.13  -0.01  
1 1 1 29 27 19 o 8.2523  0.4771 8.7604  26.200    0.57   2.55   0.25   0.25   
1 1 1 29 27 20 o 5.8032  1.0244 ?       ?         0.38   -0.07  -0.00  -0.00  
1 1 1 29 27 21 o 5.5452  0.6435 ?       ?         0.19   -0.56  -0.01  0.01   
1 1 1 29 27 22 o 4.2707  1.1320 ?       ?         -0.35  0.20   -0.01  -0.01  
1 1 1 29 27 23 o 6.4833  0.6046 ?       ?         -0.22  -0.38  0.00   0.00   
1 1 1 29 28 0  o 10.198  0.3322 3.1373  -179.6000 0.18   0.00   0.00   0.00   
1 1 1 29 28 1  o 16.023  0.2085 14.561  -9.9000   0.75   -0.52  -0.54  0.12   
1 1 1 29 28 2  f 30.549  0.2489 28.168  40.600    0.49   -1.06  -0.69  0.01   
1 1 1 29 28 3  o 8.6630  0.2426 7.0297  2.4000    -0.06  -0.09  -0.00  0.05   
1 1 1 29 28 4  o 7.9041  0.2947 9.5678  -49.9000  -0.86  -0.16  -0.16  -0.24  
1 1 1 29 28 5  f 9.6140  0.2443 11.319  -168.1000 -0.18  0.43   0.01   0.02   
1 1 1 29 28 6  o 12.303  0.2294 12.088  -65.7000  2.60   -2.15  -0.46  0.93   
1 1 1 29 28 7  o 6.3799  0.1717 6.5014  -133.4000 -0.36  0.01   -0.05  0.50   
1 1 1 29 28 8  f 17.737  0.1879 15.541  45.400    4.11   2.56   -3.05  -1.30  
1 1 1 29 28 9  o 16.157  0.1546 14.567  -87.0000  -0.13  0.06   0.01   -0.01  
1 1 1 29 28 10 f 21.441  0.2620 18.068  74.800    -2.67  2.26   -0.82  0.52   
1 1 1 29 28 11 o 5.7284  0.2686 5.9271  68.100    0.80   0.16   -0.29  0.15   
1 1 1 29 28 12 o 12.361  0.3120 11.578  4.7000    3.57   1.83   -0.17  -1.04  
1 1 1 29 28 13 o 13.838  0.2293 13.617  168.000   -0.31  1.50   0.25   -0.10  
1 1 1 29 28 14 o 9.9295  0.2100 9.1580  -54.0000  -0.33  -0.80  -0.26  0.42   
1 1 1 29 28 15 o 14.663  0.1840 14.405  -166.8000 -0.68  -0.47  0.07   0.19   
1 1 1 29 28 16 o 7.8911  0.2503 7.6675  7.6000    0.62   -1.61  -0.30  0.49   
1 1 1 29 28 17 o 8.7246  0.3021 9.5399  25.100    1.50   -0.13  -0.04  0.22   
1 1 1 29 28 18 o 7.6070  0.4821 7.7155  0.0000    0.40   -0.98  -0.03  0.06   
1 1 1 29 28 19 o 8.9386  0.3056 7.4042  169.000   -0.75  -0.81  -0.09  0.12   
1 1 1 29 28 20 o 6.0940  0.5012 ?       ?         0.27   -0.38  0.00   -0.02  
1 1 1 29 28 21 o 5.5885  0.5922 ?       ?         -0.17  -0.78  -0.02  -0.00  
1 1 1 29 28 22 o 3.7838  0.8106 ?       ?         0.24   -0.11  0.00   -0.00  
1 1 1 29 28 23 o 2.8410  1.0815 ?       ?         -0.16  -0.10  -0.00  0.00   
1 1 1 29 29 0  o 5.5045  0.7387 6.7783  -0.0000   -0.07  0.00   0.00   0.00   
1 1 1 29 29 1  o 4.3359  0.7141 7.2523  -89.9000  0.00   0.09   0.00   0.00   
1 1 1 29 29 2  o 0.9487  1.1240 0.7403  179.400   -0.02  0.00   0.00   0.00   
1 1 1 29 29 3  o 10.065  0.3734 7.6503  -89.9000  0.00   0.12   0.00   0.00   
1 1 1 29 29 4  o 3.0822  0.8209 5.4352  0.1000    -0.06  0.00   0.00   0.00   
1 1 1 29 29 5  o 15.450  0.1760 13.310  -90.0000  -0.00  -0.42  0.00   0.00   
1 1 1 29 29 6  o 18.019  0.1922 19.354  180.000   0.38   0.00   0.00   0.00   
1 1 1 29 29 7  o 16.769  0.2003 17.889  -90.0000  -0.00  -0.46  0.00   0.00   
1 1 1 29 29 8  o 6.3482  0.2933 9.4213  0.0000    0.28   0.00   0.00   0.00   
1 1 1 29 29 9  o 3.3317  0.4693 4.3260  90.000    0.00   0.08   0.00   0.00   
1 1 1 29 29 10 o 1.5166  0.8143 0.7500  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 29 29 11 o 3.0659  0.5691 2.2824  90.000    -0.00  -0.06  0.00   0.00   
1 1 1 29 29 12 o 11.212  0.2529 10.797  0.0000    0.21   0.00   0.00   0.00   
1 1 1 29 29 13 o 4.7539  0.4671 7.2464  90.000    0.00   0.04   0.00   0.00   
1 1 1 29 29 14 o 2.9833  0.6698 2.4469  180.000   -0.18  0.00   0.00   0.00   
1 1 1 29 29 15 o 0.0000  2.3452 1.4369  90.000    0.00   0.04   0.00   0.00   
1 1 1 29 29 16 o 10.144  0.3292 12.555  -180.0000 -0.34  0.00   0.00   0.00   
1 1 1 29 29 17 o 6.3953  0.5190 4.7184  90.000    -0.00  -0.13  0.00   0.00   
1 1 1 29 29 18 o 10.373  0.4034 12.439  -0.0000   0.88   0.00   0.00   0.00   
1 1 1 29 29 19 o 9.0277  0.4730 ?       ?         -0.00  -0.31  0.00   0.00   
1 1 1 29 29 20 o 14.014  0.4692 ?       ?         -1.95  0.00   0.00   0.00   
1 1 1 29 29 21 o 1.5492  1.4411 ?       ?         0.00   0.01   0.00   0.00   
1 1 1 29 29 22 o 3.3015  1.2631 ?       ?         0.55   0.00   0.00   0.00   
1 1 1 29 29 23 o 2.2136  1.4110 ?       ?         -0.00  -0.35  0.00   0.00   
1 1 1 30 0  0  f 4.0497  0.3923 3.4400  0.1000    0.02   0.00   0.00   0.00   
1 1 1 30 0  1  o 5.9161  0.2433 3.1972  -45.2000  -0.03  0.03   0.00   0.00   
1 1 1 30 0  2  f 26.931  0.2556 29.974  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 30 0  3  f 48.240  0.2997 33.971  -134.9000 0.01   0.01   0.00   0.00   
1 1 1 30 0  4  o 16.220  0.1919 9.7853  179.900   0.05   0.00   0.00   0.00   
1 1 1 30 0  5  o 27.995  0.2004 17.381  -45.1000  0.26   -0.26  0.00   0.00   
1 1 1 30 0  6  o 2.2136  0.5185 3.1990  89.400    -0.00  -0.01  0.00   0.00   
1 1 1 30 0  7  o 12.272  0.2632 4.4060  -134.5000 -0.05  -0.05  0.00   0.00   
1 1 1 30 0  8  o 11.296  0.2256 3.3767  179.300   -0.17  0.00   0.00   0.00   
1 1 1 30 0  9  o 9.1761  0.2285 0.0876  154.100   0.06   -0.06  0.00   0.00   
1 1 1 30 0  10 o 24.789  0.1941 25.047  89.900    0.00   0.17   0.00   0.00   
1 1 1 30 0  11 o 25.076  0.2488 18.780  44.900    0.27   0.27   0.00   0.00   
1 1 1 30 0  12 o 3.3466  0.5016 1.5520  178.600   -0.00  0.00   0.00   0.00   
1 1 1 30 0  13 o 11.743  0.2460 9.1168  -45.1000  -0.18  0.18   0.00   0.00   
1 1 1 30 0  14 o 4.8785  0.4402 13.162  90.000    0.00   0.10   0.00   0.00   
1 1 1 30 0  15 o 14.433  0.2318 11.718  -135.0000 -0.09  -0.09  0.00   0.00   
1 1 1 30 0  16 o 12.992  0.2824 11.921  180.000   -0.06  0.00   0.00   0.00   
1 1 1 30 0  17 o 1.4832  0.9618 0.4603  135.000   -0.02  0.02   0.00   0.00   
1 1 1 30 0  18 o 8.4202  0.3857 5.8448  -90.0000  -0.00  -0.16  0.00   0.00   
1 1 1 30 0  19 o 3.8210  0.6417 2.9082  -135.0000 -0.13  -0.13  0.00   0.00   
1 1 1 30 0  20 o 3.8859  0.6528 2.2450  -180.0000 0.17   0.00   0.00   0.00   
1 1 1 30 0  21 o 16.441  0.2840 17.481  -45.0000  0.79   -0.79  0.00   0.00   
1 1 1 30 0  22 o 3.6469  0.7852 6.0489  90.000    0.00   0.18   0.00   0.00   
1 1 1 30 0  23 o 7.7395  0.5477 ?       ?         0.08   0.08   0.00   0.00   
1 1 1 30 0  24 o 9.1978  0.6200 ?       ?         0.03   0.00   0.00   0.00   
1 1 1 30 1  0  o 12.724  0.1514 0.6692  1.2000    -0.10  0.00   0.00   0.00   
1 1 1 30 1  1  o 7.6095  0.5360 6.7813  -63.0000  11.68  -0.21  -3.02  0.19   
1 1 1 30 1  2  o 22.271  0.4905 23.750  -22.4000  5.13   -0.85  -0.98  0.49   
1 1 1 30 1  3  o 17.243  0.2177 19.809  140.700   -0.90  2.77   1.49   0.65   
1 1 1 30 1  4  o 18.244  0.1392 13.509  -24.8000  0.42   -0.23  -0.02  0.13   
1 1 1 30 1  5  o 40.468  0.1872 33.254  -101.4000 -1.11  -0.90  -2.47  0.23   
1 1 1 30 1  6  o 32.121  0.1744 34.939  -50.1000  1.29   -0.00  -0.83  -0.86  
1 1 1 30 1  7  o 46.341  0.2641 45.840  -18.1000  1.46   0.24   -0.18  -0.31  
1 1 1 30 1  8  o 30.976  0.7530 25.384  -34.3000  22.96  0.95   -7.27  -1.38  
1 1 1 30 1  9  o 5.3188  0.2361 3.0017  145.300   0.49   -0.39  -0.07  0.17   
1 1 1 30 1  10 o 9.0155  0.1910 6.8800  76.200    0.05   0.03   0.01   -0.02  
1 1 1 30 1  11 o 15.329  0.1504 13.405  175.600   1.00   -1.41  1.83   1.46   
1 1 1 30 1  12 f 20.851  0.4522 25.565  170.600   -8.35  0.45   -2.37  -0.14  
1 1 1 30 1  13 o 13.838  0.3109 11.001  -118.9000 -3.66  -1.08  -0.84  -0.89  
1 1 1 30 1  14 o 19.014  0.2637 24.241  -135.0000 -1.19  -3.04  1.06   -0.39  
1 1 1 30 1  15 o 12.283  0.1699 14.542  101.500   0.07   0.32   0.07   0.04   
1 1 1 30 1  16 o 4.7217  0.3461 5.1876  128.900   -0.91  0.23   -0.29  0.00   
1 1 1 30 1  17 o 14.451  0.1838 14.785  -137.4000 -1.41  -0.76  -0.59  -0.06  
1 1 1 30 1  18 o 23.152  0.1687 24.482  98.400    0.33   1.67   -1.11  0.82   
1 1 1 30 1  19 o 6.6858  0.4651 5.3929  75.400    -0.32  0.63   0.03   0.02   
1 1 1 30 1  20 o 3.9301  0.4814 3.8291  -130.2000 0.30   -0.30  -0.03  0.03   
1 1 1 30 1  21 o 11.202  0.2304 11.051  -42.9000  1.04   0.19   -0.05  0.21   
1 1 1 30 1  22 o 6.6157  0.4000 5.9419  -158.3000 -0.46  -0.55  -0.05  -0.03  
1 1 1 30 1  23 o 3.6978  0.6159 ?       ?         -0.12  0.02   0.00   0.00   
1 1 1 30 1  24 o 7.8404  0.4201 ?       ?         -0.64  0.11   0.02   0.02   
1 1 1 30 1  25 o 5.9666  1.3831 ?       ?         -0.04  0.16   0.00   0.00   
1 1 1 30 2  0  o 19.524  0.1802 27.957  0.0000    0.07   0.00   0.00   0.00   
1 1 1 30 2  1  o 8.8097  0.1340 3.0823  116.200   0.79   -0.03  -1.08  -0.21  
1 1 1 30 2  2  o 31.326  0.5965 24.264  58.300    1.59   8.32   1.99   -0.44  
1 1 1 30 2  3  o 52.133  0.9069 53.562  91.800    2.02   7.32   0.67   -0.65  
1 1 1 30 2  4  o 7.7554  0.6929 18.501  55.300    8.94   2.00   -1.53  -0.66  
1 1 1 30 2  5  o 22.225  0.2194 19.564  -113.4000 0.97   -3.38  1.34   1.34   
1 1 1 30 2  6  o 35.307  0.4496 33.685  -131.8000 -5.20  -4.38  0.12   -2.16  
1 1 1 30 2  7  o 12.320  0.3858 6.6665  32.200    2.57   -3.84  0.60   1.13   
1 1 1 30 2  8  o 18.116  0.1459 17.644  -23.9000  0.06   -0.03  -0.01  -0.06  
1 1 1 30 2  9  o 14.616  0.2576 8.1770  43.100    2.04   -1.86  0.12   1.06   
1 1 1 30 2  10 o 4.9223  0.4939 2.0840  80.500    2.16   -1.62  -0.13  0.39   
1 1 1 30 2  11 o 11.301  0.2345 9.5892  -160.9000 -0.11  -1.35  0.31   0.01   
1 1 1 30 2  12 o 17.961  0.1428 17.793  106.500   -1.06  -0.12  -0.36  0.08   
1 1 1 30 2  13 o 15.183  0.1557 15.513  -15.5000  -0.10  -1.07  0.28   -0.24  
1 1 1 30 2  14 o 17.039  0.1722 22.623  145.000   0.05   0.56   0.06   -0.05  
1 1 1 30 2  15 o 7.3860  0.2394 5.0475  -29.1000  0.19   0.05   0.12   -0.10  
1 1 1 30 2  16 o 8.5943  0.2700 6.5052  -25.2000  -0.00  -0.34  0.02   0.01   
1 1 1 30 2  17 o 19.765  0.3931 17.976  -21.3000  3.22   -1.15  -0.20  0.64   
1 1 1 30 2  18 o 4.4453  0.7806 2.5814  -144.4000 0.38   -0.78  0.03   0.02   
1 1 1 30 2  19 o 11.866  0.1942 13.332  -41.0000  1.86   0.54   0.06   -0.86  
1 1 1 30 2  20 o 5.2010  0.3755 3.0502  176.300   0.21   0.84   0.16   0.08   
1 1 1 30 2  21 o 12.271  0.2867 11.784  -122.4000 1.13   -0.73  -0.19  -0.02  
1 1 1 30 2  22 o 9.5742  0.2609 9.3334  -149.7000 -0.42  -0.18  -0.02  0.04   
1 1 1 30 2  23 o 6.4539  0.4430 ?       ?         0.25   0.83   -0.10  0.08   
1 1 1 30 2  24 f 4.7939  1.4999 ?       ?         -0.29  0.16   -0.01  -0.00  
1 1 1 30 2  25 o 4.0249  1.4240 ?       ?         0.23   -0.49  0.00   0.00   
1 1 1 30 3  0  o 8.5615  0.1885 9.6514  -0.1000   0.06   0.00   0.00   0.00   
1 1 1 30 3  1  o 17.483  0.1501 12.374  77.200    -0.79  -0.43  -0.11  -0.37  
1 1 1 30 3  2  o 32.799  0.1948 35.508  -142.7000 -0.30  -0.29  0.03   -0.04  
1 1 1 30 3  3  o 43.034  0.2468 38.471  -117.7000 -6.21  -0.42  -6.10  3.04   
1 1 1 30 3  4  o 53.267  0.2528 57.311  162.600   -0.66  -0.19  0.23   -0.22  
1 1 1 30 3  5  o 24.331  0.1393 30.447  177.800   0.58   0.65   -0.27  -0.53  
1 1 1 30 3  6  o 10.812  0.4131 6.1077  54.200    7.14   2.56   -1.87  -1.74  
1 1 1 30 3  7  o 22.513  0.1372 24.984  -20.1000  0.42   0.66   -0.13  -0.53  
1 1 1 30 3  8  o 17.315  0.3004 18.364  -122.9000 0.11   -2.73  0.51   0.10   
1 1 1 30 3  9  o 31.797  0.1751 30.793  77.800    0.11   -0.05  0.02   0.01   
1 1 1 30 3  10 o 11.874  0.1408 8.5684  95.800    -0.24  -0.57  0.31   -0.14  
1 1 1 30 3  11 o 6.7516  0.2333 0.6829  146.600   -1.41  1.58   -0.03  0.91   
1 1 1 30 3  12 o 26.509  0.6535 23.425  20.800    7.34   9.53   1.05   -2.35  
1 1 1 30 3  13 o 20.229  0.1643 22.308  83.100    -0.10  -0.24  0.04   0.11   
1 1 1 30 3  14 o 20.771  0.4500 18.657  -62.0000  2.94   -2.92  0.21   0.71   
1 1 1 30 3  15 o 9.0919  0.4310 8.2748  -60.2000  1.95   -0.60  -0.20  0.08   
1 1 1 30 3  16 o 25.049  0.3872 23.674  -124.3000 0.06   -0.82  0.03   -0.02  
1 1 1 30 3  17 f 15.503  0.3334 16.796  36.000    -0.37  3.18   0.57   0.54   
1 1 1 30 3  18 o 16.294  0.1725 16.679  38.000    -0.07  0.37   -0.02  0.06   
1 1 1 30 3  19 o 18.943  0.1689 18.714  -42.9000  0.09   -1.04  -0.39  0.11   
1 1 1 30 3  20 o 15.425  0.1930 14.807  -174.9000 -1.68  -0.75  0.81   0.29   
1 1 1 30 3  21 o 3.5404  0.6040 2.9346  -34.1000  -0.11  -0.28  0.01   -0.00  
1 1 1 30 3  22 o 3.5731  0.5727 2.7648  -134.2000 -0.30  0.02   0.03   0.03   
1 1 1 30 3  23 o 9.4653  0.5000 ?       ?         0.72   0.04   -0.00  -0.03  
1 1 1 30 3  24 o 3.1323  0.9096 ?       ?         0.16   0.05   0.00   -0.00  
1 1 1 30 3  25 o 6.3166  1.3757 ?       ?         0.31   0.29   0.00   0.00   
1 1 1 30 4  0  o 19.478  0.2308 18.426  180.000   0.12   0.00   0.00   0.00   
1 1 1 30 4  1  o 17.686  0.1140 24.357  117.900   0.21   -0.26  0.06   0.07   
1 1 1 30 4  2  f 14.472  0.1427 26.328  -33.2000  2.63   0.95   -1.89  -2.68  
1 1 1 30 4  3  o 33.234  0.1660 37.114  175.400   -0.30  0.08   0.26   0.14   
1 1 1 30 4  4  o 31.755  0.2369 32.060  166.800   -0.30  4.35   3.27   -0.92  
1 1 1 30 4  5  o 18.307  0.4559 10.295  45.500    -2.47  2.53   0.05   0.42   
1 1 1 30 4  6  o 15.867  0.6013 19.831  70.200    8.53   5.50   -0.92  -1.77  
1 1 1 30 4  7  o 29.239  0.1596 28.472  156.000   -0.29  -0.02  -0.03  0.02   
1 1 1 30 4  8  o 31.002  0.1598 30.376  -34.2000  0.31   0.30   0.37   -0.11  
1 1 1 30 4  9  o 33.275  0.2672 31.272  -156.1000 -0.25  1.20   0.20   -0.01  
1 1 1 30 4  10 o 6.9609  0.1888 4.5950  -65.1000  0.03   0.04   0.02   0.13   
1 1 1 30 4  11 o 8.5516  0.4139 3.4671  -167.0000 1.28   -6.17  1.93   1.05   
1 1 1 30 4  12 o 15.433  0.2333 18.491  1.1000    0.36   2.34   1.02   0.04   
1 1 1 30 4  13 o 23.073  0.2639 23.916  114.700   -1.02  2.07   0.11   0.60   
1 1 1 30 4  14 o 14.684  0.1980 10.751  -163.1000 -2.14  0.60   -0.55  0.85   
1 1 1 30 4  15 o 24.475  0.2197 27.856  -19.4000  1.69   -3.14  1.78   0.26   
1 1 1 30 4  16 o 7.7363  0.2188 5.7665  -3.9000   1.30   -0.30  -0.42  -0.01  
1 1 1 30 4  17 o 16.240  0.3560 13.110  -107.9000 -3.67  -2.88  -0.83  -1.01  
1 1 1 30 4  18 o 6.4299  0.2897 4.6512  112.300   -0.00  0.03   0.00   -0.00  
1 1 1 30 4  19 o 4.3050  0.6811 4.1565  -76.8000  1.23   -1.47  0.12   0.21   
1 1 1 30 4  20 o 18.007  0.3126 17.742  -123.3000 -0.57  -2.78  0.38   0.49   
1 1 1 30 4  21 o 13.431  0.2118 14.944  -7.3000   0.03   -0.10  -0.00  -0.00  
1 1 1 30 4  22 o 5.6343  0.4074 4.5811  10.0000   0.39   0.11   0.07   -0.01  
1 1 1 30 4  23 o 4.6134  1.0036 ?       ?         0.24   -1.21  0.03   0.06   
1 1 1 30 4  24 o 10.585  0.3871 ?       ?         0.44   0.11   0.00   0.01   
1 1 1 30 4  25 o 3.1875  1.8337 ?       ?         -0.62  0.20   0.03   0.00   
1 1 1 30 5  0  o 7.9183  0.2031 13.677  -179.9000 -0.09  0.00   0.00   0.00   
1 1 1 30 5  1  o 11.916  0.2079 12.810  -111.4000 -0.42  1.30   0.32   0.17   
1 1 1 30 5  2  o 29.804  0.1932 35.271  -54.4000  0.02   -0.29  0.02   0.01   
1 1 1 30 5  3  o 24.756  0.7601 25.932  -145.0000 -1.80  -13.33 2.84   -1.08  
1 1 1 30 5  4  o 26.765  0.1417 19.900  102.300   -0.26  0.10   -0.05  0.01   
1 1 1 30 5  5  o 27.539  0.3500 27.855  -25.6000  4.71   3.41   -0.27  -2.20  
1 1 1 30 5  6  o 18.139  0.2030 20.451  -18.9000  -0.27  -0.49  0.05   -0.05  
1 1 1 30 5  7  o 29.863  0.2758 25.819  28.000    1.17   0.07   -0.16  -0.08  
1 1 1 30 5  8  o 10.919  0.1450 10.876  46.500    1.44   -0.31  -2.92  3.29   
1 1 1 30 5  9  o 7.4374  0.3566 7.8382  24.400    3.27   0.68   -0.85  -0.29  
1 1 1 30 5  10 o 13.287  0.2795 9.2920  137.600   -1.77  0.02   -0.30  -0.03  
1 1 1 30 5  11 o 20.389  0.1417 24.676  107.700   -0.22  2.80   2.93   -1.12  
1 1 1 30 5  12 o 8.2000  0.1948 11.017  -162.4000 -0.58  0.23   -0.11  0.89   
1 1 1 30 5  13 o 9.1242  0.3839 6.2346  149.400   -0.69  -1.21  0.09   -0.10  
1 1 1 30 5  14 o 10.597  0.1781 10.847  70.000    1.30   0.20   -0.38  -0.32  
1 1 1 30 5  15 o 7.4312  0.2380 6.0405  166.600   -0.00  0.20   0.02   0.02   
1 1 1 30 5  16 o 14.688  0.1671 14.294  148.700   -0.63  -0.00  -0.03  0.27   
1 1 1 30 5  17 o 6.0196  0.3011 5.6915  156.200   0.02   0.16   0.02   0.03   
1 1 1 30 5  18 o 13.258  0.1913 14.187  163.000   -0.32  -0.02  0.07   -0.02  
1 1 1 30 5  19 o 12.184  0.5559 10.314  128.300   1.96   1.94   0.11   -0.23  
1 1 1 30 5  20 o 11.344  0.2162 10.897  179.900   0.77   -0.43  0.28   -0.17  
1 1 1 30 5  21 f 6.8088  0.3311 4.6473  -159.8000 -0.85  0.27   0.08   0.17   
1 1 1 30 5  22 o 12.619  0.2250 12.535  -28.5000  -0.61  -0.65  0.09   0.03   
1 1 1 30 5  23 f 2.5226  1.1870 ?       ?         -0.17  -0.34  -0.04  -0.02  
1 1 1 30 5  24 o 3.7698  0.8821 ?       ?         -0.28  0.55   -0.04  -0.02  
1 1 1 30 5  25 o 9.4268  0.8113 ?       ?         -0.61  0.34   0.01   -0.00  
1 1 1 30 6  0  o 4.0620  0.2868 5.9951  -180.0000 -0.05  0.00   0.00   0.00   
1 1 1 30 6  1  o 34.736  0.6839 36.155  154.300   -9.21  4.07   -1.74  1.39   
1 1 1 30 6  2  o 31.968  0.4997 34.064  116.600   2.58   9.54   2.83   -2.46  
1 1 1 30 6  3  o 31.317  0.2117 35.528  -86.7000  -4.76  -0.31  -4.64  1.52   
1 1 1 30 6  4  o 38.217  0.8865 37.779  -119.2000 -17.12 -7.82  -3.11  -2.80  
1 1 1 30 6  5  o 4.0737  0.2385 8.4451  106.500   0.19   0.12   -0.91  -0.41  
1 1 1 30 6  6  o 13.875  0.2092 11.871  -179.1000 -0.84  2.79   1.40   1.50   
1 1 1 30 6  7  o 33.028  0.4106 37.928  -151.1000 0.53   0.51   0.01   -0.03  
1 1 1 30 6  8  o 41.310  0.1987 38.172  87.000    -1.37  1.46   -1.09  1.15   
1 1 1 30 6  9  o 12.501  0.1709 8.9495  -162.6000 -0.36  -0.46  0.00   -0.10  
1 1 1 30 6  10 o 15.383  0.1359 20.859  26.400    -0.61  0.29   -0.14  0.09   
1 1 1 30 6  11 o 29.659  0.3136 25.659  -115.6000 -0.96  -0.95  0.07   -0.16  
1 1 1 30 6  12 o 19.051  0.1434 20.519  145.400   0.17   0.93   0.30   0.05   
1 1 1 30 6  13 o 23.740  0.3815 26.125  -41.9000  1.12   1.12   0.05   -0.13  
1 1 1 30 6  14 o 11.732  0.1659 9.2473  -97.9000  -2.09  0.24   -1.19  1.23   
1 1 1 30 6  15 o 15.140  0.1612 17.294  35.100    -0.16  0.10   0.03   -0.08  
1 1 1 30 6  16 o 9.2966  0.3098 7.2117  -75.4000  1.30   -1.05  -0.16  0.25   
1 1 1 30 6  17 o 15.654  0.1738 14.595  51.500    -0.19  -0.28  -0.11  0.08   
1 1 1 30 6  18 o 5.3589  0.3367 5.8527  177.800   0.65   0.04   -0.11  0.08   
1 1 1 30 6  19 o 3.4797  0.4979 1.7471  -33.7000  0.40   -0.07  -0.01  0.08   
1 1 1 30 6  20 o 7.6788  0.3092 9.4593  104.500   -0.00  0.58   0.01   -0.10  
1 1 1 30 6  21 o 3.9471  1.7344 4.3599  -111.1000 -0.33  0.67   0.01   0.03   
1 1 1 30 6  22 o 1.9936  0.7759 0.7951  123.600   -0.01  -0.17  -0.00  0.02   
1 1 1 30 6  23 f 4.2427  0.5879 ?       ?         0.01   -0.17  0.00   -0.00  
1 1 1 30 6  24 o 5.5645  1.0424 ?       ?         -0.58  0.56   0.02   0.01   
1 1 1 30 6  25 o 7.2364  1.2156 ?       ?         0.05   0.02   0.00   -0.00  
1 1 1 30 7  0  o 3.7417  0.3190 2.0761  -0.1000   -0.00  0.00   0.00   0.00   
1 1 1 30 7  1  o 9.4979  0.1388 8.8030  -4.9000   -0.04  0.11   0.16   -0.35  
1 1 1 30 7  2  o 31.222  0.1581 35.047  -7.5000   -0.34  -0.17  0.27   0.60   
1 1 1 30 7  3  o 38.783  0.2588 42.555  -152.9000 -1.53  0.91   -0.42  0.27   
1 1 1 30 7  4  o 12.479  0.1176 11.178  98.100    -0.69  -0.21  -0.48  -0.14  
1 1 1 30 7  5  o 28.518  0.1656 26.764  -143.8000 -0.12  0.01   -0.01  0.01   
1 1 1 30 7  6  o 22.341  0.1748 20.711  170.400   -0.36  2.41   1.87   2.02   
1 1 1 30 7  7  o 22.854  0.1505 23.775  -168.6000 0.69   0.61   0.05   -0.24  
1 1 1 30 7  8  o 25.580  0.2238 26.613  -177.6000 -1.06  -0.35  -0.11  -0.13  
1 1 1 30 7  9  o 29.303  0.3755 30.489  11.900    2.09   2.44   0.28   -0.60  
1 1 1 30 7  10 o 20.633  0.5503 17.310  18.000    10.29  4.73   -2.28  -2.14  
1 1 1 30 7  11 o 13.202  0.1791 9.0270  -112.7000 0.39   -1.94  1.10   1.18   
1 1 1 30 7  12 o 13.744  0.1406 12.560  -108.0000 -0.79  -0.85  0.51   -0.75  
1 1 1 30 7  13 o 6.1073  0.3402 7.8112  -73.0000  0.28   -1.30  0.20   0.05   
1 1 1 30 7  14 o 17.227  0.2013 16.227  -111.3000 1.61   -1.06  -1.65  0.21   
1 1 1 30 7  15 o 16.277  0.1578 17.248  4.4000    0.50   0.05   0.00   -0.20  
1 1 1 30 7  16 o 10.179  0.1865 12.029  17.100    0.21   0.07   0.02   0.12   
1 1 1 30 7  17 o 9.4086  0.2139 9.7047  135.800   -0.18  0.31   0.15   -0.15  
1 1 1 30 7  18 o 8.0310  0.3594 7.8407  19.100    1.60   0.19   -0.21  -0.21  
1 1 1 30 7  19 o 15.372  0.3026 14.449  -7.5000   1.37   0.11   -0.12  0.13   
1 1 1 30 7  20 o 3.6378  0.6597 3.0294  56.100    0.04   0.24   0.01   0.00   
1 1 1 30 7  21 o 8.6402  0.4117 9.8197  153.700   0.41   0.88   -0.01  -0.07  
1 1 1 30 7  22 o 4.2963  0.5434 4.7665  100.700   0.60   0.40   -0.07  0.01   
1 1 1 30 7  23 o 7.0723  0.4762 ?       ?         1.04   -2.33  0.39   -0.22  
1 1 1 30 7  24 o 9.1165  0.4780 ?       ?         0.03   0.12   -0.00  0.00   
1 1 1 30 7  25 o 5.7397  1.0664 ?       ?         0.49   0.10   0.01   -0.00  
1 1 1 30 8  0  o 10.262  0.1536 6.6030  -179.7000 0.12   0.00   0.00   0.00   
1 1 1 30 8  1  o 8.3312  0.2073 1.7030  -110.8000 0.07   1.43   0.41   -0.08  
1 1 1 30 8  2  o 50.410  0.5660 45.972  -159.2000 -9.46  0.98   -3.07  1.96   
1 1 1 30 8  3  o 9.0530  0.1304 3.2725  13.300    -0.56  -0.66  -0.08  -0.84  
1 1 1 30 8  4  o 27.190  0.1465 29.549  -77.8000  -0.12  -0.21  -0.35  0.12   
1 1 1 30 8  5  o 36.952  0.2756 33.155  -149.6000 0.72   -4.55  2.52   -0.18  
1 1 1 30 8  6  o 34.942  0.1934 32.912  157.900   -1.05  -0.67  -0.35  -0.20  
1 1 1 30 8  7  o 21.236  0.1306 16.534  120.000   -0.03  -0.06  -0.05  0.03   
1 1 1 30 8  8  o 27.548  0.1460 26.687  -125.7000 -0.28  -0.36  0.16   -0.06  
1 1 1 30 8  9  o 18.055  0.1310 18.724  -164.2000 0.05   0.45   0.09   -0.06  
1 1 1 30 8  10 o 29.624  0.1918 28.255  6.0000    2.14   -0.16  -0.73  0.69   
1 1 1 30 8  11 o 14.892  0.5478 16.336  4.3000    4.72   5.38   0.25   -1.09  
1 1 1 30 8  12 o 13.937  0.2719 5.5152  0.8000    0.90   0.10   -0.07  -0.03  
1 1 1 30 8  13 o 8.8320  0.2015 6.8511  -142.0000 0.35   -0.48  -0.15  0.38   
1 1 1 30 8  14 o 17.861  0.1575 18.160  -71.5000  0.11   -2.07  0.87   -0.54  
1 1 1 30 8  15 o 4.9236  0.6142 5.9003  -144.5000 -3.00  -0.89  -0.39  -0.38  
1 1 1 30 8  16 o 9.5367  0.2055 9.3681  53.200    -0.14  0.48   -0.15  0.29   
1 1 1 30 8  17 o 15.049  0.1711 13.886  167.200   -1.40  -0.78  0.18   -0.58  
1 1 1 30 8  18 o 8.7650  0.2476 9.2858  -148.6000 -0.11  -0.54  0.09   0.16   
1 1 1 30 8  19 o 3.6748  0.5008 4.5095  73.300    -0.51  0.34   0.01   0.06   
1 1 1 30 8  20 o 8.4905  0.2647 6.7533  -22.6000  -0.06  -0.10  -0.00  -0.00  
1 1 1 30 8  21 o 13.240  0.2899 13.500  -26.1000  2.62   0.59   0.19   -0.64  
1 1 1 30 8  22 o 5.4752  0.4402 5.5124  140.900   -1.02  -0.38  0.16   -0.16  
1 1 1 30 8  23 o 4.5040  0.5714 ?       ?         0.34   -0.09  0.02   -0.01  
1 1 1 30 8  24 o 3.0142  1.0914 ?       ?         0.17   -0.33  -0.02  -0.01  
1 1 1 30 8  25 o 8.8114  0.8206 ?       ?         1.03   1.09   0.01   0.02   
1 1 1 30 9  0  o 11.520  0.1542 1.3024  -1.2000   -0.08  0.00   0.00   0.00   
1 1 1 30 9  1  f 38.503  0.1785 41.303  109.600   0.17   0.50   0.22   0.17   
1 1 1 30 9  2  o 13.172  0.2838 11.245  112.700   -4.47  -0.21  -2.40  -0.58  
1 1 1 30 9  3  o 29.544  0.6428 28.987  50.000    12.94  2.41   -3.20  -0.83  
1 1 1 30 9  4  o 23.617  0.3904 23.400  -63.7000  -2.10  -5.31  0.98   -1.22  
1 1 1 30 9  5  o 19.345  0.2594 15.744  -66.6000  0.77   -2.68  0.75   0.77   
1 1 1 30 9  6  o 33.363  0.5151 35.043  -39.2000  3.14   -1.79  -0.16  0.52   
1 1 1 30 9  7  o 24.542  0.4569 29.229  -44.4000  6.23   2.44   -0.96  -1.14  
1 1 1 30 9  8  o 11.117  0.2117 8.3211  11.900    3.33   -1.72  -2.02  1.94   
1 1 1 30 9  9  o 26.885  0.1470 26.673  -53.2000  -0.01  -0.93  -1.18  -2.58  
1 1 1 30 9  10 o 43.915  0.3402 47.762  -141.2000 2.03   -4.95  0.38   2.40   
1 1 1 30 9  11 o 6.8894  0.1959 3.3002  -68.4000  1.60   -0.59  -1.11  0.56   
1 1 1 30 9  12 o 20.560  0.1568 20.697  45.000    0.70   0.56   -1.79  0.92   
1 1 1 30 9  13 o 16.701  0.1685 16.754  -34.2000  -0.17  0.58   0.04   0.08   
1 1 1 30 9  14 o 12.001  0.1709 10.205  -27.3000  0.20   0.41   -0.02  -0.13  
1 1 1 30 9  15 o 13.050  0.5064 13.280  -65.1000  1.14   -4.44  0.76   0.16   
1 1 1 30 9  16 o 8.1107  0.2271 5.2202  -87.6000  0.23   0.56   -0.40  -0.45  
1 1 1 30 9  17 o 4.9784  0.5834 2.1919  -82.0000  -0.69  -0.75  0.02   -0.06  
1 1 1 30 9  18 o 1.6128  0.8016 1.5465  -46.9000  0.13   0.37   0.03   -0.01  
1 1 1 30 9  19 o 12.607  0.2020 12.053  176.000   -0.19  0.51   -0.05  -0.15  
1 1 1 30 9  20 o 4.1198  0.4623 5.1000  -49.7000  0.19   -0.08  0.01   0.01   
1 1 1 30 9  21 o 9.3388  0.3240 10.974  35.500    0.54   -0.29  0.02   0.03   
1 1 1 30 9  22 o 13.595  0.2481 16.031  -64.9000  2.21   -0.27  -0.01  -0.47  
1 1 1 30 9  23 o 7.4513  0.4548 ?       ?         -0.17  -0.42  -0.01  -0.01  
1 1 1 30 9  24 o 4.0154  0.9157 ?       ?         -0.20  -0.28  -0.00  0.01   
1 1 1 30 9  25 o 7.1685  0.8129 ?       ?         -0.01  0.60   -0.00  0.00   
1 1 1 30 10 0  o 24.278  0.2467 24.503  -180.0000 0.44   0.00   0.00   0.00   
1 1 1 30 10 1  o 30.239  0.5425 32.320  9.3000    10.74  1.85   -2.99  -1.60  
1 1 1 30 10 2  o 26.001  0.1792 33.763  -95.4000  0.29   -0.42  0.04   0.05   
1 1 1 30 10 3  o 32.071  0.7324 36.718  -102.3000 -2.77  -5.66  0.53   -0.51  
1 1 1 30 10 4  o 20.433  0.3567 23.750  -111.4000 -3.91  -3.65  0.13   -1.77  
1 1 1 30 10 5  o 15.635  0.1685 18.400  3.1000    0.63   -0.08  -0.11  0.07   
1 1 1 30 10 6  o 9.5067  0.1583 9.1976  -37.7000  0.17   -0.39  0.11   0.38   
1 1 1 30 10 7  o 27.852  0.4371 29.084  -33.9000  4.23   -7.04  1.45   1.96   
1 1 1 30 10 8  o 12.542  0.1388 15.524  -118.9000 0.32   -0.36  -0.11  0.26   
1 1 1 30 10 9  o 15.459  0.2279 14.286  -152.3000 -1.60  0.06   -0.39  0.12   
1 1 1 30 10 10 f 16.051  0.1371 16.772  -147.8000 -0.16  -0.22  0.23   -0.00  
1 1 1 30 10 11 o 15.359  0.1388 13.077  -30.4000  -0.36  -0.06  -0.06  -0.23  
1 1 1 30 10 12 o 23.214  0.2027 22.955  -179.3000 1.36   -2.71  0.29   1.30   
1 1 1 30 10 13 o 16.658  0.4072 15.741  -4.9000   1.02   -1.92  0.15   0.14   
1 1 1 30 10 14 o 16.087  0.1521 12.779  -4.9000   0.21   0.45   0.10   -0.01  
1 1 1 30 10 15 o 4.4384  0.3474 2.7420  -93.7000  0.10   -0.49  0.08   0.24   
1 1 1 30 10 16 f 21.589  0.2017 20.504  127.900   -2.24  0.27   -0.52  -0.60  
1 1 1 30 10 17 o 16.902  0.1602 16.748  146.600   -0.45  0.11   0.13   -0.13  
1 1 1 30 10 18 o 11.923  0.1919 10.426  131.500   -0.56  -0.22  0.03   -0.09  
1 1 1 30 10 19 o 2.1619  0.6790 4.0563  -130.6000 -0.01  -0.02  -0.00  -0.00  
1 1 1 30 10 20 o 6.2806  0.3987 4.7401  113.000   1.33   1.09   0.17   -0.27  
1 1 1 30 10 21 o 5.6207  0.3486 5.1296  177.500   0.10   -0.11  0.00   0.00   
1 1 1 30 10 22 o 8.0888  0.3547 8.4614  160.800   -0.49  -0.61  -0.10  0.02   
1 1 1 30 10 23 o 6.6293  0.6697 ?       ?         0.84   -0.37  0.02   0.03   
1 1 1 30 10 24 o 8.1264  0.5377 ?       ?         0.79   0.43   0.04   0.01   
1 1 1 30 10 25 o 4.2705  2.2435 ?       ?         0.31   -0.45  0.01   -0.01  
1 1 1 30 11 0  o 6.1074  0.2135 18.821  0.2000    -0.02  0.00   0.00   0.00   
1 1 1 30 11 1  o 26.990  0.2847 25.671  76.100    -1.44  0.28   -0.16  0.11   
1 1 1 30 11 2  o 17.025  0.4025 19.676  -160.6000 -6.07  -4.55  -0.89  -2.25  
1 1 1 30 11 3  o 20.354  0.6035 18.915  -154.7000 -7.88  6.81   -0.15  1.99   
1 1 1 30 11 4  o 48.320  0.2914 48.606  -95.7000  1.54   0.71   -0.39  -0.06  
1 1 1 30 11 5  o 12.005  0.4636 9.2293  114.000   8.40   4.35   -2.32  -2.79  
1 1 1 30 11 6  o 36.422  0.1761 37.800  169.500   -0.93  1.10   1.55   0.62   
1 1 1 30 11 7  o 15.370  0.1512 9.8948  -71.1000  1.00   0.29   -3.45  0.77   
1 1 1 30 11 8  o 33.462  0.1821 34.051  -127.4000 -0.83  -0.55  -0.71  1.71   
1 1 1 30 11 9  o 22.924  0.2905 26.229  124.400   -2.67  0.63   -0.49  0.41   
1 1 1 30 11 10 o 9.2546  0.2878 8.9408  88.900    1.69   0.81   -0.18  -0.30  
1 1 1 30 11 11 o 15.955  0.3749 17.583  21.200    1.34   5.17   1.28   -0.47  
1 1 1 30 11 12 o 18.446  0.1861 22.389  -108.9000 -0.38  -0.69  0.00   -0.13  
1 1 1 30 11 13 f 24.270  0.4591 26.416  -58.5000  3.65   -0.63  -0.50  0.01   
1 1 1 30 11 14 o 7.3186  0.2214 6.3748  -36.7000  -0.49  -0.24  -0.02  -0.08  
1 1 1 30 11 15 o 8.2829  0.2313 9.0480  -174.5000 -1.06  -1.14  -0.44  -0.64  
1 1 1 30 11 16 o 7.2952  0.2732 7.2138  102.700   -0.98  1.09   -0.39  0.58   
1 1 1 30 11 17 o 9.5178  0.2379 10.441  -38.9000  1.56   -0.71  -0.07  0.50   
1 1 1 30 11 18 o 7.0294  0.8517 8.6775  106.900   0.41   2.16   0.10   -0.01  
1 1 1 30 11 19 o 9.2387  0.2495 9.4459  -165.7000 -0.28  0.23   0.08   -0.03  
1 1 1 30 11 20 o 9.1406  0.3685 10.076  -113.6000 -0.84  -2.39  0.55   0.10   
1 1 1 30 11 21 o 8.3718  0.3445 10.041  26.000    0.31   1.14   0.12   0.08   
1 1 1 30 11 22 o 9.4953  0.3001 8.8538  -90.2000  0.09   -0.07  -0.00  -0.00  
1 1 1 30 11 23 o 4.5829  0.5682 ?       ?         -0.62  0.23   -0.03  -0.04  
1 1 1 30 11 24 f 3.2336  0.9434 ?       ?         0.12   -0.28  -0.01  -0.00  
1 1 1 30 11 25 o 5.8188  1.4904 ?       ?         0.43   -0.33  -0.01  -0.00  
1 1 1 30 12 0  o 15.799  0.2123 8.5234  -179.8000 0.07   0.00   0.00   0.00   
1 1 1 30 12 1  o 10.128  0.4956 10.355  -164.7000 -10.13 -5.91  -1.84  -2.96  
1 1 1 30 12 2  o 14.281  0.2277 10.101  -171.2000 -0.49  -2.77  0.87   -0.46  
1 1 1 30 12 3  o 32.443  0.3311 32.327  133.100   -2.81  2.28   -0.62  1.00   
1 1 1 30 12 4  o 45.693  0.3298 40.118  77.500    0.57   0.66   -0.04  -0.08  
1 1 1 30 12 5  o 30.617  0.7106 33.602  132.600   -2.97  5.98   0.64   0.62   
1 1 1 30 12 6  o 21.803  0.1535 14.971  -146.2000 -0.19  -0.04  0.37   0.13   
1 1 1 30 12 7  o 14.325  0.1269 17.246  105.200   -0.55  -0.05  -0.38  -0.52  
1 1 1 30 12 8  f 15.908  0.3191 16.385  69.300    2.70   1.48   -0.38  -0.45  
1 1 1 30 12 9  f 13.237  0.1559 16.840  154.400   -0.92  -0.63  -0.02  -0.37  
1 1 1 30 12 10 o 14.792  0.4039 17.591  -172.9000 -2.23  -5.28  1.08   -0.84  
1 1 1 30 12 11 o 11.910  0.3963 11.451  106.200   -1.50  5.38   1.15   0.52   
1 1 1 30 12 12 o 17.857  0.1617 16.034  -77.2000  -0.19  -1.83  0.65   -0.70  
1 1 1 30 12 13 o 6.6089  0.2349 5.6329  -49.5000  0.21   -0.48  0.05   0.03   
1 1 1 30 12 14 o 6.9246  0.2540 6.9044  -142.7000 -0.19  -0.09  0.06   0.23   
1 1 1 30 12 15 f 16.047  0.5602 15.883  131.300   0.12   6.26   0.97   0.26   
1 1 1 30 12 16 o 7.0992  0.2480 5.9612  -111.0000 -1.02  -0.57  -0.50  -0.16  
1 1 1 30 12 17 o 15.066  0.2144 14.581  96.600    -0.19  -0.29  -0.01  -0.02  
1 1 1 30 12 18 o 3.8051  0.4476 3.3445  -19.5000  0.06   0.06   0.01   0.00   
1 1 1 30 12 19 o 6.2577  0.3316 6.7398  141.000   0.27   0.34   -0.04  -0.04  
1 1 1 30 12 20 o 12.727  0.2187 12.990  -58.5000  -0.34  0.02   0.03   0.02   
1 1 1 30 12 21 o 9.0222  0.2813 9.2469  -91.8000  0.63   -0.55  -0.13  -0.04  
1 1 1 30 12 22 f 8.9513  0.3389 9.6271  -13.3000  1.32   -1.21  0.31   0.04   
1 1 1 30 12 23 o 3.3792  0.7598 ?       ?         -0.00  -0.41  0.00   0.02   
1 1 1 30 12 24 o 2.5533  1.0106 ?       ?         -0.03  0.16   -0.00  -0.00  
1 1 1 30 12 25 o 9.4742  0.8451 ?       ?         -0.17  -0.80  0.00   0.00   
1 1 1 30 13 0  o 24.501  0.1863 25.171  -180.0000 -0.25  0.00   0.00   0.00   
1 1 1 30 13 1  o 10.308  0.1301 6.2181  42.600    1.54   -0.26  -0.87  0.16   
1 1 1 30 13 2  o 15.579  0.2534 15.004  57.700    -1.16  -0.19  -0.19  -0.02  
1 1 1 30 13 3  o 47.650  0.5762 45.026  -27.4000  -2.05  -7.67  1.47   -1.81  
1 1 1 30 13 4  o 15.140  0.1521 10.560  141.700   -0.16  0.17   -0.56  -0.20  
1 1 1 30 13 5  o 39.907  1.0444 42.626  -69.6000  4.71   -17.36 2.34   1.03   
1 1 1 30 13 6  o 10.207  0.1581 9.6566  91.500    0.27   -0.02  -0.39  -0.32  
1 1 1 30 13 7  o 16.803  0.1511 15.326  127.200   0.78   1.56   0.29   -0.96  
1 1 1 30 13 8  o 24.883  0.5141 19.011  142.900   -4.46  8.09   0.95   2.17   
1 1 1 30 13 9  o 9.8276  0.1484 11.282  144.600   -0.46  1.38   1.43   0.42   
1 1 1 30 13 10 o 24.004  0.1404 21.687  -15.6000  -0.11  -0.70  0.08   -0.40  
1 1 1 30 13 11 o 27.333  0.1959 25.643  -114.0000 -2.79  0.22   -1.21  -0.58  
1 1 1 30 13 12 o 15.593  0.1756 16.445  -102.6000 0.06   -0.13  -0.07  -0.03  
1 1 1 30 13 13 o 10.032  0.2587 11.048  77.400    -1.56  1.28   -0.24  0.44   
1 1 1 30 13 14 o 11.614  0.1879 7.6646  -140.1000 0.61   -0.31  0.00   0.13   
1 1 1 30 13 15 o 14.571  0.1602 13.892  -174.3000 -0.77  -0.22  -0.18  0.07   
1 1 1 30 13 16 o 6.5154  0.6128 5.0256  -95.5000  2.47   -2.89  -0.03  0.55   
1 1 1 30 13 17 o 5.6893  0.4679 5.4028  54.200    0.99   1.10   0.08   -0.17  
1 1 1 30 13 18 o 11.422  0.2302 10.872  -105.0000 0.05   -0.68  0.03   0.07   
1 1 1 30 13 19 f 11.892  0.2062 12.863  -61.5000  0.26   -0.74  -0.06  0.13   
1 1 1 30 13 20 o 4.6543  0.4087 5.8873  -149.4000 -0.21  -0.53  -0.00  -0.05  
1 1 1 30 13 21 o 8.5458  0.3112 7.9580  -160.6000 -1.36  0.13   0.07   0.26   
1 1 1 30 13 22 o 14.730  0.2338 15.294  166.200   -1.63  -1.20  0.09   0.47   
1 1 1 30 13 23 o 6.1946  0.5205 ?       ?         0.06   -0.91  -0.04  -0.04  
1 1 1 30 13 24 o 6.6828  0.5590 ?       ?         -1.40  1.21   -0.09  -0.07  
1 1 1 30 13 25 o 6.8118  0.7155 ?       ?         0.28   0.16   0.00   -0.00  
1 1 1 30 14 0  o 7.8613  0.1742 8.7508  179.800   -0.15  0.00   0.00   0.00   
1 1 1 30 14 1  o 10.157  0.1167 10.019  162.900   -0.31  0.17   -0.39  0.16   
1 1 1 30 14 2  o 24.726  0.1924 23.768  67.500    2.14   1.15   -1.10  -0.75  
1 1 1 30 14 3  o 17.993  0.7546 16.548  -17.7000  16.83  -0.15  -4.07  -0.22  
1 1 1 30 14 4  o 38.781  0.4701 36.259  -53.9000  1.19   1.50   -0.00  -0.15  
1 1 1 30 14 5  o 14.361  0.3065 17.383  113.000   2.99   4.05   0.31   -1.47  
1 1 1 30 14 6  o 35.035  0.5748 26.963  45.600    8.23   0.42   -1.88  0.26   
1 1 1 30 14 7  o 20.988  0.1569 21.924  14.900    -0.04  0.78   0.33   -0.21  
1 1 1 30 14 8  o 17.802  0.3613 15.321  28.200    1.61   6.02   1.77   -0.72  
1 1 1 30 14 9  o 20.744  0.1428 21.783  95.000    0.12   -0.64  0.12   0.23   
1 1 1 30 14 10 o 13.089  0.3433 10.628  -161.3000 -1.82  -2.98  0.22   -0.65  
1 1 1 30 14 11 f 9.5728  0.3165 6.3967  79.300    0.52   1.16   0.07   -0.11  
1 1 1 30 14 12 o 23.660  0.1549 25.144  17.900    0.37   1.75   0.91   0.61   
1 1 1 30 14 13 o 8.4944  0.2060 6.6360  -128.9000 0.48   -0.09  -0.30  -0.25  
1 1 1 30 14 14 o 13.955  0.1673 13.719  146.500   -0.71  0.82   0.67   0.02   
1 1 1 30 14 15 o 3.3878  1.1449 2.6962  -11.0000  0.38   1.70   0.17   -0.05  
1 1 1 30 14 16 o 12.070  0.1920 12.328  -162.5000 -0.24  -1.54  0.81   0.87   
1 1 1 30 14 17 o 6.3085  0.3015 6.4963  -65.1000  0.26   0.09   -0.03  0.08   
1 1 1 30 14 18 o 12.791  0.2993 12.309  -158.5000 -0.02  -0.14  0.00   -0.00  
1 1 1 30 14 19 o 16.909  0.1853 19.400  128.900   -0.70  0.03   0.01   -0.06  
1 1 1 30 14 20 o 11.068  0.3823 11.147  54.400    0.08   -0.75  0.01   0.04   
1 1 1 30 14 21 o 16.196  0.2823 16.574  -98.2000  -0.31  -0.73  -0.04  -0.02  
1 1 1 30 14 22 o 5.9441  0.4702 ?       ?         0.92   -0.06  0.02   0.07   
1 1 1 30 14 23 o 6.2780  0.5874 ?       ?         -0.75  0.06   0.02   -0.02  
1 1 1 30 14 24 o 9.3056  0.9105 ?       ?         -1.27  1.18   0.06   -0.00  
1 1 1 30 14 25 o 4.0832  0.9680 ?       ?         0.18   0.04   0.00   0.00   
1 1 1 30 15 0  o 6.1319  0.1974 3.9277  179.900   0.01   0.00   0.00   0.00   
1 1 1 30 15 1  o 9.9830  0.1120 10.097  -51.9000  0.20   -0.40  0.05   0.11   
1 1 1 30 15 2  o 15.141  0.4866 13.846  -167.8000 -3.76  7.63   1.58   1.72   
1 1 1 30 15 3  o 13.065  0.2564 18.740  -32.9000  0.01   -1.40  0.25   -0.03  
1 1 1 30 15 4  f 44.199  0.2932 39.412  145.300   -5.88  -0.83  -2.65  -2.71  
1 1 1 30 15 5  o 13.802  0.4410 16.205  -42.8000  2.73   -8.21  1.72   1.48   
1 1 1 30 15 6  o 25.400  0.2536 22.449  -28.9000  2.13   -4.34  2.56   1.58   
1 1 1 30 15 7  o 8.2178  0.1617 5.6096  24.500    0.26   0.30   0.23   -0.32  
1 1 1 30 15 8  o 15.974  0.1326 17.516  -25.3000  -0.03  -0.12  -0.05  -0.06  
1 1 1 30 15 9  o 12.547  0.2878 10.833  -164.1000 -1.01  -4.33  1.50   -1.09  
1 1 1 30 15 10 o 13.030  0.2643 13.269  -52.2000  -0.08  -0.93  0.07   0.00   
1 1 1 30 15 11 o 16.973  0.5666 17.107  -142.1000 -4.77  -4.36  0.07   -0.95  
1 1 1 30 15 12 o 11.888  0.1767 13.630  -151.7000 0.17   -0.54  0.25   -0.06  
1 1 1 30 15 13 o 4.0858  0.5416 4.8269  95.800    -1.00  1.23   0.01   0.18   
1 1 1 30 15 14 o 7.9107  0.2180 9.1382  42.600    0.21   0.15   -0.07  0.16   
1 1 1 30 15 15 o 4.6843  0.3459 3.7745  97.700    0.06   0.48   0.05   -0.05  
1 1 1 30 15 16 o 18.513  0.1672 20.302  -90.4000  -1.35  -0.95  -1.16  0.79   
1 1 1 30 15 17 o 15.843  0.3032 13.467  -89.3000  -1.74  0.31   -0.09  0.29   
1 1 1 30 15 18 o 4.5164  0.4099 2.0184  111.700   -0.46  -0.11  -0.06  0.16   
1 1 1 30 15 19 o 3.3908  0.5015 3.2009  108.900   0.21   0.30   0.06   0.01   
1 1 1 30 15 20 o 5.7365  0.7191 6.4559  -127.0000 0.75   -1.12  -0.02  0.09   
1 1 1 30 15 21 o 6.2686  0.4246 5.9406  -162.6000 -0.53  -0.30  0.04   -0.03  
1 1 1 30 15 22 o 8.9834  0.6663 ?       ?         -2.10  -0.44  -0.01  -0.15  
1 1 1 30 15 23 o 4.3370  1.3471 ?       ?         0.72   0.16   0.01   -0.04  
1 1 1 30 15 24 o 12.011  0.7611 ?       ?         -2.79  2.02   -0.18  -0.13  
1 1 1 30 15 25 o 1.9167  1.2739 ?       ?         0.19   -0.24  0.00   -0.01  
1 1 1 30 16 0  o 6.1074  0.2058 0.3650  3.7000    -0.03  0.00   0.00   0.00   
1 1 1 30 16 1  f 22.296  0.1554 21.401  -82.6000  -2.27  -1.43  0.07   -2.58  
1 1 1 30 16 2  o 28.547  0.1434 28.753  -157.0000 -0.93  0.14   0.03   1.88   
1 1 1 30 16 3  o 31.860  0.1676 33.611  -176.3000 -0.55  -0.79  0.66   -0.24  
1 1 1 30 16 4  o 14.168  0.2690 13.511  -160.5000 -1.05  3.81   1.39   0.59   
1 1 1 30 16 5  o 30.396  0.1526 30.096  -42.9000  0.05   -0.10  0.01   -0.02  
1 1 1 30 16 6  o 26.694  0.1571 19.476  30.600    -0.09  -0.33  0.12   0.12   
1 1 1 30 16 7  o 25.879  0.2021 27.185  -121.5000 -5.81  -0.78  -5.66  0.67   
1 1 1 30 16 8  o 23.378  0.3892 18.818  24.000    1.95   2.50   0.21   -0.42  
1 1 1 30 16 9  f 5.6022  0.2342 3.7124  29.500    -0.12  0.67   0.32   0.27   
1 1 1 30 16 10 o 23.839  0.2555 23.483  124.800   -1.59  1.76   -0.14  0.50   
1 1 1 30 16 11 o 7.8023  0.3780 8.0985  123.700   -2.22  0.35   -0.36  0.06   
1 1 1 30 16 12 o 3.8579  0.3371 3.2836  38.400    0.20   -0.07  0.44   0.29   
1 1 1 30 16 13 o 6.3351  0.4239 3.7292  -69.4000  0.20   -0.20  0.00   0.01   
1 1 1 30 16 14 o 3.5979  0.3957 2.7885  -116.2000 0.11   -0.07  0.07   -0.05  
1 1 1 30 16 15 o 9.6822  0.2006 9.5937  -157.0000 0.04   0.42   -0.20  0.26   
1 1 1 30 16 16 o 12.816  0.1897 10.456  -171.3000 -0.17  -0.25  0.03   -0.00  
1 1 1 30 16 17 o 9.0271  0.2363 9.6834  -120.9000 1.47   -0.51  -0.50  -0.12  
1 1 1 30 16 18 f 3.6224  0.4610 1.2527  5.5000    -0.28  -0.03  0.03   0.09   
1 1 1 30 16 19 o 4.2081  0.4389 5.3955  45.200    0.82   -0.13  -0.05  0.09   
1 1 1 30 16 20 o 3.9008  0.5650 4.7817  -54.7000  -0.29  -0.45  0.03   -0.01  
1 1 1 30 16 21 o 14.035  0.2502 14.663  25.100    1.87   0.32   0.33   0.29   
1 1 1 30 16 22 f 8.6404  0.3779 ?       ?         -0.50  1.60   0.06   -0.16  
1 1 1 30 16 23 o 7.7321  0.7382 ?       ?         0.34   0.12   0.00   -0.00  
1 1 1 30 16 24 o 9.4484  0.4792 ?       ?         0.47   -0.47  -0.01  -0.01  
1 1 1 30 16 25 o 5.1402  0.8790 ?       ?         -0.41  1.07   -0.02  -0.02  
1 1 1 30 17 0  o 31.467  0.2710 30.728  0.0000    0.26   0.00   0.00   0.00   
1 1 1 30 17 1  f 41.165  0.4356 40.250  -169.4000 -6.40  -1.90  -1.40  -1.87  
1 1 1 30 17 2  o 24.638  0.9728 23.488  54.400    35.30  0.35   -8.56  0.36   
1 1 1 30 17 3  f 21.217  0.3744 27.983  -123.2000 -0.68  -2.04  0.17   -0.10  
1 1 1 30 17 4  o 19.736  0.1540 13.586  113.700   -0.49  0.56   0.08   0.14   
1 1 1 30 17 5  o 14.817  0.1181 12.087  -133.1000 -0.03  -0.23  -0.67  0.32   
1 1 1 30 17 6  o 12.912  0.1406 17.076  87.100    -2.65  1.22   -2.15  1.50   
1 1 1 30 17 7  o 8.6635  0.1694 9.2729  46.300    0.61   0.55   0.02   -0.23  
1 1 1 30 17 8  o 11.596  0.1713 13.244  -108.5000 0.09   -1.15  0.31   0.14   
1 1 1 30 17 9  o 13.798  0.5282 17.124  -27.2000  8.56   5.40   -0.80  -2.25  
1 1 1 30 17 10 o 15.873  0.4908 15.031  21.600    6.85   -2.29  -1.06  0.61   
1 1 1 30 17 11 o 7.1506  0.2169 6.0994  -148.6000 0.11   -0.67  0.36   1.01   
1 1 1 30 17 12 o 20.128  0.1487 19.002  106.500   -0.89  -0.04  0.82   0.72   
1 1 1 30 17 13 o 7.4971  0.3214 8.9144  -173.6000 -2.78  0.19   -0.75  -0.10  
1 1 1 30 17 14 o 3.2900  0.4174 6.2189  -98.1000  0.28   -0.04  -0.05  -0.02  
1 1 1 30 17 15 o 5.7499  0.3196 3.7261  -75.8000  0.33   -0.15  0.00   0.06   
1 1 1 30 17 16 o 5.0826  0.3871 4.2701  62.400    -0.75  -0.73  -0.06  -0.13  
1 1 1 30 17 17 o 5.4961  0.3353 4.2617  -31.8000  0.15   0.22   -0.02  -0.02  
1 1 1 30 17 18 o 7.6122  0.2735 7.3572  -47.0000  0.31   -0.30  -0.08  -0.13  
1 1 1 30 17 19 o 5.6076  0.3702 6.3288  53.800    0.20   -0.24  0.03   -0.00  
1 1 1 30 17 20 o 4.7723  0.4704 4.5805  134.200   0.22   -0.12  0.01   -0.02  
1 1 1 30 17 21 o 4.0723  0.5761 4.2766  -26.9000  0.08   0.12   0.00   0.00   
1 1 1 30 17 22 o 3.6912  0.6799 ?       ?         0.21   -0.35  -0.02  -0.02  
1 1 1 30 17 23 o 4.9977  0.6402 ?       ?         0.14   -0.44  -0.01  -0.00  
1 1 1 30 17 24 o 4.2679  0.8121 ?       ?         0.29   -0.32  0.01   -0.00  
1 1 1 30 17 25 o 10.116  0.4699 ?       ?         -0.37  2.01   -0.06  -0.02  
1 1 1 30 18 0  o 1.6125  0.5679 2.7678  -0.5000   -0.00  0.00   0.00   0.00   
1 1 1 30 18 1  o 35.408  0.3400 28.999  -168.8000 -1.24  -1.55  -0.03  -0.28  
1 1 1 30 18 2  o 24.666  0.5129 18.581  -167.9000 -6.80  -0.04  -1.17  0.13   
1 1 1 30 18 3  f 32.820  0.1733 29.683  -142.8000 -0.56  0.74   0.61   0.02   
1 1 1 30 18 4  o 16.310  0.1403 21.803  -92.6000  -0.05  0.75   0.50   0.74   
1 1 1 30 18 5  o 20.470  0.1344 18.506  -121.6000 0.01   -0.23  0.06   -0.07  
1 1 1 30 18 6  o 24.584  0.1457 27.434  25.800    0.22   1.21   0.31   -0.37  
1 1 1 30 18 7  o 27.175  0.1834 29.269  22.600    -0.45  4.10   2.49   2.55   
1 1 1 30 18 8  o 8.0757  0.1750 5.4741  145.600   -1.68  1.27   -0.04  1.50   
1 1 1 30 18 9  o 19.554  0.1871 16.491  -53.5000  0.34   -1.20  0.14   0.19   
1 1 1 30 18 10 o 14.602  0.1471 12.009  134.300   0.28   -0.05  0.06   0.17   
1 1 1 30 18 11 o 6.7026  0.4545 6.1194  -137.0000 -1.09  -1.46  0.06   -0.14  
1 1 1 30 18 12 o 19.625  0.3549 17.729  -42.4000  0.81   -1.91  0.08   0.18   
1 1 1 30 18 13 o 12.715  0.4130 13.319  143.600   -0.46  0.88   0.01   0.05   
1 1 1 30 18 14 o 4.3665  0.6470 5.5763  73.400    0.29   0.45   0.01   -0.01  
1 1 1 30 18 15 o 8.6364  0.2510 8.2324  -103.2000 -0.39  -0.88  0.14   -0.05  
1 1 1 30 18 16 o 7.9180  0.2515 5.7039  -25.0000  0.21   0.40   -0.01  -0.07  
1 1 1 30 18 17 o 5.7464  0.3349 5.7746  -28.9000  -0.25  0.39   0.13   -0.04  
1 1 1 30 18 18 f 10.425  0.2264 8.4354  -72.0000  0.53   1.04   -0.23  -0.24  
1 1 1 30 18 19 o 9.6890  0.2304 11.127  -82.9000  0.03   -0.78  -0.22  -0.14  
1 1 1 30 18 20 o 10.857  0.8255 11.450  -118.4000 -3.32  -4.07  -0.20  -0.50  
1 1 1 30 18 21 o 7.9703  0.3352 8.9885  94.400    0.26   -0.34  -0.03  -0.02  
1 1 1 30 18 22 o 6.9950  0.8996 ?       ?         0.53   -1.10  -0.02  0.04   
1 1 1 30 18 23 o 6.0873  0.6463 ?       ?         0.45   0.02   0.01   -0.00  
1 1 1 30 18 24 o 4.9695  0.7986 ?       ?         0.41   -0.59  0.00   -0.02  
1 1 1 30 18 25 o 7.2955  0.7233 ?       ?         0.59   -1.99  -0.02  -0.02  
1 1 1 30 19 0  f 12.669  0.2058 8.6222  -0.3000   0.18   0.00   0.00   0.00   
1 1 1 30 19 1  o 19.104  0.7049 22.454  -51.3000  -1.59  -1.60  -0.01  -0.09  
1 1 1 30 19 2  o 13.954  0.5235 13.391  -19.2000  2.54   -3.36  0.18   0.45   
1 1 1 30 19 3  o 10.899  0.3530 8.6294  176.900   -2.51  3.18   0.32   0.91   
1 1 1 30 19 4  o 16.084  0.5788 11.847  -27.7000  1.17   -6.15  0.68   0.34   
1 1 1 30 19 5  f 12.465  0.1399 12.481  -167.6000 -0.62  -0.78  0.58   -0.71  
1 1 1 30 19 6  o 7.1787  0.1559 5.1455  -65.3000  -0.24  0.08   -0.05  0.12   
1 1 1 30 19 7  o 11.609  0.2619 6.7673  -56.5000  1.70   0.15   -0.28  -0.00  
1 1 1 30 19 8  o 24.580  0.1478 27.875  -7.6000   -0.72  0.02   0.76   0.81   
1 1 1 30 19 9  o 15.658  0.3019 12.056  16.200    4.05   -0.75  -0.81  0.50   
1 1 1 30 19 10 o 6.6629  0.4298 8.0718  -125.2000 0.47   -2.26  0.25   0.15   
1 1 1 30 19 11 o 16.119  0.1540 12.781  145.100   -0.20  -0.21  -0.09  -0.03  
1 1 1 30 19 12 o 8.4771  0.2026 4.1207  12.200    0.42   0.15   -0.02  -0.08  
1 1 1 30 19 13 o 11.863  0.2090 14.308  -110.0000 1.64   -2.06  -0.64  1.19   
1 1 1 30 19 14 o 16.904  0.3105 16.009  -121.2000 -1.80  -1.25  0.11   -0.36  
1 1 1 30 19 15 o 18.026  0.3065 18.229  -131.4000 -1.76  -0.73  -0.25  -0.05  
1 1 1 30 19 16 o 7.2381  0.2619 8.9183  59.300    1.27   0.60   -0.84  0.26   
1 1 1 30 19 17 f 5.9189  0.3119 6.3034  -138.6000 -0.03  0.31   0.01   0.04   
1 1 1 30 19 18 o 3.4256  0.5265 2.9102  -119.5000 0.14   -0.31  -0.04  -0.09  
1 1 1 30 19 19 o 9.5525  0.4153 10.295  98.700    0.23   1.31   0.03   -0.11  
1 1 1 30 19 20 o 3.1226  0.6942 1.1686  61.600    -0.08  0.18   -0.01  -0.01  
1 1 1 30 19 21 o 4.1715  0.5629 4.0076  28.800    0.04   0.10   -0.00  -0.00  
1 1 1 30 19 22 o 0.0000  2.3178 ?       ?         0.06   -0.02  0.00   -0.00  
1 1 1 30 19 23 o 6.7767  0.5436 ?       ?         -0.34  0.72   -0.01  -0.02  
1 1 1 30 19 24 o 5.9383  0.6239 ?       ?         0.84   -1.99  -0.08  -0.01  
1 1 1 30 19 25 o 9.1118  0.6950 ?       ?         -1.09  -0.91  -0.01  -0.00  
1 1 1 30 20 0  o 49.703  0.4071 56.614  0.0000    1.05   0.00   0.00   0.00   
1 1 1 30 20 1  o 9.9966  0.1356 5.5548  47.200    -0.69  0.06   -0.36  0.23   
1 1 1 30 20 2  o 17.799  1.0516 18.791  159.800   -18.91 -5.80  -2.35  -1.39  
1 1 1 30 20 3  o 11.417  0.3033 6.9960  159.100   -0.90  -0.60  -0.04  -0.08  
1 1 1 30 20 4  o 13.850  0.1209 12.673  155.100   -1.40  -0.56  -1.72  -0.55  
1 1 1 30 20 5  o 26.150  0.1364 24.837  -28.7000  2.33   1.00   -0.38  -2.44  
1 1 1 30 20 6  o 13.903  0.3340 13.238  -78.1000  -0.71  -3.90  0.89   -0.19  
1 1 1 30 20 7  o 29.041  0.2332 29.879  29.400    6.76   1.05   -5.28  1.11   
1 1 1 30 20 8  o 9.6122  0.2850 11.693  -163.0000 -1.15  -6.28  2.74   -0.64  
1 1 1 30 20 9  o 10.822  0.1650 13.305  91.400    -0.07  0.29   -0.28  -0.46  
1 1 1 30 20 10 o 16.892  0.1460 14.210  -27.8000  -0.06  -0.48  0.08   0.05   
1 1 1 30 20 11 f 12.702  0.1685 11.156  37.500    1.07   -1.21  -0.32  0.62   
1 1 1 30 20 12 o 11.661  0.1859 13.576  65.300    -0.01  -0.11  0.00   0.00   
1 1 1 30 20 13 o 32.000  0.2304 35.693  88.200    -2.26  2.97   -1.28  0.49   
1 1 1 30 20 14 o 12.770  0.2983 12.354  32.300    -1.25  1.95   -0.05  0.47   
1 1 1 30 20 15 o 7.3282  0.2454 6.7928  34.500    0.72   -0.08  -0.10  -0.04  
1 1 1 30 20 16 o 15.936  0.1773 14.739  -151.7000 -0.02  0.30   -0.02  0.02   
1 1 1 30 20 17 o 4.6932  0.9914 2.9285  -72.2000  0.75   -0.56  0.00   0.03   
1 1 1 30 20 18 o 4.7651  0.4070 6.1941  105.400   -0.14  0.51   -0.01  -0.17  
1 1 1 30 20 19 o 6.6873  0.5822 5.5553  -5.9000   1.66   -0.48  -0.15  -0.02  
1 1 1 30 20 20 o 8.3471  0.3708 9.0070  42.200    -0.06  0.51   -0.00  0.02   
1 1 1 30 20 21 o 6.9126  0.4247 ?       ?         -0.47  -0.40  -0.03  0.00   
1 1 1 30 20 22 f 3.6252  0.8829 ?       ?         -0.11  -0.11  0.00   0.00   
1 1 1 30 20 23 o 6.8661  0.5350 ?       ?         -0.11  -0.85  -0.02  -0.01  
1 1 1 30 20 24 o 2.2762  1.2635 ?       ?         0.39   -0.21  0.00   -0.01  
1 1 1 30 21 0  o 67.072  0.4987 61.220  180.000   -2.02  0.00   0.00   0.00   
1 1 1 30 21 1  o 25.401  0.7728 22.963  44.600    5.24   21.18  4.90   -1.96  
1 1 1 30 21 2  f 54.760  0.8459 44.795  -44.1000  11.60  -2.39  -2.54  -0.01  
1 1 1 30 21 3  o 8.6021  0.4123 7.1256  -114.5000 2.50   0.87   -0.29  -0.19  
1 1 1 30 21 4  o 12.785  0.1288 10.416  -157.6000 -0.60  -1.53  0.48   -0.76  
1 1 1 30 21 5  o 9.1897  0.2760 7.6167  -178.3000 -3.47  2.36   -0.36  1.34   
1 1 1 30 21 6  o 21.233  0.2622 17.873  -135.6000 -2.55  -2.19  -0.40  -0.83  
1 1 1 30 21 7  o 5.8626  0.2025 2.7548  -5.9000   -0.15  -0.17  -0.00  -0.02  
1 1 1 30 21 8  o 11.844  0.1354 10.618  -62.1000  1.15   0.46   -0.26  -0.63  
1 1 1 30 21 9  o 10.935  0.6774 8.5857  -142.4000 -4.53  -6.97  0.52   -0.92  
1 1 1 30 21 10 o 13.988  0.2356 13.181  58.500    0.71   2.24   0.37   -0.53  
1 1 1 30 21 11 o 18.455  0.1412 19.861  30.700    1.72   -0.31  -0.30  0.97   
1 1 1 30 21 12 o 6.8893  0.2271 5.4802  15.200    1.09   0.56   -0.40  -0.16  
1 1 1 30 21 13 o 8.8809  0.6172 9.6174  56.300    -0.37  -0.39  0.00   -0.01  
1 1 1 30 21 14 o 9.1335  0.1943 7.8149  30.900    0.11   0.37   0.04   0.21   
1 1 1 30 21 15 o 2.7908  0.5431 3.8400  83.300    -0.15  -0.45  0.03   -0.06  
1 1 1 30 21 16 o 7.7106  0.2532 6.7870  94.600    -0.33  0.02   0.01   -0.07  
1 1 1 30 21 17 o 7.8077  0.2620 5.4865  -70.0000  0.84   -0.79  0.28   0.14   
1 1 1 30 21 18 o 5.4841  0.3602 5.5920  -179.7000 0.43   0.38   -0.12  0.09   
1 1 1 30 21 19 o 7.1035  0.7963 5.8009  162.300   -0.56  -0.29  -0.01  -0.00  
1 1 1 30 21 20 o 16.887  0.2719 17.112  63.300    0.58   0.23   -0.01  0.02   
1 1 1 30 21 21 o 5.8701  0.8233 ?       ?         0.12   0.55   0.01   0.01   
1 1 1 30 21 22 o 4.9843  0.6848 ?       ?         -0.17  -0.17  0.00   0.00   
1 1 1 30 21 23 o 9.8515  0.4543 ?       ?         -1.54  0.22   0.03   -0.05  
1 1 1 30 21 24 o 13.442  0.7344 ?       ?         -3.45  -3.32  0.15   0.08   
1 1 1 30 22 0  o 14.993  0.3741 6.9762  0.2000    -0.21  0.00   0.00   0.00   
1 1 1 30 22 1  o 14.462  0.3399 12.006  -120.4000 1.65   -0.34  -0.23  0.18   
1 1 1 30 22 2  o 19.128  0.9918 17.132  -48.0000  -7.44  3.44   -0.40  0.40   
1 1 1 30 22 3  o 23.610  0.1624 27.141  -104.0000 0.63   -0.52  -1.08  -0.47  
1 1 1 30 22 4  f 18.133  0.2688 20.674  56.000    1.07   2.05   0.36   -0.31  
1 1 1 30 22 5  f 6.0487  0.4751 5.3393  -5.9000   -2.69  -7.19  1.29   -1.00  
1 1 1 30 22 6  o 20.307  0.3296 18.820  -45.9000  -2.23  -4.60  0.57   -1.19  
1 1 1 30 22 7  o 14.296  0.1321 18.013  109.100   0.33   1.47   0.70   -1.15  
1 1 1 30 22 8  o 19.079  0.2033 22.280  54.500    3.77   -1.85  -0.37  2.68   
1 1 1 30 22 9  o 4.5756  0.3680 1.8766  2.4000    2.06   -1.04  -0.36  0.36   
1 1 1 30 22 10 o 18.166  0.3111 19.846  -60.2000  -0.57  -4.81  1.47   0.27   
1 1 1 30 22 11 o 8.4578  0.2074 7.2250  -118.0000 0.45   0.41   -0.04  -0.06  
1 1 1 30 22 12 o 15.588  0.1770 19.687  -133.5000 -1.85  0.61   0.03   0.79   
1 1 1 30 22 13 o 3.8962  0.3756 3.8533  -44.2000  0.02   0.46   0.12   0.21   
1 1 1 30 22 14 o 13.925  0.4045 12.392  -74.7000  2.05   -5.31  0.60   1.28   
1 1 1 30 22 15 o 15.204  0.1731 14.082  -66.2000  0.74   -1.72  0.45   -1.01  
1 1 1 30 22 16 o 2.0666  0.6615 2.3093  72.800    -0.24  -0.17  -0.06  -0.01  
1 1 1 30 22 17 o 3.1715  0.8503 3.7241  84.700    -0.21  0.39   0.00   0.02   
1 1 1 30 22 18 o 10.603  0.3807 11.644  42.700    1.06   -1.37  0.16   0.08   
1 1 1 30 22 19 o 3.7298  0.7295 4.1073  -65.8000  0.01   -0.33  0.01   -0.01  
1 1 1 30 22 20 o 3.8236  0.5684 4.1248  -5.4000   0.21   -0.10  -0.00  -0.01  
1 1 1 30 22 21 o 1.3929  1.1378 ?       ?         -0.06  -0.00  0.00   0.00   
1 1 1 30 22 22 f 10.282  0.4024 ?       ?         2.18   -0.36  0.14   -0.08  
1 1 1 30 22 23 o 6.1209  0.6326 ?       ?         -0.39  1.19   -0.03  0.03   
1 1 1 30 22 24 o 3.5133  1.0044 ?       ?         -0.05  0.12   -0.00  -0.00  
1 1 1 30 23 0  o 22.554  0.2694 21.185  -180.0000 -0.12  0.00   0.00   0.00   
1 1 1 30 23 1  o 19.070  0.2041 18.627  -64.2000  -0.52  -0.86  -0.24  -0.57  
1 1 1 30 23 2  o 13.687  0.2356 15.612  -112.4000 2.23   -3.08  -0.01  2.41   
1 1 1 30 23 3  o 15.598  0.9201 15.312  26.600    8.64   1.68   -0.62  -0.31  
1 1 1 30 23 4  o 14.976  0.5814 12.521  1.1000    10.99  0.19   -2.03  0.13   
1 1 1 30 23 5  o 11.588  0.3078 6.4229  -138.3000 -1.78  -4.67  1.09   -0.74  
1 1 1 30 23 6  o 27.433  0.1739 23.003  116.600   0.63   -1.29  0.80   -0.16  
1 1 1 30 23 7  o 14.887  0.2216 12.010  135.000   -3.62  1.50   -1.29  0.78   
1 1 1 30 23 8  o 9.3491  0.1538 9.4772  -19.4000  0.02   -0.08  -0.02  -0.05  
1 1 1 30 23 9  o 19.069  0.1460 19.274  -3.4000   0.69   -0.56  0.16   0.21   
1 1 1 30 23 10 o 3.5914  0.3466 3.0900  -99.3000  -0.79  -0.24  -0.07  -0.08  
1 1 1 30 23 11 o 4.3657  0.4009 3.8576  141.800   -1.20  0.87   -0.02  0.24   
1 1 1 30 23 12 o 13.259  0.1629 10.325  -138.3000 -0.32  0.10   -0.04  -0.08  
1 1 1 30 23 13 o 7.6799  0.3576 2.0543  -166.2000 -0.03  2.00   0.33   0.16   
1 1 1 30 23 14 o 3.0779  0.4995 1.8679  54.700    -0.24  -0.15  -0.02  -0.01  
1 1 1 30 23 15 o 13.284  0.4960 12.260  151.100   -1.27  -0.60  -0.01  -0.07  
1 1 1 30 23 16 o 6.2155  0.6314 6.4084  148.600   -1.79  -0.68  -0.15  -0.05  
1 1 1 30 23 17 o 7.1369  0.5637 6.5758  156.800   -0.09  0.92   0.04   -0.02  
1 1 1 30 23 18 o 9.6555  0.2552 9.6352  -36.0000  0.70   -0.81  -0.19  -0.02  
1 1 1 30 23 19 o 5.7778  0.4390 7.0553  -104.1000 -0.50  -0.13  0.00   0.05   
1 1 1 30 23 20 o 1.1658  0.9761 1.3368  -99.5000  -0.06  -0.14  0.00   0.01   
1 1 1 30 23 21 o 9.5865  0.4203 ?       ?         -0.64  -0.31  -0.01  0.02   
1 1 1 30 23 22 o 5.7285  0.6256 ?       ?         -0.02  -0.19  -0.00  -0.00  
1 1 1 30 23 23 o 7.5843  0.5803 ?       ?         1.09   -1.18  0.03   -0.04  
1 1 1 30 23 24 f 7.6775  0.5980 ?       ?         0.68   2.05   -0.04  0.02   
1 1 1 30 24 0  o 20.842  0.2863 14.394  -180.0000 -0.10  0.00   0.00   0.00   
1 1 1 30 24 1  o 4.4784  0.3749 4.1634  -42.6000  -0.77  -0.58  -0.02  -0.22  
1 1 1 30 24 2  o 17.175  0.4811 16.049  153.800   -2.61  0.80   -0.27  0.11   
1 1 1 30 24 3  o 18.288  0.3726 15.858  120.700   0.67   -2.60  0.29   0.28   
1 1 1 30 24 4  o 13.241  0.1309 14.624  -61.2000  0.31   1.29   0.60   -1.04  
1 1 1 30 24 5  o 29.503  0.2407 28.278  -102.7000 0.77   -0.55  0.03   0.09   
1 1 1 30 24 6  o 13.163  0.3062 9.8414  167.800   -3.83  3.32   0.02   1.30   
1 1 1 30 24 7  o 12.734  0.4359 8.2142  80.500    -4.79  5.76   0.67   1.81   
1 1 1 30 24 8  o 14.409  0.1526 16.603  -28.8000  0.11   0.82   0.37   0.36   
1 1 1 30 24 9  o 8.5185  0.2096 5.7953  -28.4000  1.28   -0.56  -0.24  0.14   
1 1 1 30 24 10 o 17.821  0.3185 15.812  -127.5000 -1.86  -1.21  0.01   -0.29  
1 1 1 30 24 11 o 10.779  0.1639 8.7895  7.1000    0.69   0.53   0.56   -0.22  
1 1 1 30 24 12 f 6.0135  0.2617 5.8230  -121.0000 -0.09  -0.77  0.16   -0.26  
1 1 1 30 24 13 o 4.7946  0.3196 6.2927  -169.2000 0.10   0.49   0.03   -0.04  
1 1 1 30 24 14 o 11.628  0.1788 12.488  -26.9000  -0.18  -0.68  -0.03  -0.19  
1 1 1 30 24 15 o 13.549  0.2867 12.370  -163.8000 1.25   -0.16  -0.06  0.13   
1 1 1 30 24 16 o 10.282  0.2807 10.231  -46.1000  0.99   -1.42  -0.19  0.28   
1 1 1 30 24 17 f 9.0853  0.3456 9.3133  -133.9000 -0.29  -1.14  0.11   0.05   
1 1 1 30 24 18 o 5.0757  0.3902 5.7011  -97.2000  -0.20  -0.44  -0.09  0.07   
1 1 1 30 24 19 o 12.156  0.2466 11.470  82.300    -0.90  1.70   0.20   -0.25  
1 1 1 30 24 20 o 8.1160  0.3159 ?       ?         -0.96  -0.86  0.16   0.23   
1 1 1 30 24 21 o 7.8580  0.4586 ?       ?         0.49   -0.29  -0.00  -0.01  
1 1 1 30 24 22 o 4.1405  1.8504 ?       ?         -0.02  0.53   -0.00  0.02   
1 1 1 30 24 23 o 7.0855  0.5570 ?       ?         -0.56  -0.72  0.00   0.01   
1 1 1 30 24 24 o 0.0000  2.6191 ?       ?         -0.20  0.19   -0.00  -0.00  
1 1 1 30 25 0  o 5.9414  0.5240 0.0399  -26.1000  -0.09  0.00   0.00   0.00   
1 1 1 30 25 1  o 22.149  0.3982 22.522  112.700   2.13   5.47   0.87   -1.64  
1 1 1 30 25 2  o 6.8017  0.3385 5.5806  103.500   -2.47  0.72   -1.01  0.31   
1 1 1 30 25 3  o 7.7946  0.2663 8.3062  -5.2000   0.15   -0.98  0.67   -0.15  
1 1 1 30 25 4  o 20.724  0.2842 20.439  71.000    3.29   0.85   -1.12  -0.06  
1 1 1 30 25 5  o 15.010  0.4696 13.399  36.200    2.63   6.69   1.08   -0.75  
1 1 1 30 25 6  o 13.284  0.2589 10.577  -163.3000 -2.70  -3.73  0.97   -1.48  
1 1 1 30 25 7  o 10.843  0.1459 10.306  -5.6000   0.21   -0.48  0.30   -0.02  
1 1 1 30 25 8  f 8.9320  0.3105 6.7670  82.500    -2.02  -1.77  0.03   -0.49  
1 1 1 30 25 9  o 13.105  0.4414 11.834  -15.7000  3.94   6.13   0.92   -1.25  
1 1 1 30 25 10 o 22.772  0.1718 22.146  -34.9000  2.99   -0.26  -0.99  -1.10  
1 1 1 30 25 11 o 10.025  0.2899 11.473  146.400   0.75   4.44   1.31   -1.27  
1 1 1 30 25 12 o 4.5942  0.3251 3.0715  -96.3000  0.38   -0.34  0.05   0.09   
1 1 1 30 25 13 o 17.217  0.1935 15.930  140.200   -2.38  0.85   -0.88  -0.19  
1 1 1 30 25 14 o 7.9257  0.2449 8.3530  -141.4000 0.21   0.25   0.06   0.03   
1 1 1 30 25 15 o 5.4426  0.3458 5.3917  95.600    0.06   0.45   -0.08  -0.13  
1 1 1 30 25 16 o 8.5923  0.2656 8.8169  -51.6000  0.45   -0.82  -0.33  0.06   
1 1 1 30 25 17 o 11.430  0.2174 12.765  -149.5000 -1.26  0.11   0.44   -0.06  
1 1 1 30 25 18 o 8.8211  0.3078 8.8432  2.7000    -0.65  -0.52  0.06   -0.02  
1 1 1 30 25 19 o 4.6428  0.5103 4.7151  -66.9000  0.05   -0.47  -0.04  0.01   
1 1 1 30 25 20 o 5.0380  0.5957 ?       ?         -0.24  -0.24  0.01   0.01   
1 1 1 30 25 21 o 2.7778  0.9719 ?       ?         -0.36  -0.40  -0.02  0.02   
1 1 1 30 25 22 o 1.0453  1.1822 ?       ?         0.06   -0.22  -0.00  -0.01  
1 1 1 30 25 23 o 7.5275  0.5403 ?       ?         2.69   -0.79  0.04   -0.09  
1 1 1 30 26 0  f 11.180  0.4345 15.681  179.900   0.35   0.00   0.00   0.00   
1 1 1 30 26 1  o 1.2182  0.8990 6.4239  150.800   -0.15  0.19   -0.01  0.07   
1 1 1 30 26 2  o 1.7388  0.8359 8.7231  -80.9000  -0.18  -0.45  0.25   -0.09  
1 1 1 30 26 3  o 6.0659  0.3304 4.7490  76.200    -0.11  -0.34  0.05   -0.01  
1 1 1 30 26 4  o 22.247  0.5818 18.896  -106.1000 0.44   -7.07  1.03   0.38   
1 1 1 30 26 5  o 8.4882  0.7019 9.1115  38.100    8.56   7.86   -0.26  -1.67  
1 1 1 30 26 6  o 8.5851  0.1274 9.5158  -99.0000  0.04   0.04   -0.01  0.03   
1 1 1 30 26 7  o 24.792  0.1859 24.886  -61.2000  -1.23  -3.97  0.34   -2.80  
1 1 1 30 26 8  o 16.927  0.1471 15.080  -78.9000  -0.34  -0.93  0.03   -0.21  
1 1 1 30 26 9  o 10.264  0.1688 7.9378  174.800   -0.23  -0.20  -0.06  -0.03  
1 1 1 30 26 10 o 10.247  0.3016 11.361  43.800    0.87   2.17   0.44   -0.15  
1 1 1 30 26 11 o 13.259  0.1758 10.666  19.000    -0.21  0.58   0.13   -0.09  
1 1 1 30 26 12 o 15.170  0.2759 15.573  -1.6000   2.65   3.67   1.51   -0.96  
1 1 1 30 26 13 f 6.4486  0.3303 6.2456  -120.3000 -1.05  -0.03  -0.11  0.05   
1 1 1 30 26 14 o 13.497  0.1792 11.886  173.400   0.66   0.66   0.18   -0.03  
1 1 1 30 26 15 o 2.3864  0.5993 0.8978  104.700   -0.07  0.15   0.00   -0.04  
1 1 1 30 26 16 o 10.795  0.3089 11.022  146.900   -3.55  -0.64  -0.10  -1.14  
1 1 1 30 26 17 o 6.5267  0.3222 8.4279  -81.4000  -0.15  -0.57  0.04   0.04   
1 1 1 30 26 18 o 6.3994  0.3903 6.9063  -177.2000 -0.36  0.00   0.02   0.02   
1 1 1 30 26 19 o 4.2829  0.6290 3.1023  -162.4000 -0.58  0.57   -0.05  0.02   
1 1 1 30 26 20 o 13.758  0.3184 ?       ?         -0.19  -0.87  -0.03  -0.00  
1 1 1 30 26 21 o 9.4857  0.4364 ?       ?         -0.09  0.65   -0.01  0.01   
1 1 1 30 26 22 o 3.3630  1.0492 ?       ?         -0.83  0.29   0.05   0.02   
1 1 1 30 26 23 o 4.9107  0.7724 ?       ?         -0.12  0.22   -0.00  -0.00  
1 1 1 30 27 0  o 19.097  0.3496 14.972  -0.0000   0.04   0.00   0.00   0.00   
1 1 1 30 27 1  o 20.392  0.3280 19.118  85.300    0.82   3.03   0.41   -0.51  
1 1 1 30 27 2  o 22.094  0.1931 20.864  137.900   0.22   0.39   -0.25  0.22   
1 1 1 30 27 3  o 20.633  0.3699 21.742  -140.5000 0.37   1.26   0.05   -0.09  
1 1 1 30 27 4  o 6.9473  0.2913 5.7019  52.400    -0.85  1.32   0.06   0.29   
1 1 1 30 27 5  o 12.398  0.4628 10.312  150.800   -1.64  3.65   0.25   0.40   
1 1 1 30 27 6  o 10.145  0.1083 9.0709  113.000   -0.64  0.12   -0.44  -0.20  
1 1 1 30 27 7  o 26.038  0.1530 25.796  112.200   -1.12  1.28   -0.53  -1.80  
1 1 1 30 27 8  o 4.5867  0.2987 2.1314  174.100   -0.74  1.57   0.30   0.23   
1 1 1 30 27 9  o 17.212  0.3791 14.947  64.500    2.71   0.95   -0.14  -0.35  
1 1 1 30 27 10 o 12.900  0.1646 10.413  145.700   0.43   -0.02  0.03   0.12   
1 1 1 30 27 11 o 7.5170  0.2182 6.2984  -8.0000   1.07   0.42   -0.04  -0.32  
1 1 1 30 27 12 o 28.258  0.3798 28.816  -132.0000 -1.24  -0.89  -0.10  -0.03  
1 1 1 30 27 13 o 11.735  0.1862 12.147  177.900   -1.41  0.00   -0.25  0.36   
1 1 1 30 27 14 o 11.332  0.2059 10.793  126.200   -0.24  -0.68  -0.12  -0.11  
1 1 1 30 27 15 o 8.1994  0.2494 8.3192  -173.0000 -1.15  -0.13  -0.10  0.37   
1 1 1 30 27 16 o 5.4637  0.3419 4.0547  116.900   -0.06  0.44   -0.12  -0.02  
1 1 1 30 27 17 o 6.8930  0.3765 7.3718  4.3000    1.04   -0.90  0.13   0.11   
1 1 1 30 27 18 o 5.2233  0.4318 4.1906  -136.0000 -0.09  -0.84  -0.18  -0.02  
1 1 1 30 27 19 o 11.297  0.2618 12.109  4.2000    1.44   0.95   -0.11  0.25   
1 1 1 30 27 20 o 4.8049  0.6673 ?       ?         0.28   0.08   0.00   -0.00  
1 1 1 30 27 21 o 4.0400  0.7642 ?       ?         0.20   0.54   -0.01  0.00   
1 1 1 30 27 22 o 2.6038  1.2710 ?       ?         0.04   0.10   -0.00  0.00   
1 1 1 30 27 23 o 5.1055  0.7292 ?       ?         0.25   0.54   -0.01  0.00   
1 1 1 30 28 0  o 5.4772  0.6488 2.0573  -179.8000 0.18   0.00   0.00   0.00   
1 1 1 30 28 1  o 26.991  0.3104 23.503  -72.8000  -1.39  -3.49  0.02   -1.24  
1 1 1 30 28 2  o 20.681  0.2834 23.818  -80.4000  2.23   -0.89  -0.67  0.03   
1 1 1 30 28 3  o 5.2503  0.4294 3.4756  -25.8000  -0.28  1.25   0.26   0.32   
1 1 1 30 28 4  o 17.693  0.2069 18.365  -121.5000 -0.07  -0.90  -1.05  0.06   
1 1 1 30 28 5  o 29.356  0.3747 26.695  -175.2000 -4.36  1.95   -0.14  1.09   
1 1 1 30 28 6  o 16.958  0.1372 16.899  82.700    -0.73  0.58   0.16   0.21   
1 1 1 30 28 7  o 16.483  0.1929 14.277  78.800    -0.45  2.61   0.55   0.62   
1 1 1 30 28 8  o 17.620  0.4123 16.698  108.100   1.39   9.41   2.30   -1.66  
1 1 1 30 28 9  o 16.495  0.1442 15.316  -56.9000  -0.08  0.93   -0.50  0.29   
1 1 1 30 28 10 o 6.3255  0.2276 7.5490  77.500    0.72   -0.33  0.03   0.31   
1 1 1 30 28 11 o 17.285  0.3110 16.500  109.300   -2.60  3.11   0.78   0.69   
1 1 1 30 28 12 o 12.516  0.4466 12.475  135.000   -3.66  1.19   -0.46  0.12   
1 1 1 30 28 13 o 0.0000  1.6046 ?       ?         -0.10  0.04   -0.00  0.01   
1 1 1 30 28 14 o 9.8984  0.2086 10.640  89.700    0.15   -0.25  -0.03  -0.00  
1 1 1 30 28 15 o 7.5581  0.2685 8.4072  -15.0000  0.38   0.03   0.02   -0.05  
1 1 1 30 28 16 o 3.3838  0.6394 3.7282  7.3000    -0.29  -0.46  -0.02  -0.04  
1 1 1 30 28 17 o 18.242  0.2129 18.619  -24.0000  -0.69  -0.37  -0.00  0.04   
1 1 1 30 28 18 o 7.0100  0.3606 7.0011  160.900   -0.11  0.77   -0.02  -0.08  
1 1 1 30 28 19 o 4.3831  0.8669 ?       ?         -0.25  0.49   -0.01  0.01   
1 1 1 30 28 20 o 5.8198  0.5972 ?       ?         0.09   -0.40  -0.01  -0.00  
1 1 1 30 28 21 o 0.0000  2.3076 ?       ?         0.11   0.29   -0.02  0.01   
1 1 1 30 28 22 o 5.2908  0.6916 ?       ?         0.11   -0.07  -0.00  -0.00  
1 1 1 30 28 23 o 2.1129  1.2146 ?       ?         -0.41  -0.13  0.00   0.01   
1 1 1 30 29 0  o 6.2769  0.5138 5.1149  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 30 29 1  o 5.2756  0.9615 4.6489  170.000   0.02   1.89   0.14   0.02   
1 1 1 30 29 2  o 13.801  0.2425 17.014  -159.2000 -1.18  0.10   -0.19  -0.08  
1 1 1 30 29 3  o 15.679  0.2184 15.719  161.300   -0.25  -0.71  0.16   0.04   
1 1 1 30 29 4  o 6.2975  0.4254 6.0120  -173.5000 -2.46  -0.63  -0.64  -0.13  
1 1 1 30 29 5  o 1.4454  0.6878 3.2672  -77.6000  -0.07  0.26   0.03   0.01   
1 1 1 30 29 6  o 16.195  0.1690 18.008  142.800   0.82   0.02   -0.08  -0.05  
1 1 1 30 29 7  o 14.416  0.1274 14.265  -5.8000   0.36   0.14   0.22   0.00   
1 1 1 30 29 8  o 7.4120  0.1694 8.8010  -139.5000 0.04   -0.28  0.01   0.05   
1 1 1 30 29 9  o 2.5221  0.6104 2.1902  127.200   -0.45  1.16   0.15   0.09   
1 1 1 30 29 10 f 9.6498  0.2002 7.9555  89.300    -0.24  1.45   0.34   -0.11  
1 1 1 30 29 11 o 3.0284  0.4382 2.9159  92.800    0.26   -0.08  -0.00  0.06   
1 1 1 30 29 12 o 10.345  0.1873 10.767  -124.5000 -1.12  -0.51  0.10   -0.38  
1 1 1 30 29 13 o 6.8031  0.4279 5.6488  -156.1000 -0.18  -0.38  0.00   -0.01  
1 1 1 30 29 14 o 10.645  0.2107 9.2029  -115.6000 0.35   -0.12  0.00   -0.05  
1 1 1 30 29 15 o 8.4054  0.2535 9.4819  12.900    0.35   -0.15  0.04   -0.04  
1 1 1 30 29 16 o 6.3210  0.3287 6.3926  67.900    -0.14  0.53   0.01   -0.07  
1 1 1 30 29 17 o 4.3184  0.6229 3.4614  -42.9000  0.26   -0.76  0.05   -0.02  
1 1 1 30 29 18 o 5.6029  0.5137 5.8725  -0.6000   0.37   -0.70  -0.03  0.03   
1 1 1 30 29 19 o 3.4932  0.7788 ?       ?         0.19   0.46   -0.03  0.01   
1 1 1 30 29 20 o 9.9761  0.3892 ?       ?         2.06   -1.35  0.13   -0.10  
1 1 1 30 29 21 o 5.1183  0.6680 ?       ?         0.11   -0.20  0.00   -0.00  
1 1 1 30 29 22 o 3.5563  1.6446 ?       ?         0.17   -0.09  -0.00  -0.00  
1 1 1 30 30 0  o 24.298  0.5374 21.519  -179.9000 -0.49  0.00   0.00   0.00   
1 1 1 30 30 1  f 7.7974  0.4879 2.4973  90.400    0.00   0.03   0.00   0.00   
1 1 1 30 30 2  f 11.411  0.3196 13.846  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 30 30 3  o 8.7920  0.4228 5.6402  -89.9000  -0.00  -0.16  0.00   0.00   
1 1 1 30 30 4  o 8.5381  0.4763 9.9790  -179.9000 0.37   0.00   0.00   0.00   
1 1 1 30 30 5  o 5.0299  0.2997 1.5233  -90.2000  -0.00  -0.18  0.00   0.00   
1 1 1 30 30 6  o 7.2801  0.2457 6.9998  0.0000    0.01   0.00   0.00   0.00   
1 1 1 30 30 7  o 4.7329  0.2789 5.5556  -90.0000  0.00   0.27   0.00   0.00   
1 1 1 30 30 8  o 11.546  0.2042 11.997  -180.0000 -0.29  0.00   0.00   0.00   
1 1 1 30 30 9  o 5.7009  0.3153 7.8898  -90.0000  0.00   0.02   0.00   0.00   
1 1 1 30 30 10 o 3.7683  0.4894 2.7521  180.000   -0.06  0.00   0.00   0.00   
1 1 1 30 30 11 o 6.4498  0.3384 7.5239  90.000    0.00   0.24   0.00   0.00   
1 1 1 30 30 12 o 13.777  0.2460 13.637  180.000   -0.83  0.00   0.00   0.00   
1 1 1 30 30 13 o 14.450  0.2683 16.409  90.000    0.00   0.82   0.00   0.00   
1 1 1 30 30 14 o 3.0000  0.7106 1.9047  180.000   -0.15  0.00   0.00   0.00   
1 1 1 30 30 15 f 14.744  0.2566 15.772  -90.0000  -0.00  -0.60  0.00   0.00   
1 1 1 30 30 16 o 2.5690  0.8530 2.5220  0.0000    0.06   0.00   0.00   0.00   
1 1 1 30 30 17 o 2.4900  0.9184 1.6685  -90.0000  0.00   0.14   0.00   0.00   
1 1 1 30 30 18 o 0.0000  2.6268 0.9726  0.0000    0.06   0.00   0.00   0.00   
1 1 1 30 30 19 o 12.558  0.4532 ?       ?         -0.00  -1.69  0.00   0.00   
1 1 1 30 30 20 o 6.9282  0.6982 ?       ?         0.64   0.00   0.00   0.00   
1 1 1 30 30 21 o 11.428  0.5225 ?       ?         -0.00  -1.15  0.00   0.00   
1 1 1 30 30 22 o 3.3912  1.2173 ?       ?         0.26   0.00   0.00   0.00   
1 1 1 31 0  1  o 26.870  0.1958 10.374  -135.1000 -0.19  -0.19  0.00   0.00   
1 1 1 31 0  2  o 10.512  0.1639 7.1125  180.000   -0.06  0.00   0.00   0.00   
1 1 1 31 0  3  o 9.1104  0.2509 12.180  135.000   0.09   -0.09  0.00   0.00   
1 1 1 31 0  4  o 30.289  0.2667 36.325  -89.9000  0.00   0.10   0.00   0.00   
1 1 1 31 0  5  o 44.497  0.3290 31.212  -135.1000 0.24   0.24   0.00   0.00   
1 1 1 31 0  6  o 3.2711  0.4290 2.5950  0.2000    -0.00  0.00   0.00   0.00   
1 1 1 31 0  7  o 5.6569  0.3017 0.0466  128.200   -0.03  0.03   0.00   0.00   
1 1 1 31 0  8  o 16.541  0.2266 19.942  89.800    -0.00  -0.06  0.00   0.00   
1 1 1 31 0  9  o 6.0332  0.3072 6.4704  -135.4000 -0.00  -0.00  0.00   0.00   
1 1 1 31 0  10 o 3.1464  0.5014 6.0623  179.900   -0.01  0.00   0.00   0.00   
1 1 1 31 0  11 o 10.178  0.2493 10.503  135.100   -0.08  0.08   0.00   0.00   
1 1 1 31 0  12 o 28.373  0.2740 23.131  -89.9000  0.00   0.35   0.00   0.00   
1 1 1 31 0  13 o 16.426  0.2754 13.726  -135.1000 0.14   0.14   0.00   0.00   
1 1 1 31 0  14 o 24.017  0.2411 20.144  180.000   0.01   0.00   0.00   0.00   
1 1 1 31 0  15 o 3.4205  0.5480 5.2807  135.000   -0.01  0.01   0.00   0.00   
1 1 1 31 0  16 o 25.739  0.2539 25.713  -90.0000  -0.00  -1.10  0.00   0.00   
1 1 1 31 0  17 o 9.3167  0.3064 10.718  -135.0000 0.06   0.06   0.00   0.00   
1 1 1 31 0  18 o 2.6458  0.7977 0.6653  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 31 0  19 o 17.387  0.2550 15.691  -45.0000  0.59   -0.59  0.00   0.00   
1 1 1 31 0  20 o 4.0866  0.6833 5.3958  -90.0000  -0.00  -0.03  0.00   0.00   
1 1 1 31 0  21 o 6.3325  0.4829 7.9083  45.000    -0.26  -0.26  0.00   0.00   
1 1 1 31 0  22 o 3.7417  0.7811 4.1723  -0.0000   -0.08  0.00   0.00   0.00   
1 1 1 31 0  23 o 5.1478  0.7477 ?       ?         0.12   -0.12  0.00   0.00   
1 1 1 31 0  24 o 5.1284  1.1145 ?       ?         0.00   0.26   0.00   0.00   
1 1 1 31 1  0  o 9.5603  0.2198 2.2627  0.4000    -0.11  0.00   0.00   0.00   
1 1 1 31 1  1  o 13.540  0.1852 13.144  50.900    -2.46  1.87   -0.98  2.00   
1 1 1 31 1  2  o 20.740  0.2895 13.844  73.400    4.39   3.45   -1.37  -2.95  
1 1 1 31 1  3  o 36.617  0.2940 35.445  -179.8000 -0.86  3.23   1.14   0.19   
1 1 1 31 1  4  o 15.593  0.2086 14.768  176.000   -0.82  -0.13  -0.11  -0.02  
1 1 1 31 1  5  o 11.323  0.1415 12.675  177.400   -0.08  0.07   0.30   -0.34  
1 1 1 31 1  6  f 17.251  0.2432 18.874  172.800   -0.30  0.69   0.06   0.05   
1 1 1 31 1  7  o 22.866  0.5242 19.833  -133.0000 -9.44  -2.47  -2.14  -0.94  
1 1 1 31 1  8  o 23.260  0.3225 27.148  -25.6000  0.39   -1.36  0.18   0.05   
1 1 1 31 1  9  o 15.631  0.1420 13.534  100.200   -0.04  -0.35  -0.22  1.25   
1 1 1 31 1  10 o 29.763  0.3026 29.400  123.500   2.13   2.35   0.45   -0.83  
1 1 1 31 1  11 f 28.436  0.2233 24.521  56.400    -0.11  1.11   0.17   -0.05  
1 1 1 31 1  12 o 8.7035  0.2409 10.903  84.900    0.32   0.93   0.09   -0.10  
1 1 1 31 1  13 o 26.554  0.1593 25.938  -145.1000 -0.08  0.91   0.06   0.41   
1 1 1 31 1  14 o 9.0049  0.3119 6.8266  163.000   -0.70  1.25   0.06   0.19   
1 1 1 31 1  15 o 12.610  0.2143 14.276  125.700   -1.50  0.09   -0.38  -0.23  
1 1 1 31 1  16 o 7.0413  0.2537 7.7153  95.200    -0.12  0.09   -0.03  0.00   
1 1 1 31 1  17 o 2.8185  0.5032 3.9738  -177.3000 0.15   0.10   0.03   -0.04  
1 1 1 31 1  18 o 9.1642  0.2635 10.483  160.800   -2.27  -0.21  -0.78  0.49   
1 1 1 31 1  19 o 10.667  0.2943 9.1933  167.700   -0.07  0.90   0.06   0.08   
1 1 1 31 1  20 o 7.1790  0.6074 7.5113  -119.2000 0.29   0.79   0.01   -0.03  
1 1 1 31 1  21 o 9.5558  0.2660 8.8959  137.900   -1.21  0.92   0.28   0.15   
1 1 1 31 1  22 o 3.1529  0.6195 4.0401  50.000    -0.22  0.02   0.03   -0.00  
1 1 1 31 1  23 o 3.0443  1.0196 ?       ?         -0.24  -0.00  -0.00  0.01   
1 1 1 31 1  24 o 5.3694  0.6498 ?       ?         -0.16  0.14   0.00   -0.00  
1 1 1 31 2  0  o 7.6223  0.1857 3.8014  -1.2000   -0.02  0.00   0.00   0.00   
1 1 1 31 2  1  o 9.8937  0.1704 10.046  177.100   -2.94  0.11   -2.44  -0.17  
1 1 1 31 2  2  o 11.534  0.1334 6.5441  -34.1000  1.01   1.06   -0.18  -1.01  
1 1 1 31 2  3  o 30.299  0.1852 28.723  89.300    -1.92  0.04   -0.78  0.40   
1 1 1 31 2  4  o 6.8454  0.3497 2.9011  100.100   4.30   -0.13  -1.21  0.13   
1 1 1 31 2  5  o 33.546  0.6608 33.313  -37.9000  8.58   -3.79  -1.32  1.10   
1 1 1 31 2  6  o 22.075  0.1422 18.385  59.100    -0.58  0.42   -1.00  0.19   
1 1 1 31 2  7  o 12.693  0.3133 15.662  -165.0000 -3.98  5.77   0.86   2.98   
1 1 1 31 2  8  o 51.999  0.5982 44.157  18.800    2.95   0.13   -0.26  -0.15  
1 1 1 31 2  9  o 37.066  0.2212 34.756  -154.8000 1.08   -1.59  0.51   0.36   
1 1 1 31 2  10 o 35.838  0.4722 32.486  -37.2000  1.49   -4.91  1.03   0.28   
1 1 1 31 2  11 o 7.4861  0.4449 4.6902  -110.1000 0.21   -3.32  0.54   0.12   
1 1 1 31 2  12 o 11.999  0.3944 11.903  1.1000    2.48   1.15   -0.17  -0.25  
1 1 1 31 2  13 o 23.207  0.3528 21.862  -19.5000  3.47   1.03   -0.85  -0.17  
1 1 1 31 2  14 o 16.186  0.1618 17.938  -122.7000 -0.49  -0.31  0.01   0.82   
1 1 1 31 2  15 o 10.876  0.2990 11.167  -147.2000 -0.08  0.37   0.02   -0.00  
1 1 1 31 2  16 o 10.505  0.2023 8.6824  76.100    -0.44  1.11   0.59   -0.06  
1 1 1 31 2  17 o 10.318  0.2041 10.438  91.900    -0.15  0.78   0.21   -0.09  
1 1 1 31 2  18 o 10.588  0.3164 10.935  -130.5000 -2.33  -0.82  -0.74  0.02   
1 1 1 31 2  19 o 10.161  0.3812 10.966  -141.6000 -2.26  -1.19  -0.51  -0.16  
1 1 1 31 2  20 o 13.923  0.2019 13.674  -84.3000  0.85   -0.69  0.27   -0.16  
1 1 1 31 2  21 o 5.0165  0.5124 5.6019  -79.8000  0.22   -0.48  0.03   0.00   
1 1 1 31 2  22 o 2.8824  0.6680 3.3300  70.500    0.03   0.25   -0.01  0.03   
1 1 1 31 2  23 o 3.1460  0.7850 ?       ?         0.15   -0.07  0.01   -0.00  
1 1 1 31 2  24 o 9.2355  0.4272 ?       ?         -0.63  -0.41  0.01   0.03   
1 1 1 31 2  25 o 6.4730  1.1125 ?       ?         -0.08  -0.01  0.00   0.00   
1 1 1 31 3  0  o 21.751  0.2365 28.299  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 31 3  1  o 22.073  0.1524 25.993  160.600   -0.34  0.06   -0.03  0.03   
1 1 1 31 3  2  o 44.385  0.6985 39.427  -144.2000 -4.58  -8.37  1.53   -1.49  
1 1 1 31 3  3  o 21.666  0.1633 21.902  117.200   2.22   2.21   -0.80  -2.51  
1 1 1 31 3  4  o 14.729  0.1539 18.058  71.300    0.93   -0.42  -1.22  0.48   
1 1 1 31 3  5  o 8.7473  0.2841 7.7512  -23.6000  1.77   -2.68  0.36   1.13   
1 1 1 31 3  6  o 25.029  0.1543 25.474  -17.5000  0.49   -0.59  0.14   0.17   
1 1 1 31 3  7  o 16.460  0.2829 20.731  -110.1000 -0.92  -3.37  0.77   -0.60  
1 1 1 31 3  8  o 16.589  0.4680 16.126  -166.7000 -6.20  -1.49  -1.23  -0.82  
1 1 1 31 3  9  o 38.218  0.2027 33.433  0.4000    0.61   -2.32  1.70   -0.63  
1 1 1 31 3  10 o 13.497  0.2460 8.5058  23.700    2.45   3.20   0.98   -1.92  
1 1 1 31 3  11 o 9.1203  0.2089 10.883  -68.1000  -0.46  -1.47  0.30   -0.31  
1 1 1 31 3  12 o 6.5194  0.5873 7.3840  118.900   0.16   5.28   0.81   0.00   
1 1 1 31 3  13 o 19.461  0.2551 16.862  -157.8000 -1.23  -2.80  1.03   -0.40  
1 1 1 31 3  14 f 23.206  0.3008 23.259  -11.2000  2.57   -1.20  -0.13  0.54   
1 1 1 31 3  15 o 16.402  0.1640 19.810  -174.5000 -0.63  -1.54  0.89   0.41   
1 1 1 31 3  16 o 14.315  0.1717 11.697  152.900   -0.46  0.30   0.03   0.07   
1 1 1 31 3  17 o 6.3155  0.2884 4.5794  -48.4000  -0.57  0.16   -0.05  0.10   
1 1 1 31 3  18 o 13.633  0.1862 12.001  -51.2000  -0.31  0.00   0.07   0.00   
1 1 1 31 3  19 o 3.6929  0.5664 5.2965  131.600   0.43   0.16   -0.03  -0.00  
1 1 1 31 3  20 o 2.9044  0.6722 2.6694  98.300    -0.09  -0.13  0.01   -0.00  
1 1 1 31 3  21 o 12.664  0.6917 13.023  -58.2000  0.81   -1.16  0.04   0.03   
1 1 1 31 3  22 o 11.347  0.4997 10.733  -148.1000 0.10   -4.47  0.48   0.53   
1 1 1 31 3  23 o 4.7326  0.6653 ?       ?         0.14   0.35   -0.01  -0.01  
1 1 1 31 3  24 o 3.9254  0.8269 ?       ?         -0.26  -0.26  0.01   0.00   
1 1 1 31 3  25 o 5.7965  1.4406 ?       ?         0.12   -0.01  0.00   0.00   
1 1 1 31 4  0  f 8.1915  0.2083 4.6482  0.8000    0.02   0.00   0.00   0.00   
1 1 1 31 4  1  o 29.714  0.2504 31.229  96.400    -4.45  2.61   -3.17  2.65   
1 1 1 31 4  2  o 36.941  0.6131 32.532  57.200    -0.34  10.81  3.02   0.77   
1 1 1 31 4  3  o 4.1975  0.2020 4.4073  8.9000    0.33   -0.80  0.25   0.31   
1 1 1 31 4  4  o 13.464  0.4371 16.698  -1.5000   6.12   1.42   -1.29  -0.75  
1 1 1 31 4  5  o 38.862  0.1795 38.780  -97.8000  1.75   -1.59  -3.67  1.04   
1 1 1 31 4  6  o 22.151  0.1669 22.942  168.500   -0.67  2.18   6.41   -1.90  
1 1 1 31 4  7  f 33.911  0.1746 23.352  123.400   -0.11  0.59   0.07   0.11   
1 1 1 31 4  8  o 33.535  0.1916 31.625  -107.1000 3.10   0.13   -2.09  1.55   
1 1 1 31 4  9  o 32.368  0.1666 28.430  22.900    -0.11  0.55   0.21   -0.26  
1 1 1 31 4  10 o 11.941  0.2302 13.100  80.900    1.52   -0.16  -0.31  0.13   
1 1 1 31 4  11 o 5.1487  0.2676 3.0475  179.700   0.20   0.05   0.06   -0.50  
1 1 1 31 4  12 o 14.349  0.6647 10.915  -115.8000 2.93   -8.80  0.97   0.86   
1 1 1 31 4  13 o 9.7280  0.3216 7.3044  -74.9000  0.16   0.19   0.00   -0.00  
1 1 1 31 4  14 o 9.1255  0.2110 5.1300  -87.7000  2.37   0.72   -0.96  -1.70  
1 1 1 31 4  15 o 17.014  0.3364 17.137  -4.8000   1.73   -0.78  -0.28  0.07   
1 1 1 31 4  16 o 4.6087  0.5550 2.0499  179.700   -0.19  -1.69  0.19   -0.09  
1 1 1 31 4  17 o 13.188  0.2065 10.312  -16.7000  0.47   -0.33  -0.19  -0.03  
1 1 1 31 4  18 o 5.4211  0.8356 5.1910  94.800    -1.33  2.38   0.19   0.19   
1 1 1 31 4  19 o 7.8953  0.2717 8.3542  152.400   -0.53  0.01   0.01   -0.16  
1 1 1 31 4  20 o 7.8642  0.2881 6.4140  71.400    -0.14  0.65   0.07   -0.10  
1 1 1 31 4  21 o 8.2523  0.2925 8.4338  42.900    0.11   0.75   -0.21  0.08   
1 1 1 31 4  22 o 4.2183  1.1759 5.3105  153.700   -0.23  -0.12  -0.00  -0.00  
1 1 1 31 4  23 f 8.4382  0.3974 ?       ?         -1.31  0.65   -0.13  -0.08  
1 1 1 31 4  24 o 9.1754  0.7208 ?       ?         0.81   -1.19  -0.06  0.02   
1 1 1 31 4  25 o 5.3666  1.5015 ?       ?         0.05   0.29   0.00   0.00   
1 1 1 31 5  0  o 15.313  0.2442 18.609  179.900   -0.06  0.00   0.00   0.00   
1 1 1 31 5  1  o 37.900  0.7363 32.912  -51.4000  4.50   -9.77  1.72   1.43   
1 1 1 31 5  2  o 18.490  0.1535 15.361  -74.0000  3.11   -0.36  -2.82  -0.09  
1 1 1 31 5  3  o 15.276  0.2608 20.845  42.700    -0.32  -3.77  1.47   -0.46  
1 1 1 31 5  4  o 33.796  0.1803 24.913  140.000   -0.37  0.09   0.02   0.19   
1 1 1 31 5  5  o 16.193  0.3954 16.826  10.100    5.25   -0.62  -1.54  0.18   
1 1 1 31 5  6  o 32.299  0.5180 31.381  40.400    2.03   1.57   -0.11  -0.21  
1 1 1 31 5  7  o 27.304  0.1771 24.126  23.300    2.11   -2.25  0.78   1.83   
1 1 1 31 5  8  o 15.964  0.1435 10.037  -58.6000  -0.67  -0.46  0.02   -0.34  
1 1 1 31 5  9  o 19.459  0.1891 21.342  166.000   -0.89  -0.73  -0.13  -0.24  
1 1 1 31 5  10 o 6.2627  0.2554 4.1670  75.600    0.47   0.66   0.02   -0.11  
1 1 1 31 5  11 o 18.080  0.3384 18.565  114.800   1.63   3.23   0.34   -0.76  
1 1 1 31 5  12 o 12.794  0.2958 11.966  10.100    -0.94  0.11   -0.06  0.01   
1 1 1 31 5  13 o 4.7496  0.2905 6.1298  111.600   0.04   0.07   0.03   -0.00  
1 1 1 31 5  14 o 15.020  0.3274 16.895  -26.0000  -0.57  -0.79  0.00   -0.06  
1 1 1 31 5  15 o 9.4763  0.2018 7.8233  144.000   -0.96  -0.27  -0.47  0.17   
1 1 1 31 5  16 o 8.5010  0.2294 8.2249  35.600    0.03   0.03   -0.00  0.00   
1 1 1 31 5  17 o 19.897  0.1645 18.384  131.300   -1.50  0.86   -1.07  -0.99  
1 1 1 31 5  18 o 2.2640  0.6106 1.4794  65.900    0.07   0.04   -0.01  0.00   
1 1 1 31 5  19 o 4.8353  0.3939 3.8473  -86.9000  0.20   -0.30  -0.14  -0.02  
1 1 1 31 5  20 o 8.8989  0.2527 9.0515  -105.3000 -0.45  -0.06  0.03   -0.06  
1 1 1 31 5  21 o 5.0532  0.4180 4.4529  -64.0000  0.51   0.28   0.03   -0.05  
1 1 1 31 5  22 o 5.6943  0.4126 6.6514  -153.7000 0.23   -0.27  -0.03  -0.01  
1 1 1 31 5  23 o 9.7343  0.3391 ?       ?         -0.03  1.54   -0.03  -0.17  
1 1 1 31 5  24 o 2.5020  1.2313 ?       ?         -0.06  -0.10  -0.00  0.00   
1 1 1 31 5  25 o 0.0000  4.7117 ?       ?         0.23   -0.19  0.00   0.00   
1 1 1 31 6  0  o 56.251  0.3481 49.827  -180.0000 0.21   0.00   0.00   0.00   
1 1 1 31 6  1  o 10.733  0.2626 10.046  119.200   -0.31  1.26   0.16   0.06   
1 1 1 31 6  2  o 30.222  0.1569 30.182  -131.2000 -0.15  -0.48  0.39   0.49   
1 1 1 31 6  3  o 39.804  0.2188 32.005  164.000   -0.82  -0.01  -0.14  -0.15  
1 1 1 31 6  4  o 43.233  0.1984 38.745  14.000    0.18   -0.25  0.03   0.01   
1 1 1 31 6  5  o 15.020  0.4079 13.812  155.400   0.36   3.90   0.88   -0.06  
1 1 1 31 6  6  o 12.134  0.6534 13.059  24.400    8.63   3.61   -1.28  -1.47  
1 1 1 31 6  7  o 10.669  0.1643 10.834  51.900    -0.22  0.30   0.07   0.11   
1 1 1 31 6  8  o 28.039  0.4168 24.819  109.800   0.95   4.67   0.92   -0.68  
1 1 1 31 6  9  o 18.148  0.2585 22.039  -158.7000 -0.78  -5.09  3.49   -0.18  
1 1 1 31 6  10 o 38.782  0.1930 43.407  -169.1000 -0.67  0.25   0.57   -0.09  
1 1 1 31 6  11 o 7.7714  0.3161 10.191  -83.8000  0.93   -2.17  0.44   0.35   
1 1 1 31 6  12 o 5.5069  0.2601 1.0602  -139.8000 -0.60  -0.43  -0.46  -0.50  
1 1 1 31 6  13 o 4.5029  0.3172 3.4657  22.400    0.15   0.03   -0.01  -0.12  
1 1 1 31 6  14 o 13.315  0.1622 13.687  -103.7000 -0.16  0.05   -0.01  -0.00  
1 1 1 31 6  15 o 28.002  0.4859 27.789  -83.0000  0.34   -4.32  0.63   -0.36  
1 1 1 31 6  16 o 11.502  0.1839 9.8158  -76.4000  0.29   0.15   0.01   -0.03  
1 1 1 31 6  17 o 17.636  0.1653 20.024  148.800   -0.12  -0.54  -0.01  -0.11  
1 1 1 31 6  18 o 12.370  0.2128 12.046  -12.2000  0.86   0.48   -0.28  0.11   
1 1 1 31 6  19 o 9.9766  0.2275 10.394  88.900    -1.10  0.15   -0.15  -0.43  
1 1 1 31 6  20 o 13.852  0.5141 15.472  -147.0000 0.01   -2.55  0.18   0.14   
1 1 1 31 6  21 o 3.8822  0.4896 3.5079  26.000    0.60   -0.02  -0.02  0.09   
1 1 1 31 6  22 o 6.2915  0.9854 6.1104  -4.7000   1.05   0.93   0.03   -0.05  
1 1 1 31 6  23 o 5.8585  0.6955 ?       ?         -0.67  -0.57  0.03   -0.02  
1 1 1 31 6  24 o 8.9406  0.5201 ?       ?         -0.40  -0.80  -0.03  0.01   
1 1 1 31 6  25 o 7.6319  1.5011 ?       ?         -0.06  -0.15  0.00   0.00   
1 1 1 31 7  0  f 25.927  0.2653 3.8616  -179.6000 -0.63  0.00   0.00   0.00   
1 1 1 31 7  1  o 35.252  0.5223 33.365  -143.3000 -7.42  3.47   -1.07  1.95   
1 1 1 31 7  2  o 24.362  0.5090 28.819  -92.8000  -2.08  -8.68  1.83   -1.20  
1 1 1 31 7  3  o 29.272  0.3398 29.048  -107.7000 -0.49  -0.79  0.01   -0.06  
1 1 1 31 7  4  o 23.682  0.4592 28.184  146.700   -1.76  5.13   0.98   1.12   
1 1 1 31 7  5  o 18.285  0.1275 10.996  -135.9000 -0.53  -0.11  -0.11  -0.13  
1 1 1 31 7  6  o 14.083  0.2933 12.867  -131.7000 1.26   -2.73  0.36   0.52   
1 1 1 31 7  7  o 11.463  0.4421 18.382  144.900   -12.38 -3.69  -4.28  -3.16  
1 1 1 31 7  8  o 8.9690  0.3188 7.5802  -81.7000  0.26   -1.40  0.17   0.05   
1 1 1 31 7  9  f 25.090  0.2833 20.825  -9.0000   3.29   -3.18  0.40   1.80   
1 1 1 31 7  10 o 22.989  0.2016 23.084  2.5000    -0.83  -1.12  1.25   -0.42  
1 1 1 31 7  11 o 27.620  0.2936 23.776  66.400    -0.21  0.61   0.02   0.03   
1 1 1 31 7  12 o 5.8646  0.2437 5.4733  164.100   -0.17  0.10   0.20   0.17   
1 1 1 31 7  13 o 11.761  0.1594 15.623  -81.4000  0.20   0.17   0.01   -0.03  
1 1 1 31 7  14 o 10.068  0.3325 13.073  -145.9000 0.28   -2.19  0.29   0.15   
1 1 1 31 7  15 o 7.9899  0.5130 7.5174  177.300   -1.41  -1.27  -0.05  -0.16  
1 1 1 31 7  16 o 11.714  0.1772 11.327  118.200   0.03   0.15   0.01   0.02   
1 1 1 31 7  17 o 13.242  0.2031 11.276  0.3000    -0.26  -0.18  -0.05  0.03   
1 1 1 31 7  18 o 12.290  0.1933 12.065  -19.0000  2.22   0.19   -0.17  -1.33  
1 1 1 31 7  19 o 15.652  0.1793 15.436  -0.5000   -0.31  0.67   -0.12  -0.20  
1 1 1 31 7  20 o 6.4939  0.3258 5.5874  -83.4000  0.17   -0.50  0.06   -0.06  
1 1 1 31 7  21 o 7.6455  0.2935 6.9980  -70.7000  0.21   -0.49  0.04   -0.07  
1 1 1 31 7  22 o 9.0376  0.4070 9.6311  -71.7000  0.34   -1.23  0.10   -0.07  
1 1 1 31 7  23 o 6.6930  0.4528 ?       ?         0.16   -0.44  -0.00  -0.03  
1 1 1 31 7  24 o 3.5344  1.0692 ?       ?         -0.07  0.24   -0.00  -0.00  
1 1 1 31 7  25 o 6.8686  1.1308 ?       ?         -0.13  -1.04  -0.01  0.02   
1 1 1 31 8  0  o 6.9210  0.2170 13.517  180.000   -0.05  0.00   0.00   0.00   
1 1 1 31 8  1  o 18.484  0.1336 15.569  95.700    -1.45  0.30   -0.89  0.89   
1 1 1 31 8  2  o 16.266  0.1260 6.8538  -71.4000  -0.17  -0.34  -2.66  0.80   
1 1 1 31 8  3  o 22.668  0.2299 23.358  60.900    3.11   0.45   -1.24  -0.73  
1 1 1 31 8  4  o 17.512  0.1620 14.400  -61.8000  -1.81  -1.68  -0.83  -1.90  
1 1 1 31 8  5  o 33.036  0.1654 38.823  102.300   -0.14  0.96   0.14   -1.74  
1 1 1 31 8  6  o 6.0763  0.5328 11.487  -100.4000 -8.10  -1.99  -1.96  -0.94  
1 1 1 31 8  7  o 9.1563  0.1791 9.4373  -57.5000  0.16   0.37   -0.02  -0.65  
1 1 1 31 8  8  o 48.054  0.7850 38.020  -173.4000 -6.01  -1.35  -0.54  -0.50  
1 1 1 31 8  9  o 10.042  0.1707 5.8166  -40.3000  0.15   -0.26  0.13   0.08   
1 1 1 31 8  10 o 27.957  0.1501 28.959  13.700    -0.57  -0.08  0.25   -0.50  
1 1 1 31 8  11 o 13.153  0.3005 11.231  49.400    3.23   1.31   -0.67  -0.46  
1 1 1 31 8  12 o 4.8134  0.3462 7.6999  31.000    0.26   0.69   0.06   -0.04  
1 1 1 31 8  13 o 2.4502  0.4607 3.9174  147.100   -0.04  0.02   -0.02  -0.03  
1 1 1 31 8  14 o 9.7509  0.1927 11.477  22.400    0.41   -0.00  0.42   0.41   
1 1 1 31 8  15 o 10.445  0.1899 8.7146  -173.2000 -0.44  0.59   0.12   0.08   
1 1 1 31 8  16 o 23.974  0.1725 25.044  -120.3000 0.42   -1.71  -0.43  0.63   
1 1 1 31 8  17 o 9.4219  0.2130 8.3601  -156.5000 0.11   -0.00  0.01   0.02   
1 1 1 31 8  18 o 11.150  0.3757 9.2321  -117.9000 -2.15  -0.83  -0.09  -0.36  
1 1 1 31 8  19 o 4.4443  0.4444 5.0761  -29.2000  0.22   -0.30  -0.09  -0.13  
1 1 1 31 8  20 o 8.0904  0.2713 9.0060  -74.4000  0.24   -0.34  -0.06  -0.09  
1 1 1 31 8  21 o 5.4575  0.4001 4.9401  -94.7000  -0.04  -0.34  -0.06  -0.01  
1 1 1 31 8  22 o 10.770  0.2675 10.809  -21.8000  -0.14  -0.84  -0.07  0.10   
1 1 1 31 8  23 o 8.6061  0.3908 ?       ?         -0.89  -0.23  0.01   0.08   
1 1 1 31 8  24 f 4.3749  0.9054 ?       ?         -0.05  0.41   -0.01  -0.00  
1 1 1 31 8  25 o 4.5728  1.3425 ?       ?         -0.30  0.16   0.00   -0.00  
1 1 1 31 9  0  o 5.7359  0.2343 2.4907  -179.3000 -0.07  0.00   0.00   0.00   
1 1 1 31 9  1  o 46.420  0.2185 41.815  -39.4000  1.55   0.53   0.02   -0.88  
1 1 1 31 9  2  o 19.730  0.4907 14.905  -55.1000  8.30   -2.32  -1.67  1.23   
1 1 1 31 9  3  o 32.036  0.1676 36.720  175.000   -0.37  0.17   0.46   -0.58  
1 1 1 31 9  4  o 27.170  0.3247 17.238  -31.6000  -1.18  -3.03  0.50   -0.84  
1 1 1 31 9  5  o 14.859  0.1456 9.0999  -178.3000 1.72   2.79   0.67   -4.29  
1 1 1 31 9  6  o 47.650  0.4408 45.411  -74.2000  -0.96  -0.08  -0.04  0.01   
1 1 1 31 9  7  o 6.4655  0.1796 8.5705  -171.2000 -0.16  0.22   0.04   0.06   
1 1 1 31 9  8  o 21.101  0.4635 22.121  -69.9000  -1.92  -1.64  0.00   -0.25  
1 1 1 31 9  9  o 11.264  0.1914 11.309  178.500   -1.57  0.67   -0.31  0.46   
1 1 1 31 9  10 o 11.891  0.1537 11.685  87.600    0.20   0.17   -0.24  -0.06  
1 1 1 31 9  11 o 18.142  0.1628 11.876  152.400   -0.34  -0.24  -0.25  -0.01  
1 1 1 31 9  12 o 8.6667  0.1829 7.6870  -101.3000 -0.02  -0.27  0.11   0.10   
1 1 1 31 9  13 o 8.6980  0.3251 12.939  -45.0000  -0.06  -1.44  0.19   -0.05  
1 1 1 31 9  14 o 14.439  0.1690 11.111  174.200   -0.34  -0.17  0.25   0.01   
1 1 1 31 9  15 o 17.901  0.2028 17.122  137.500   -2.68  0.77   -1.31  -0.51  
1 1 1 31 9  16 o 12.003  0.3103 11.973  -108.0000 -0.84  -1.70  0.05   -0.34  
1 1 1 31 9  17 o 6.1410  0.3016 8.5068  -76.8000  1.04   0.79   0.11   -0.37  
1 1 1 31 9  18 o 9.6270  0.2367 9.9154  -74.6000  0.74   0.17   0.03   -0.20  
1 1 1 31 9  19 o 6.9705  0.3122 5.4937  -96.3000  0.48   -0.81  0.34   -0.12  
1 1 1 31 9  20 o 2.2866  1.0653 0.3230  139.000   -0.21  -0.40  0.04   -0.02  
1 1 1 31 9  21 o 10.258  0.2477 11.052  -135.6000 -1.25  -0.30  0.10   0.40   
1 1 1 31 9  22 o 5.1787  0.4919 5.4709  -29.1000  0.42   -0.02  0.01   0.03   
1 1 1 31 9  23 o 3.1698  0.7454 ?       ?         -0.32  -0.25  0.01   0.04   
1 1 1 31 9  24 o 6.5363  0.6775 ?       ?         -0.60  -0.61  0.00   0.02   
1 1 1 31 9  25 o 3.4994  1.2376 ?       ?         -0.11  0.05   0.00   -0.00  
1 1 1 31 10 0  o 23.244  0.1814 27.579  179.900   -0.01  0.00   0.00   0.00   
1 1 1 31 10 1  o 27.742  0.2779 18.353  -17.6000  3.15   -1.03  -1.05  0.41   
1 1 1 31 10 2  o 25.764  0.1357 27.563  -175.3000 -0.39  0.76   1.79   -0.48  
1 1 1 31 10 3  o 7.7352  0.6856 13.942  -111.4000 -2.55  -10.42 1.92   -1.09  
1 1 1 31 10 4  o 11.930  0.2999 10.945  86.800    -0.04  2.41   0.54   -0.05  
1 1 1 31 10 5  o 10.610  0.1216 10.340  61.600    0.60   1.05   0.36   -1.35  
1 1 1 31 10 6  f 30.549  0.1771 27.139  31.700    1.29   -1.95  0.83   0.80   
1 1 1 31 10 7  o 22.704  0.1582 24.116  157.300   -0.52  -0.43  0.42   -0.38  
1 1 1 31 10 8  o 12.797  0.3606 17.983  -75.3000  1.49   -4.50  1.02   0.60   
1 1 1 31 10 9  o 20.407  0.4888 16.411  -74.2000  -5.27  -4.75  -0.39  -1.51  
1 1 1 31 10 10 o 11.686  0.2161 12.769  -52.8000  -1.07  -1.89  0.23   -0.73  
1 1 1 31 10 11 o 31.942  0.1661 35.496  132.500   -1.24  0.11   -0.38  -0.48  
1 1 1 31 10 12 o 17.070  0.1658 15.258  122.600   -0.11  -1.13  0.67   1.01   
1 1 1 31 10 13 o 23.554  0.1519 27.295  57.700    1.00   1.14   -1.69  0.13   
1 1 1 31 10 14 o 9.8339  0.1962 9.3244  140.200   0.21   0.83   -0.02  -0.78  
1 1 1 31 10 15 o 5.3032  0.4789 5.0786  -20.1000  0.86   0.33   -0.06  -0.03  
1 1 1 31 10 16 o 17.038  0.1617 17.533  75.500    -0.05  0.88   -0.44  0.38   
1 1 1 31 10 17 f 5.3360  0.3999 8.3505  -169.8000 0.31   0.71   0.02   -0.07  
1 1 1 31 10 18 o 8.0805  0.2635 7.9033  153.000   -0.20  0.09   0.03   0.02   
1 1 1 31 10 19 o 12.025  0.4155 12.254  -39.9000  -2.14  0.12   -0.17  0.15   
1 1 1 31 10 20 o 4.2339  0.4461 4.6574  100.000   0.00   0.02   0.00   0.00   
1 1 1 31 10 21 o 9.2304  0.2963 9.1975  -152.2000 -1.12  -0.94  -0.28  0.33   
1 1 1 31 10 22 o 5.1045  0.5121 6.1983  59.200    0.09   0.46   -0.00  -0.02  
1 1 1 31 10 23 f 6.8098  0.4839 ?       ?         0.62   -1.12  0.05   -0.08  
1 1 1 31 10 24 f 3.7005  1.0533 ?       ?         0.01   -0.16  -0.00  -0.00  
1 1 1 31 10 25 o 8.1042  0.8280 ?       ?         -0.83  -0.10  0.00   -0.01  
1 1 1 31 11 0  o 11.480  0.1885 15.571  -0.0000   0.14   0.00   0.00   0.00   
1 1 1 31 11 1  o 21.960  0.2310 22.768  -142.4000 -0.91  -2.95  1.40   -0.45  
1 1 1 31 11 2  o 12.600  0.1714 4.6745  132.900   -2.64  -1.17  -1.22  -2.21  
1 1 1 31 11 3  o 26.006  0.1552 27.786  1.2000    -0.32  -0.61  0.68   0.12   
1 1 1 31 11 4  o 8.4796  0.1868 4.9198  2.4000    -0.09  1.76   0.80   -0.04  
1 1 1 31 11 5  o 20.637  0.1309 19.018  134.200   -1.66  0.47   -1.69  0.22   
1 1 1 31 11 6  o 4.8719  0.4569 3.0458  -137.7000 -1.01  -1.91  0.15   -0.19  
1 1 1 31 11 7  o 15.070  0.4514 20.257  -122.5000 -0.21  -6.11  1.39   0.05   
1 1 1 31 11 8  o 13.534  0.1360 11.404  -40.8000  0.49   0.17   -0.06  -0.07  
1 1 1 31 11 9  o 26.479  0.2313 28.157  -2.7000   0.44   0.49   0.04   -0.06  
1 1 1 31 11 10 o 13.892  0.1655 12.417  -76.0000  0.07   -2.52  2.89   -1.34  
1 1 1 31 11 11 o 41.189  0.8464 43.378  4.6000    11.19  10.41  0.51   -2.70  
1 1 1 31 11 12 o 19.282  0.1444 20.484  79.900    -0.16  0.03   0.06   -0.04  
1 1 1 31 11 13 o 21.025  0.1772 20.416  122.400   0.65   -0.33  -0.19  -0.48  
1 1 1 31 11 14 o 12.724  0.1828 14.276  39.800    -0.38  -0.13  -0.07  0.01   
1 1 1 31 11 15 f 6.9565  0.2482 7.2314  95.600    -0.40  0.09   -0.15  -0.27  
1 1 1 31 11 16 o 6.3166  0.6056 7.4680  -145.5000 0.07   -0.98  0.04   -0.00  
1 1 1 31 11 17 o 13.777  0.1850 12.499  -57.9000  0.07   0.49   0.02   0.08   
1 1 1 31 11 18 o 4.8537  0.3934 5.1713  155.400   -0.19  0.40   0.13   -0.12  
1 1 1 31 11 19 o 6.0213  0.4945 6.9160  -56.7000  2.17   -0.06  -0.29  0.21   
1 1 1 31 11 20 o 5.6461  0.8242 6.4110  -80.5000  0.84   -0.22  -0.03  0.00   
1 1 1 31 11 21 o 6.1430  0.6122 5.7642  110.600   0.09   1.38   0.09   0.06   
1 1 1 31 11 22 o 5.2469  0.9302 4.7616  -115.6000 0.45   -0.83  -0.01  0.04   
1 1 1 31 11 23 o 10.459  0.4685 ?       ?         -0.70  -0.85  0.03   0.03   
1 1 1 31 11 24 o 8.5908  0.6876 ?       ?         -0.43  0.81   0.01   -0.01  
1 1 1 31 11 25 o 5.1705  1.1263 ?       ?         -0.25  0.75   -0.01  0.00   
1 1 1 31 12 0  o 33.916  0.2401 22.716  -179.9000 0.25   0.00   0.00   0.00   
1 1 1 31 12 1  o 10.452  0.6018 7.0211  -28.4000  -2.57  -5.62  0.54   -0.69  
1 1 1 31 12 2  o 47.046  0.9083 41.152  27.500    16.72  -7.70  -2.28  4.34   
1 1 1 31 12 3  o 17.198  0.4104 22.439  -17.7000  5.63   -1.94  -1.22  1.22   
1 1 1 31 12 4  o 12.237  0.3584 12.751  135.300   -2.51  1.60   -0.15  0.40   
1 1 1 31 12 5  o 9.3454  0.1667 9.2078  -66.7000  -0.46  -0.29  -0.11  -0.14  
1 1 1 31 12 6  o 31.667  0.8361 29.879  89.900    10.87  19.26  2.47   -5.91  
1 1 1 31 12 7  o 4.6656  0.3152 8.1506  -27.8000  0.95   1.44   0.17   -0.33  
1 1 1 31 12 8  o 28.219  0.1556 31.160  -101.3000 -0.15  -0.36  0.19   0.10   
1 1 1 31 12 9  o 11.563  0.1416 8.8463  -70.7000  -0.29  -0.20  0.06   -0.20  
1 1 1 31 12 10 o 24.995  0.1544 19.613  -103.1000 -0.39  -1.45  0.11   -1.34  
1 1 1 31 12 11 o 12.175  0.1956 11.435  -69.9000  -0.49  -1.20  0.27   -0.15  
1 1 1 31 12 12 o 8.4030  0.1839 10.585  0.0000    0.17   0.55   0.11   -0.30  
1 1 1 31 12 13 o 6.8555  0.2480 6.7896  -1.7000   0.51   1.55   0.44   -0.15  
1 1 1 31 12 14 o 19.495  0.2853 20.137  -31.7000  0.25   0.76   0.06   0.01   
1 1 1 31 12 15 o 13.303  0.2385 13.481  -149.0000 -1.56  -0.00  -0.27  0.18   
1 1 1 31 12 16 o 13.257  0.1885 14.746  20.700    0.07   -0.45  -0.22  0.12   
1 1 1 31 12 17 o 7.9548  0.4768 5.7964  -35.4000  -0.52  -1.91  0.24   -0.03  
1 1 1 31 12 18 o 10.971  0.4156 10.548  -67.6000  1.62   -1.49  -0.20  0.23   
1 1 1 31 12 19 o 6.3126  0.3534 4.5084  166.300   -0.33  0.34   -0.02  0.02   
1 1 1 31 12 20 o 13.002  0.2146 13.399  -21.6000  1.02   -0.61  0.17   -0.29  
1 1 1 31 12 21 o 7.5718  0.3510 8.0827  104.300   0.61   1.18   -0.26  -0.13  
1 1 1 31 12 22 o 3.8626  0.5972 ?       ?         0.15   0.22   0.00   0.01   
1 1 1 31 12 23 o 10.343  0.5352 ?       ?         0.79   1.06   0.04   0.04   
1 1 1 31 12 24 f 8.5152  0.5427 ?       ?         0.74   -0.56  0.00   -0.03  
1 1 1 31 12 25 o 6.6647  0.9469 ?       ?         0.34   0.13   0.00   -0.00  
1 1 1 31 13 0  o 18.863  0.1941 16.967  -0.1000   0.24   0.00   0.00   0.00   
1 1 1 31 13 1  o 32.213  0.7163 32.602  8.3000    12.48  -6.89  -1.46  3.36   
1 1 1 31 13 2  o 52.520  0.2465 48.477  137.000   0.03   1.74   0.29   -0.43  
1 1 1 31 13 3  o 8.6477  0.1402 8.8529  170.200   0.98   1.06   0.40   -1.40  
1 1 1 31 13 4  o 43.709  0.3708 35.383  -123.0000 -0.44  3.05   0.65   -0.08  
1 1 1 31 13 5  o 27.737  0.5237 26.397  69.400    4.12   3.59   0.02   -0.89  
1 1 1 31 13 6  o 26.721  0.2338 31.378  146.000   1.35   1.62   0.37   -0.55  
1 1 1 31 13 7  o 15.418  0.1805 16.906  14.900    0.38   -1.73  0.60   0.12   
1 1 1 31 13 8  o 20.347  0.2675 20.163  109.100   -1.21  2.34   0.60   0.46   
1 1 1 31 13 9  o 33.824  0.2224 32.982  -129.3000 -4.22  -0.67  -2.45  0.91   
1 1 1 31 13 10 o 13.498  0.1343 9.7644  -151.3000 -0.77  -0.66  -0.23  -0.36  
1 1 1 31 13 11 o 29.756  0.3925 29.793  -162.5000 -4.04  -1.23  -0.45  -0.79  
1 1 1 31 13 12 o 14.759  0.1751 14.106  -57.0000  -0.39  -1.06  0.10   -0.29  
1 1 1 31 13 13 o 3.9276  0.3413 1.9792  -115.9000 -0.44  -0.30  0.02   -0.19  
1 1 1 31 13 14 f 4.2109  0.3723 3.2717  -148.7000 -0.11  0.88   0.13   0.11   
1 1 1 31 13 15 o 6.6058  0.2598 4.5881  -40.3000  -0.65  -0.39  -0.77  0.31   
1 1 1 31 13 16 o 13.560  0.1794 14.804  -123.6000 -0.35  0.08   -0.03  -0.02  
1 1 1 31 13 17 o 22.371  0.3151 21.907  -133.4000 -1.78  -0.68  0.09   -0.26  
1 1 1 31 13 18 o 6.9217  0.2980 8.6858  -100.9000 -0.28  -0.31  -0.06  0.17   
1 1 1 31 13 19 o 4.1184  1.0844 3.8453  -133.9000 0.81   0.60   -0.02  -0.03  
1 1 1 31 13 20 o 2.6803  1.2159 2.3612  -42.5000  0.43   0.12   -0.01  -0.03  
1 1 1 31 13 21 o 8.2318  0.3482 9.1690  119.600   0.17   0.16   0.01   0.00   
1 1 1 31 13 22 o 4.8086  0.5274 ?       ?         -0.84  0.02   0.07   0.07   
1 1 1 31 13 23 o 10.278  0.4048 ?       ?         -0.31  1.73   -0.05  -0.10  
1 1 1 31 13 24 o 2.8208  1.1432 ?       ?         0.19   -0.38  -0.01  -0.01  
1 1 1 31 13 25 o 4.7309  1.4192 ?       ?         0.17   -0.39  -0.00  -0.00  
1 1 1 31 14 0  o 14.977  0.2074 3.3124  179.800   -0.01  0.00   0.00   0.00   
1 1 1 31 14 1  o 36.950  0.5592 36.899  37.200    5.85   -2.66  -0.61  1.19   
1 1 1 31 14 2  o 12.568  0.1720 4.9836  89.500    0.24   1.16   0.21   -0.13  
1 1 1 31 14 3  o 27.514  0.2416 26.898  99.200    -2.74  2.21   -0.59  1.17   
1 1 1 31 14 4  o 52.660  0.2407 52.980  25.300    0.96   -0.58  0.08   0.21   
1 1 1 31 14 5  o 17.834  0.3144 20.994  39.600    3.55   4.54   1.01   -2.23  
1 1 1 31 14 6  o 13.474  0.1502 13.580  95.100    -0.10  -0.03  0.04   -0.06  
1 1 1 31 14 7  o 12.288  0.1719 10.383  77.500    2.24   0.51   -0.96  -0.75  
1 1 1 31 14 8  o 12.324  0.1386 13.206  -160.3000 0.16   -0.67  0.28   0.52   
1 1 1 31 14 9  o 10.418  0.2092 8.5315  -126.6000 -1.68  -3.43  1.65   -1.44  
1 1 1 31 14 10 o 14.198  0.1871 14.869  32.800    -0.23  -0.06  -0.01  -0.01  
1 1 1 31 14 11 o 6.8451  0.4419 8.1369  102.600   0.19   2.11   0.27   -0.01  
1 1 1 31 14 12 o 17.442  0.1494 17.327  98.300    -0.25  -0.19  0.08   -0.06  
1 1 1 31 14 13 o 11.638  0.1626 11.887  -177.7000 -0.22  0.66   0.21   -0.03  
1 1 1 31 14 14 o 8.1617  0.2203 4.9128  82.100    0.12   -1.29  0.30   0.30   
1 1 1 31 14 15 o 3.5340  0.4313 2.5835  98.000    0.17   -0.30  -0.14  0.14   
1 1 1 31 14 16 o 15.744  0.1661 15.729  119.300   0.28   -0.19  0.06   0.01   
1 1 1 31 14 17 o 2.5424  0.5840 3.3494  -142.2000 0.23   -0.29  -0.03  0.06   
1 1 1 31 14 18 o 16.064  0.1715 17.739  78.200    0.78   0.62   0.26   0.18   
1 1 1 31 14 19 o 9.4274  0.2495 10.477  -149.0000 -1.23  -0.43  0.08   -0.25  
1 1 1 31 14 20 o 3.2316  0.7366 1.9988  -146.4000 0.06   0.12   0.00   -0.00  
1 1 1 31 14 21 o 7.4738  0.3635 7.4659  160.200   -0.39  1.72   -0.57  0.21   
1 1 1 31 14 22 o 7.4018  0.4076 ?       ?         0.39   -0.38  0.02   -0.03  
1 1 1 31 14 23 o 7.7990  0.4928 ?       ?         -1.17  0.53   0.08   -0.00  
1 1 1 31 14 24 o 2.4198  1.2579 ?       ?         0.02   -0.14  -0.00  -0.00  
1 1 1 31 14 25 o 7.3140  0.8822 ?       ?         0.12   -0.41  -0.00  0.00   
1 1 1 31 15 0  o 39.119  0.2552 33.168  180.000   -1.00  0.00   0.00   0.00   
1 1 1 31 15 1  o 31.340  0.5050 29.724  161.900   -9.51  -6.64  -1.98  -3.43  
1 1 1 31 15 2  o 32.876  0.1676 31.686  34.800    -0.57  0.22   -0.08  0.02   
1 1 1 31 15 3  o 22.015  0.2540 23.459  15.500    6.02   -0.91  -3.08  1.66   
1 1 1 31 15 4  o 10.051  0.3119 8.0792  -104.9000 0.04   -5.16  2.00   -0.18  
1 1 1 31 15 5  o 15.697  0.1404 18.380  97.000    0.07   -0.21  -0.30  0.20   
1 1 1 31 15 6  o 6.1677  0.4991 6.0341  112.800   -3.86  0.04   -0.50  0.03   
1 1 1 31 15 7  o 20.979  0.3726 17.452  117.700   -4.68  3.69   -0.61  1.48   
1 1 1 31 15 8  o 3.0904  0.3365 4.7510  -14.4000  0.16   0.20   0.04   -0.07  
1 1 1 31 15 9  o 7.5762  0.3777 1.9160  -35.7000  3.59   -6.12  1.66   2.38   
1 1 1 31 15 10 o 11.817  0.2805 10.987  -161.9000 -1.21  -1.29  0.06   -0.24  
1 1 1 31 15 11 o 13.826  0.5244 15.092  -112.1000 2.37   -6.73  1.01   1.13   
1 1 1 31 15 12 o 13.853  0.1771 11.290  48.300    -0.56  0.60   0.66   0.13   
1 1 1 31 15 13 o 10.988  0.1964 9.6111  99.900    0.07   1.17   0.22   -0.15  
1 1 1 31 15 14 o 13.485  0.2517 14.020  -92.6000  -1.83  0.48   -0.44  -0.03  
1 1 1 31 15 15 o 15.133  0.1648 13.954  -167.0000 0.13   -0.78  -0.07  0.28   
1 1 1 31 15 16 o 16.232  0.3098 15.472  21.400    1.15   0.72   -0.12  -0.07  
1 1 1 31 15 17 f 7.0316  0.2780 6.0543  51.700    -0.61  -0.43  0.30   -0.13  
1 1 1 31 15 18 o 7.9716  0.2723 6.9622  -114.6000 0.24   -0.40  -0.10  -0.15  
1 1 1 31 15 19 o 7.3084  0.5371 6.3219  -63.0000  -1.23  -1.72  0.17   -0.14  
1 1 1 31 15 20 o 8.2411  0.6751 10.109  -151.2000 0.64   -1.10  0.05   0.02   
1 1 1 31 15 21 o 10.704  0.2810 12.189  147.400   -0.31  0.97   0.03   -0.12  
1 1 1 31 15 22 o 5.9288  0.4751 ?       ?         -0.63  -0.20  0.04   -0.02  
1 1 1 31 15 23 o 5.5418  0.5979 ?       ?         0.27   -0.06  0.00   -0.00  
1 1 1 31 15 24 o 5.6768  0.6525 ?       ?         -0.72  -0.25  0.01   0.02   
1 1 1 31 15 25 o 15.894  0.5482 ?       ?         1.25   -3.91  -0.06  0.02   
1 1 1 31 16 0  o 9.5917  0.1589 7.4240  179.700   -0.02  0.00   0.00   0.00   
1 1 1 31 16 1  o 20.231  0.2126 23.375  164.000   -4.15  2.00   -1.88  1.61   
1 1 1 31 16 2  o 17.776  0.4829 19.888  -141.8000 -11.63 -2.22  -2.88  -0.92  
1 1 1 31 16 3  o 13.084  0.2402 14.081  -46.8000  0.99   -1.39  0.06   0.38   
1 1 1 31 16 4  o 7.5294  0.1594 6.1238  -146.0000 0.90   -0.41  -1.39  0.70   
1 1 1 31 16 5  o 16.399  0.4608 15.642  175.300   -3.01  -1.81  -0.17  -0.47  
1 1 1 31 16 6  o 22.797  0.4441 27.959  -19.6000  7.27   -1.06  -1.88  0.25   
1 1 1 31 16 7  o 11.979  0.2233 15.730  65.100    1.66   0.40   -0.37  -0.11  
1 1 1 31 16 8  o 7.9740  0.1830 5.4796  -164.3000 -0.65  0.42   -0.75  0.50   
1 1 1 31 16 9  o 24.787  0.4053 21.288  91.900    -1.52  4.38   0.72   0.32   
1 1 1 31 16 10 o 7.0362  0.2974 7.4918  159.900   0.11   -0.12  -0.00  0.00   
1 1 1 31 16 11 o 26.900  0.1579 26.357  -43.5000  0.53   -1.88  0.93   -0.56  
1 1 1 31 16 12 o 21.087  0.1620 21.199  -69.9000  1.06   1.34   -0.58  -0.61  
1 1 1 31 16 13 o 4.3747  0.3341 3.9632  115.100   -0.12  -0.03  -0.03  0.02   
1 1 1 31 16 14 o 9.8452  0.1928 8.8726  -12.8000  0.57   0.26   -0.23  0.67   
1 1 1 31 16 15 o 5.9085  0.2789 6.2053  -34.1000  -0.17  -0.31  -0.07  -0.12  
1 1 1 31 16 16 o 13.494  0.1752 14.911  -25.8000  0.34   -0.56  -0.37  -0.25  
1 1 1 31 16 17 o 11.209  0.2082 9.8514  73.100    0.29   0.92   0.19   0.28   
1 1 1 31 16 18 o 7.4706  0.2978 7.4311  -122.7000 -0.64  0.10   -0.05  -0.04  
1 1 1 31 16 19 o 4.3271  0.4533 3.9889  -80.3000  0.13   0.06   0.01   0.00   
1 1 1 31 16 20 o 9.7131  0.2710 10.071  -40.6000  -0.75  -0.28  0.11   -0.05  
1 1 1 31 16 21 o 6.5400  0.3820 5.7974  -35.4000  0.18   0.38   -0.03  0.03   
1 1 1 31 16 22 o 5.9778  0.5048 ?       ?         -0.75  0.24   0.03   0.03   
1 1 1 31 16 23 f 4.7102  0.8443 ?       ?         -0.37  0.74   0.02   -0.03  
1 1 1 31 16 24 o 4.8962  0.9540 ?       ?         -0.16  0.29   -0.00  0.00   
1 1 1 31 16 25 o 3.1866  1.7094 ?       ?         -0.09  0.33   -0.00  -0.00  
1 1 1 31 17 0  o 8.4735  0.2520 11.946  0.0000    -0.03  0.00   0.00   0.00   
1 1 1 31 17 1  o 17.283  0.1338 21.449  -75.7000  -0.04  -0.25  0.03   0.33   
1 1 1 31 17 2  o 17.687  0.1647 18.596  16.700    2.05   2.27   0.97   -2.10  
1 1 1 31 17 3  o 16.428  0.2773 9.6296  -59.6000  -2.70  -3.39  0.74   -1.64  
1 1 1 31 17 4  o 43.026  0.2030 37.789  66.700    0.22   1.09   0.25   0.21   
1 1 1 31 17 5  o 26.600  0.1399 28.958  125.500   -0.36  0.88   0.35   0.05   
1 1 1 31 17 6  o 22.598  0.3369 18.495  -71.0000  -2.94  -3.58  0.55   -1.16  
1 1 1 31 17 7  o 22.557  0.1539 22.680  -169.5000 -0.09  -0.34  -0.22  -0.21  
1 1 1 31 17 8  o 9.7799  0.2503 10.768  -31.5000  -1.86  -0.25  -0.35  -0.16  
1 1 1 31 17 9  o 6.6850  0.2176 5.5850  -119.0000 0.42   -0.12  -0.02  0.02   
1 1 1 31 17 10 o 7.2710  0.2022 7.2216  156.600   -0.15  -0.26  0.12   -0.05  
1 1 1 31 17 11 o 14.641  0.2019 13.626  48.900    0.24   0.61   0.03   -0.06  
1 1 1 31 17 12 o 12.792  0.1767 11.813  -124.8000 -0.12  0.85   0.11   0.11   
1 1 1 31 17 13 o 6.9743  0.2289 6.1682  35.700    -0.26  -0.12  0.02   -0.07  
1 1 1 31 17 14 o 19.621  0.1641 18.128  56.700    -0.94  -0.89  0.74   0.22   
1 1 1 31 17 15 o 13.302  0.3399 13.153  -159.1000 -1.28  -0.46  -0.05  -0.10  
1 1 1 31 17 16 o 23.885  0.1709 22.801  -46.8000  1.42   -1.20  -0.23  -0.62  
1 1 1 31 17 17 o 14.818  0.1856 15.067  28.300    1.27   0.74   0.65   0.30   
1 1 1 31 17 18 o 9.1058  0.3825 8.2683  94.000    1.49   0.70   -0.01  -0.19  
1 1 1 31 17 19 o 7.8062  0.2734 9.0580  -27.6000  0.57   -0.36  0.02   -0.19  
1 1 1 31 17 20 o 9.3483  0.2808 11.183  58.400    -0.73  -0.14  0.12   0.03   
1 1 1 31 17 21 o 6.3201  0.4183 7.2670  -130.7000 -0.77  -0.20  0.11   0.08   
1 1 1 31 17 22 o 9.5855  0.3979 ?       ?         2.57   -0.37  0.47   0.09   
1 1 1 31 17 23 o 10.605  0.3925 ?       ?         -0.22  1.31   -0.04  0.02   
1 1 1 31 17 24 o 4.0767  0.8883 ?       ?         -0.39  0.30   0.01   -0.00  
1 1 1 31 17 25 o 3.1248  1.7162 ?       ?         -0.07  0.03   0.00   -0.00  
1 1 1 31 18 0  o 51.685  0.3889 50.134  -0.0000   0.15   0.00   0.00   0.00   
1 1 1 31 18 1  o 21.228  0.4225 20.430  66.100    1.94   5.07   0.81   -1.05  
1 1 1 31 18 2  o 9.1089  0.3548 13.520  -141.1000 -4.46  2.23   -0.80  1.29   
1 1 1 31 18 3  o 11.962  0.1183 11.794  39.100    -0.64  -0.17  -1.05  0.21   
1 1 1 31 18 4  o 19.224  0.5901 18.548  88.000    5.57   3.04   -0.42  -0.54  
1 1 1 31 18 5  o 13.401  0.1535 9.2838  13.200    -0.10  -0.01  -0.01  -0.00  
1 1 1 31 18 6  o 21.136  0.1467 17.145  80.100    -0.35  -0.37  -0.08  -0.10  
1 1 1 31 18 7  o 24.640  0.2182 28.517  -111.2000 -1.34  0.77   -0.03  0.29   
1 1 1 31 18 8  o 21.765  0.2138 24.978  27.400    -0.05  3.52   1.46   0.63   
1 1 1 31 18 9  f 6.1343  0.2259 6.2626  13.500    0.39   0.49   0.26   -0.34  
1 1 1 31 18 10 o 9.6549  0.1823 12.616  -6.9000   1.05   0.87   0.08   -0.47  
1 1 1 31 18 11 o 7.7300  0.1952 4.3175  116.400   -1.17  -0.96  0.12   -0.61  
1 1 1 31 18 12 o 11.979  0.1598 13.371  -122.9000 1.23   -1.46  -0.61  1.04   
1 1 1 31 18 13 o 3.8842  0.3879 3.0379  31.100    0.46   -0.02  -0.11  0.19   
1 1 1 31 18 14 o 8.3035  0.2439 8.6689  -40.3000  0.78   -0.22  -0.05  0.10   
1 1 1 31 18 15 o 24.583  0.3903 21.742  46.700    -2.78  2.98   -0.40  0.60   
1 1 1 31 18 16 o 9.0012  0.2245 8.3928  5.6000    0.08   0.43   -0.16  0.13   
1 1 1 31 18 17 o 3.3295  0.4856 2.4285  -120.8000 -0.05  0.01   0.00   0.00   
1 1 1 31 18 18 o 3.3330  0.7573 3.4046  -80.4000  -0.43  0.30   0.01   0.03   
1 1 1 31 18 19 o 5.5520  0.3909 4.5688  -90.9000  1.03   -0.08  -0.08  -0.14  
1 1 1 31 18 20 o 7.0134  0.3829 6.0364  -137.2000 -0.90  0.30   0.06   0.09   
1 1 1 31 18 21 o 3.8471  0.5687 4.4327  -109.0000 0.12   -0.50  -0.07  0.01   
1 1 1 31 18 22 o 6.3164  0.9658 ?       ?         -0.44  -0.38  -0.01  -0.00  
1 1 1 31 18 23 o 6.1925  0.6435 ?       ?         0.12   -0.73  -0.01  -0.00  
1 1 1 31 18 24 o 2.4262  1.2068 ?       ?         0.23   -0.35  -0.01  -0.01  
1 1 1 31 19 0  o 13.550  0.1964 12.003  0.2000    0.01   0.00   0.00   0.00   
1 1 1 31 19 1  o 24.791  0.4743 24.760  -101.8000 2.15   -6.49  1.14   1.28   
1 1 1 31 19 2  o 15.260  0.2662 11.293  -9.6000   0.89   -0.89  -0.02  0.14   
1 1 1 31 19 3  o 21.676  0.5491 16.527  -96.4000  5.39   -7.72  0.42   1.75   
1 1 1 31 19 4  o 17.388  0.2683 13.150  -59.7000  1.17   -0.32  -0.09  0.07   
1 1 1 31 19 5  o 30.837  0.4716 25.152  -9.3000   5.12   1.18   -0.88  -0.17  
1 1 1 31 19 6  o 26.180  0.5433 27.290  38.100    12.90  4.17   -3.94  -1.85  
1 1 1 31 19 7  o 22.430  0.2042 24.634  34.700    -1.95  2.26   1.13   1.26   
1 1 1 31 19 8  o 26.113  0.1504 21.202  134.400   -1.80  -0.18  -0.49  -1.70  
1 1 1 31 19 9  o 10.015  0.1608 9.5021  -166.5000 -0.05  0.31   -0.06  0.32   
1 1 1 31 19 10 f 9.6817  0.2625 12.691  -118.8000 -2.83  -1.45  -0.83  -0.70  
1 1 1 31 19 11 o 11.110  0.1702 9.6387  -15.1000  0.28   0.58   0.63   0.49   
1 1 1 31 19 12 f 20.077  0.1587 20.231  -95.5000  -0.49  0.03   -0.02  0.07   
1 1 1 31 19 13 o 7.6615  0.2184 5.2366  -136.1000 -0.02  -0.16  0.01   0.04   
1 1 1 31 19 14 o 15.263  0.2278 13.856  -63.6000  1.10   -0.53  -0.19  0.03   
1 1 1 31 19 15 o 6.1309  0.2826 7.0155  -1.7000   0.77   0.37   -0.26  -0.04  
1 1 1 31 19 16 o 7.7887  0.2637 5.7831  -152.3000 -0.91  -0.31  -0.22  0.09   
1 1 1 31 19 17 o 7.3993  0.3541 7.9904  115.800   -0.43  -0.07  -0.02  0.01   
1 1 1 31 19 18 o 4.8720  0.4083 5.2798  -40.5000  -0.04  -0.12  0.00   -0.00  
1 1 1 31 19 19 o 1.1536  0.8722 2.0636  72.200    -0.08  -0.00  0.00   -0.01  
1 1 1 31 19 20 o 4.5962  0.5222 4.3158  68.800    0.35   0.02   0.00   0.02   
1 1 1 31 19 21 o 8.2656  0.3192 ?       ?         0.96   0.02   0.03   -0.07  
1 1 1 31 19 22 o 11.629  0.3624 ?       ?         0.12   -0.90  -0.02  0.01   
1 1 1 31 19 23 o 6.6649  0.5976 ?       ?         -0.54  -0.95  -0.02  0.03   
1 1 1 31 19 24 o 1.7852  1.2925 ?       ?         -0.00  0.10   -0.00  0.00   
1 1 1 31 20 0  o 15.799  0.2431 9.3581  -179.9000 -0.02  0.00   0.00   0.00   
1 1 1 31 20 1  o 43.377  0.4013 40.653  -58.6000  -1.65  -1.56  -0.19  -0.27  
1 1 1 31 20 2  o 14.003  0.6243 11.583  -47.3000  10.78  -1.00  -2.01  0.53   
1 1 1 31 20 3  o 17.265  0.1729 19.657  86.300    0.92   1.67   3.04   -1.00  
1 1 1 31 20 4  o 17.521  0.7276 16.635  -129.7000 -10.82 4.55   -1.08  1.33   
1 1 1 31 20 5  o 27.633  0.1732 24.712  -134.3000 -0.29  -1.11  0.29   0.04   
1 1 1 31 20 6  o 16.705  0.2437 14.781  -91.5000  -0.58  -3.51  1.18   -0.09  
1 1 1 31 20 7  o 21.959  0.3423 22.169  -18.7000  3.34   0.91   -0.53  -0.15  
1 1 1 31 20 8  o 5.6346  0.3166 1.3104  55.900    3.23   -1.24  -0.72  0.82   
1 1 1 31 20 9  o 17.742  0.1362 18.430  87.600    -0.65  0.55   -0.21  0.16   
1 1 1 31 20 10 o 12.602  0.3508 15.972  -70.7000  1.37   0.51   -0.07  -0.09  
1 1 1 31 20 11 o 10.594  0.2451 8.2908  -70.4000  -2.05  -1.00  -0.15  -0.70  
1 1 1 31 20 12 o 4.7122  0.4661 3.9504  177.200   -1.07  -1.00  -0.07  -0.19  
1 1 1 31 20 13 o 22.464  0.1537 23.881  16.200    1.47   0.32   0.39   0.94   
1 1 1 31 20 14 o 8.1937  0.2163 8.5782  -82.1000  0.74   0.20   -0.01  -0.36  
1 1 1 31 20 15 o 3.4675  0.4923 3.2037  -160.0000 -0.09  -0.14  0.02   -0.00  
1 1 1 31 20 16 o 8.1135  0.4976 7.1177  -83.7000  -0.51  -0.82  0.03   -0.03  
1 1 1 31 20 17 o 13.176  0.2093 14.063  -55.6000  -1.56  -1.25  0.75   -0.17  
1 1 1 31 20 18 o 11.941  0.3861 12.438  121.600   -1.23  -1.49  0.18   -0.10  
1 1 1 31 20 19 o 12.647  0.2999 14.405  15.400    0.18   -1.28  0.04   -0.13  
1 1 1 31 20 20 o 9.6392  0.2929 8.9643  179.800   -0.78  -0.22  0.08   0.07   
1 1 1 31 20 21 o 7.6227  0.4216 ?       ?         -0.76  -1.07  0.07   0.10   
1 1 1 31 20 22 o 3.4579  0.8722 ?       ?         0.08   -0.08  0.00   -0.00  
1 1 1 31 20 23 o 14.256  0.3419 ?       ?         1.42   -2.05  -0.01  -0.12  
1 1 1 31 20 24 o 6.4272  0.9857 ?       ?         -0.93  -0.81  0.02   0.00   
1 1 1 31 21 0  o 13.635  0.1881 17.272  -180.0000 0.08   0.00   0.00   0.00   
1 1 1 31 21 1  o 8.3389  0.2156 3.9761  56.300    -4.44  2.71   -1.92  2.88   
1 1 1 31 21 2  o 24.315  0.1737 25.458  -140.1000 -0.99  1.84   1.10   0.37   
1 1 1 31 21 3  o 15.603  0.6404 13.314  -137.9000 -12.99 -7.61  -2.08  -3.01  
1 1 1 31 21 4  o 18.325  0.3283 17.077  30.400    -2.22  0.03   -0.31  -0.06  
1 1 1 31 21 5  o 5.4995  0.1703 2.3063  97.600    2.64   -0.21  -3.23  1.29   
1 1 1 31 21 6  o 28.376  0.1510 24.736  172.100   -1.05  0.92   0.96   0.53   
1 1 1 31 21 7  o 5.3639  0.2228 4.1001  179.500   -1.01  -1.00  0.16   -0.72  
1 1 1 31 21 8  o 5.3962  0.2244 4.5433  -116.6000 -0.37  0.19   -0.00  0.25   
1 1 1 31 21 9  o 16.776  0.4974 19.244  -93.7000  7.51   -6.86  -0.77  2.56   
1 1 1 31 21 10 o 18.661  0.1528 15.961  128.800   1.88   2.17   2.27   -1.20  
1 1 1 31 21 11 o 16.176  0.1447 14.455  -170.6000 -0.27  -1.02  0.35   0.19   
1 1 1 31 21 12 o 14.714  0.1858 13.777  126.900   -0.32  0.69   -0.02  0.11   
1 1 1 31 21 13 o 11.370  0.1896 10.618  157.100   0.60   -0.09  -0.09  -0.07  
1 1 1 31 21 14 f 18.163  0.4465 17.072  128.400   -1.57  5.18   0.50   0.79   
1 1 1 31 21 15 o 2.0080  0.6419 3.1030  69.500    0.06   0.15   -0.05  0.07   
1 1 1 31 21 16 o 10.973  0.2119 9.4664  132.700   1.04   -0.62  0.15   0.19   
1 1 1 31 21 17 o 17.446  0.4093 15.754  -26.0000  2.73   1.08   -0.01  -0.32  
1 1 1 31 21 18 o 7.4061  0.2914 8.2495  120.400   -0.53  -0.61  0.19   0.10   
1 1 1 31 21 19 o 6.9969  0.3653 7.0800  2.6000    0.26   0.75   -0.12  0.13   
1 1 1 31 21 20 o 2.6528  0.7290 1.5287  103.500   -0.03  0.19   0.00   -0.01  
1 1 1 31 21 21 o 9.8682  0.3734 ?       ?         0.44   0.02   0.01   0.00   
1 1 1 31 21 22 o 4.9814  0.6596 ?       ?         -0.99  -0.49  0.06   -0.02  
1 1 1 31 21 23 o 3.8390  0.7910 ?       ?         -0.40  0.25   0.01   -0.01  
1 1 1 31 21 24 o 4.1328  0.9812 ?       ?         0.15   -0.14  -0.00  -0.00  
1 1 1 31 22 0  o 8.0932  0.4995 2.4517  -0.1000   0.10   0.00   0.00   0.00   
1 1 1 31 22 1  o 9.3426  0.1450 11.430  -34.4000  0.29   -0.32  0.17   0.20   
1 1 1 31 22 2  o 15.752  1.9420 11.880  141.300   0.00   0.00   0.00   0.00   
1 1 1 31 22 3  o 8.0761  0.1528 10.957  35.400    -2.96  2.84   -1.36  4.98   
1 1 1 31 22 4  o 10.613  0.1171 12.853  89.600    -0.08  0.22   0.02   0.06   
1 1 1 31 22 5  o 6.3266  0.1415 3.5317  -85.8000  -1.14  -0.84  -0.73  -1.13  
1 1 1 31 22 6  o 26.169  0.4302 25.004  44.900    7.02   -5.11  -0.15  2.14   
1 1 1 31 22 7  o 19.920  0.1513 18.625  -97.9000  1.25   -1.29  -0.49  0.63   
1 1 1 31 22 8  o 5.9425  0.1943 6.2400  -133.6000 -0.83  0.29   -0.32  1.01   
1 1 1 31 22 9  o 14.764  0.3591 17.015  -179.5000 -3.94  -2.63  -0.16  -1.05  
1 1 1 31 22 10 o 2.3384  0.4422 2.2874  66.000    -0.10  -0.16  -0.00  -0.04  
1 1 1 31 22 11 o 9.4587  0.1861 10.071  -177.2000 -0.40  0.15   0.17   0.14   
1 1 1 31 22 12 o 4.9670  0.2851 4.6416  67.800    -0.31  -0.03  -0.03  -0.04  
1 1 1 31 22 13 o 8.6122  0.1996 6.1172  61.700    0.31   -0.40  -0.19  0.10   
1 1 1 31 22 14 o 8.2617  0.2662 7.4343  -63.0000  1.17   -0.78  -0.24  0.15   
1 1 1 31 22 15 o 2.9433  0.5141 4.2580  -77.4000  0.31   -0.06  -0.03  -0.01  
1 1 1 31 22 16 o 5.1596  0.3592 4.9013  76.800    0.69   0.34   -0.14  0.01   
1 1 1 31 22 17 o 11.945  0.2128 11.736  -33.1000  -0.44  0.49   0.06   -0.09  
1 1 1 31 22 18 o 6.8810  0.3318 8.8125  -57.7000  0.30   -0.76  -0.18  -0.17  
1 1 1 31 22 19 o 2.5206  1.1869 2.6652  -65.1000  -0.17  -0.32  0.02   -0.00  
1 1 1 31 22 20 o 3.4248  0.6497 3.3455  127.300   0.09   -0.01  0.00   0.00   
1 1 1 31 22 21 o 11.352  0.3395 ?       ?         0.39   2.40   -0.35  0.04   
1 1 1 31 22 22 o 3.9201  1.3053 ?       ?         0.13   0.05   0.00   -0.00  
1 1 1 31 22 23 o 2.3938  1.2311 ?       ?         -0.00  0.17   -0.00  -0.00  
1 1 1 31 22 24 o 3.8013  0.9834 ?       ?         0.21   -0.28  -0.00  -0.00  
1 1 1 31 23 0  o 9.0719  0.4410 5.4971  179.800   -0.07  0.00   0.00   0.00   
1 1 1 31 23 1  o 11.432  0.2184 11.747  94.800    0.18   0.00   -0.01  -0.01  
1 1 1 31 23 2  o 24.930  0.1671 26.251  78.700    -0.34  0.82   -1.21  -0.84  
1 1 1 31 23 3  o 22.417  0.1423 21.244  -95.4000  0.35   0.65   -0.48  -0.44  
1 1 1 31 23 4  o 10.581  0.3078 10.312  -114.3000 -2.64  -1.76  -0.32  -0.54  
1 1 1 31 23 5  o 9.1706  0.2990 9.0014  -115.4000 1.31   1.46   0.06   -0.25  
1 1 1 31 23 6  o 13.581  0.2643 11.538  -1.9000   3.62   1.01   -0.69  -0.61  
1 1 1 31 23 7  o 16.724  0.2125 13.879  -144.8000 2.93   -1.48  -0.27  1.49   
1 1 1 31 23 8  o 13.701  0.1505 14.377  96.500    -0.67  2.07   0.49   1.10   
1 1 1 31 23 9  o 17.726  0.3769 15.843  -98.2000  -2.66  -2.16  -0.25  -0.42  
1 1 1 31 23 10 o 8.0250  0.1872 7.0142  110.700   -0.02  -0.13  -0.01  -0.03  
1 1 1 31 23 11 f 14.375  0.3391 15.177  0.1000    3.33   1.86   -0.04  -0.95  
1 1 1 31 23 12 o 3.3598  0.4281 2.4688  -70.6000  -0.01  -0.96  0.16   0.07   
1 1 1 31 23 13 o 15.344  0.1581 14.253  174.300   -0.76  0.46   0.57   -0.46  
1 1 1 31 23 14 o 19.001  0.3327 19.046  118.700   -5.30  2.08   -1.76  0.13   
1 1 1 31 23 15 o 3.7995  0.4336 2.4683  39.100    -0.29  -0.17  0.13   0.03   
1 1 1 31 23 16 f 9.9576  0.2246 11.421  135.200   -0.12  0.08   -0.00  -0.01  
1 1 1 31 23 17 o 4.5461  0.3955 4.3766  -5.2000   0.33   -0.57  -0.02  0.06   
1 1 1 31 23 18 o 4.1984  0.9338 5.1824  -96.9000  -0.17  -0.08  -0.00  -0.00  
1 1 1 31 23 19 o 6.0444  0.3767 7.5538  146.100   0.08   0.63   -0.07  -0.05  
1 1 1 31 23 20 o 2.8769  0.7084 ?       ?         0.35   -0.24  0.02   -0.04  
1 1 1 31 23 21 o 4.2531  1.5006 ?       ?         -0.06  0.52   0.00   0.01   
1 1 1 31 23 22 o 1.9185  0.9148 ?       ?         -0.15  0.10   0.00   -0.00  
1 1 1 31 23 23 o 9.4939  0.4982 ?       ?         -1.03  1.37   0.01   -0.03  
1 1 1 31 23 24 o 3.3036  0.9553 ?       ?         -0.19  -0.20  0.00   0.00   
1 1 1 31 24 0  o 6.5422  0.5091 3.9466  -179.6000 -0.00  0.00   0.00   0.00   
1 1 1 31 24 1  o 8.6650  0.3427 4.8148  -73.1000  -1.47  -0.39  -0.20  -0.20  
1 1 1 31 24 2  o 11.868  0.2139 15.542  96.000    1.31   0.98   0.11   -0.74  
1 1 1 31 24 3  o 13.826  0.1737 14.312  -1.6000   -0.21  -0.65  0.46   0.15   
1 1 1 31 24 4  o 12.020  0.3228 13.137  146.300   1.05   2.47   0.38   -0.26  
1 1 1 31 24 5  o 30.420  0.1748 29.636  -141.9000 0.13   0.34   -0.03  -0.05  
1 1 1 31 24 6  o 16.604  0.1182 15.679  -147.3000 -1.01  0.28   -0.13  0.45   
1 1 1 31 24 7  o 16.511  0.1293 17.413  -49.2000  0.47   -0.67  0.30   0.10   
1 1 1 31 24 8  o 13.346  0.1360 10.084  -136.3000 -0.84  -1.12  0.47   -0.35  
1 1 1 31 24 9  o 3.1188  0.7879 3.7502  -47.2000  1.43   0.54   -0.08  -0.08  
1 1 1 31 24 10 o 5.0328  0.2960 3.5713  -48.6000  -1.31  -0.56  -0.12  -0.30  
1 1 1 31 24 11 o 19.269  0.1536 18.903  -76.8000  0.11   -1.92  0.32   -0.75  
1 1 1 31 24 12 o 13.535  0.2180 15.752  135.100   -4.06  -0.57  -1.18  -1.90  
1 1 1 31 24 13 o 2.0965  0.9837 3.6220  -130.1000 -0.70  0.33   -0.05  0.16   
1 1 1 31 24 14 o 8.4253  0.2336 9.1281  130.500   -0.67  0.27   0.01   0.10   
1 1 1 31 24 15 o 9.7760  0.2251 10.242  -171.1000 -0.55  -0.80  0.29   0.10   
1 1 1 31 24 16 o 3.5720  0.9817 3.1226  63.600    1.37   0.16   -0.09  -0.06  
1 1 1 31 24 17 o 6.6754  0.3271 6.7610  154.900   -0.19  0.07   -0.00  -0.01  
1 1 1 31 24 18 o 5.7293  0.4105 3.8504  -57.9000  0.13   0.01   0.00   -0.00  
1 1 1 31 24 19 o 3.6803  0.6137 4.3991  164.700   -0.29  0.27   -0.01  -0.03  
1 1 1 31 24 20 o 4.0694  0.6617 ?       ?         0.33   -0.19  0.00   -0.02  
1 1 1 31 24 21 o 8.8480  0.4142 ?       ?         -0.80  0.96   -0.04  -0.04  
1 1 1 31 24 22 o 6.7018  0.5340 ?       ?         0.65   0.06   0.02   0.01   
1 1 1 31 24 23 o 8.2725  0.9019 ?       ?         -2.23  2.83   -0.12  -0.01  
1 1 1 31 25 0  o 0.0000  2.5495 5.9727  0.1000    0.01   0.00   0.00   0.00   
1 1 1 31 25 1  o 37.385  0.2662 35.179  -56.6000  0.95   -1.02  0.23   -0.68  
1 1 1 31 25 2  o 12.887  0.5441 11.930  -111.9000 0.28   -1.61  0.07   0.01   
1 1 1 31 25 3  o 10.232  0.2580 10.853  30.200    1.37   0.41   -0.55  -0.06  
1 1 1 31 25 4  o 9.9162  0.3001 10.257  176.400   -3.97  1.03   -1.25  1.17   
1 1 1 31 25 5  o 12.133  0.1131 8.7591  40.500    0.43   0.03   -0.06  -0.06  
1 1 1 31 25 6  o 12.601  0.1124 12.346  -101.8000 0.21   0.01   0.08   -0.13  
1 1 1 31 25 7  o 14.376  0.3439 10.285  -46.9000  1.39   -8.17  3.11   0.34   
1 1 1 31 25 8  o 6.9077  0.2837 7.7607  -118.7000 -0.90  -0.87  0.02   -0.13  
1 1 1 31 25 9  o 3.3129  0.3309 3.3498  157.900   0.16   -0.16  0.11   0.05   
1 1 1 31 25 10 o 10.507  0.8215 9.7982  57.500    2.15   7.03   0.45   -0.42  
1 1 1 31 25 11 o 13.839  0.2384 12.855  -132.8000 -0.57  0.23   -0.04  0.00   
1 1 1 31 25 12 o 4.4182  0.3430 3.4555  -158.8000 0.14   -0.19  0.03   0.01   
1 1 1 31 25 13 o 15.942  0.1686 15.731  121.000   -0.66  0.79   -0.47  -0.18  
1 1 1 31 25 14 o 11.161  0.1998 8.8950  -104.4000 -0.43  0.61   0.16   -0.05  
1 1 1 31 25 15 o 3.1188  0.4891 1.0722  36.800    -0.17  0.32   0.07   -0.05  
1 1 1 31 25 16 o 5.0089  0.5196 2.9608  42.400    0.44   -0.05  -0.01  0.01   
1 1 1 31 25 17 o 7.5882  0.2828 8.9809  123.300   -0.58  0.00   0.02   -0.07  
1 1 1 31 25 18 o 7.4803  0.3508 7.6688  -61.2000  0.44   -0.41  0.02   -0.07  
1 1 1 31 25 19 o 8.5414  0.4302 7.7535  -117.0000 -2.28  -1.13  -0.33  0.17   
1 1 1 31 25 20 o 1.5746  1.1132 ?       ?         0.06   0.24   -0.01  -0.00  
1 1 1 31 25 21 o 6.0371  0.5374 ?       ?         -0.02  -0.21  -0.00  0.00   
1 1 1 31 25 22 o 4.1667  0.7588 ?       ?         0.34   0.22   0.00   0.01   
1 1 1 31 25 23 o 3.0772  0.9008 ?       ?         -0.09  0.53   -0.01  -0.00  
1 1 1 31 26 0  o 4.4045  0.5687 4.5981  0.2000    -0.03  0.00   0.00   0.00   
1 1 1 31 26 1  o 20.439  0.2891 22.688  -145.0000 -3.02  0.36   -0.78  -0.15  
1 1 1 31 26 2  o 26.768  0.2093 26.753  -85.2000  -0.47  -1.31  -1.65  -0.26  
1 1 1 31 26 3  o 7.9305  0.3125 10.545  177.200   -0.19  0.12   -0.05  -0.17  
1 1 1 31 26 4  o 9.2293  0.5075 8.5467  -72.4000  -3.09  -1.94  -0.14  -0.49  
1 1 1 31 26 5  o 14.395  0.1387 11.625  -123.2000 -0.99  0.40   -0.07  0.27   
1 1 1 31 26 6  o 17.806  0.1220 18.428  -110.3000 1.81   -2.57  -2.05  3.41   
1 1 1 31 26 7  o 5.6351  0.1811 4.7655  -98.1000  -0.25  -0.03  -0.12  0.15   
1 1 1 31 26 8  o 3.7184  0.2939 4.5883  98.400    -0.12  0.94   0.13   0.07   
1 1 1 31 26 9  o 3.5965  0.5969 3.6328  161.100   -1.86  -0.43  -0.19  -0.05  
1 1 1 31 26 10 o 9.9568  0.2827 8.4773  -44.2000  1.01   -3.71  1.31   0.13   
1 1 1 31 26 11 o 18.138  0.1448 16.185  -30.4000  1.08   0.71   0.47   -0.19  
1 1 1 31 26 12 o 19.538  0.1604 22.033  -150.5000 0.21   -1.88  -0.95  1.04   
1 1 1 31 26 13 f 11.560  0.1860 13.932  49.800    -1.31  0.35   -0.25  -0.59  
1 1 1 31 26 14 o 6.5718  0.2779 7.7709  87.700    -0.82  1.03   -0.68  0.27   
1 1 1 31 26 15 o 3.6878  0.4610 3.0381  -93.7000  0.14   0.14   0.00   0.03   
1 1 1 31 26 16 o 17.457  0.2855 18.318  -91.6000  0.47   0.43   0.03   -0.00  
1 1 1 31 26 17 o 6.3112  0.3239 6.0633  177.500   0.02   -0.36  0.01   -0.02  
1 1 1 31 26 18 o 4.4978  0.6245 4.4513  151.100   -0.81  0.62   -0.07  0.02   
1 1 1 31 26 19 o 3.8022  0.9623 3.6532  -47.3000  -0.29  0.32   0.01   0.01   
1 1 1 31 26 20 o 4.2581  0.7189 ?       ?         -0.20  -0.02  0.00   0.00   
1 1 1 31 26 21 o 4.1304  1.3137 ?       ?         0.50   0.21   -0.01  0.01   
1 1 1 31 26 22 o 3.8390  0.8370 ?       ?         -0.15  -0.03  0.00   -0.00  
1 1 1 31 26 23 o 3.6112  1.1482 ?       ?         -0.94  0.41   0.02   -0.00  
1 1 1 31 27 0  f 23.565  0.3491 20.728  -0.1000   0.10   0.00   0.00   0.00   
1 1 1 31 27 1  o 21.317  0.2057 20.175  130.000   -0.69  0.12   0.48   0.03   
1 1 1 31 27 2  o 11.002  0.3181 12.442  128.900   -1.38  3.36   0.57   1.39   
1 1 1 31 27 3  o 25.062  0.2205 27.080  167.100   -0.95  0.26   0.22   0.29   
1 1 1 31 27 4  o 8.0064  0.7777 9.1673  87.600    1.67   3.38   0.18   -0.34  
1 1 1 31 27 5  o 14.803  0.1554 15.697  82.300    -0.51  0.12   0.38   -0.52  
1 1 1 31 27 6  o 6.9065  0.3531 9.4164  -50.6000  -2.80  -3.54  0.33   -0.84  
1 1 1 31 27 7  o 4.6532  0.2940 4.3782  45.700    -0.19  0.99   0.11   0.02   
1 1 1 31 27 8  o 13.347  0.2194 11.526  -31.1000  0.18   -2.90  0.88   -0.33  
1 1 1 31 27 9  o 22.466  0.1928 20.381  86.300    -0.76  3.69   -0.09  1.84   
1 1 1 31 27 10 o 10.816  0.1765 14.347  -168.7000 -1.49  -0.08  -0.37  0.25   
1 1 1 31 27 11 o 22.531  0.3731 19.826  112.100   -1.62  0.83   -0.13  0.04   
1 1 1 31 27 12 f 12.918  0.3025 12.383  12.900    1.79   1.96   0.38   -0.41  
1 1 1 31 27 13 o 9.0210  0.2059 7.7277  -0.5000   0.82   -0.67  -0.25  0.07   
1 1 1 31 27 14 o 1.9523  0.6498 0.8533  5.3000    -0.23  0.02   0.02   0.06   
1 1 1 31 27 15 o 5.2484  0.3481 5.7106  82.900    -0.13  0.23   -0.02  -0.05  
1 1 1 31 27 16 o 9.1931  0.2241 9.2706  -77.5000  0.64   -0.71  -0.18  0.00   
1 1 1 31 27 17 o 8.8237  0.2956 8.2998  -122.8000 -0.39  -0.56  -0.00  0.09   
1 1 1 31 27 18 o 8.9703  0.3045 8.7284  -72.6000  0.61   0.22   0.00   0.05   
1 1 1 31 27 19 o 3.7687  1.3528 ?       ?         0.03   0.37   0.00   0.01   
1 1 1 31 27 20 o 10.329  0.6468 ?       ?         -0.48  -0.63  0.01   0.01   
1 1 1 31 27 21 o 3.3064  0.9018 ?       ?         -0.21  -0.27  -0.01  0.00   
1 1 1 31 27 22 o 2.3156  1.0293 ?       ?         0.70   -0.43  0.00   -0.03  
1 1 1 31 27 23 o 5.8180  1.0419 ?       ?         0.37   -0.38  0.00   -0.00  
1 1 1 31 28 0  o 38.190  0.3849 33.401  180.000   -1.35  0.00   0.00   0.00   
1 1 1 31 28 1  o 11.755  0.2421 9.4066  163.700   -0.11  0.47   0.10   -0.06  
1 1 1 31 28 2  o 11.598  0.2712 12.781  102.800   -0.62  0.45   -0.17  0.08   
1 1 1 31 28 3  f 27.280  0.3080 28.466  157.800   -0.45  -0.37  -0.03  -0.01  
1 1 1 31 28 4  o 4.2261  0.4391 7.1921  84.600    0.07   0.35   0.09   0.03   
1 1 1 31 28 5  o 6.2953  0.1711 8.3424  85.100    -0.23  -0.29  0.35   -0.04  
1 1 1 31 28 6  o 11.790  0.1930 12.480  155.600   -1.12  3.40   1.39   0.41   
1 1 1 31 28 7  o 7.8382  0.1434 5.7662  -150.8000 -0.51  0.00   -0.16  0.30   
1 1 1 31 28 8  o 5.1090  0.2170 8.2762  -173.5000 0.23   0.33   -0.57  0.07   
1 1 1 31 28 9  o 5.4371  0.2429 5.5889  114.500   -0.13  0.16   -0.10  -0.11  
1 1 1 31 28 10 o 10.490  0.1686 12.085  71.100    1.23   1.98   1.17   -0.35  
1 1 1 31 28 11 o 9.5003  0.2243 6.6150  -99.2000  -0.13  0.54   -0.04  -0.32  
1 1 1 31 28 12 o 2.4428  0.5033 3.2419  52.400    0.05   -0.09  -0.03  -0.00  
1 1 1 31 28 13 o 14.134  0.1798 14.104  2.2000    1.17   0.78   0.42   0.58   
1 1 1 31 28 14 o 13.111  0.1920 13.546  -81.2000  0.88   0.06   0.25   0.03   
1 1 1 31 28 15 f 2.2818  0.6212 2.4515  117.900   -0.11  -0.14  -0.01  0.03   
1 1 1 31 28 16 o 11.539  0.2382 12.413  -124.4000 -0.40  -0.36  -0.03  0.00   
1 1 1 31 28 17 o 4.6656  0.4833 6.4544  -100.9000 0.06   -0.49  -0.02  0.03   
1 1 1 31 28 18 o 8.0255  0.3251 8.8424  134.000   -0.94  0.81   0.08   -0.21  
1 1 1 31 28 19 o 8.0032  0.4401 ?       ?         0.72   0.02   0.03   -0.01  
1 1 1 31 28 20 o 2.5930  1.2321 ?       ?         -0.08  0.07   -0.00  -0.00  
1 1 1 31 28 21 o 9.0153  0.5187 ?       ?         -1.42  1.38   0.07   -0.05  
1 1 1 31 28 22 o 9.9658  0.4395 ?       ?         -1.53  -2.46  -0.00  0.08   
1 1 1 31 29 0  o 11.524  0.3616 10.041  0.1000    -0.01  0.00   0.00   0.00   
1 1 1 31 29 1  o 17.259  0.2496 11.316  101.000   -0.10  1.17   0.10   0.37   
1 1 1 31 29 2  o 3.7210  0.4828 3.7873  11.500    -0.15  -0.09  -0.06  0.02   
1 1 1 31 29 3  o 5.0131  0.4585 1.6096  -139.6000 0.60   -0.37  -0.07  0.05   
1 1 1 31 29 4  o 4.2030  0.5081 6.5944  -111.1000 -0.36  0.19   -0.08  0.01   
1 1 1 31 29 5  o 10.886  0.1860 10.266  44.900    -1.92  -0.41  -0.34  -0.72  
1 1 1 31 29 6  o 10.351  0.1169 8.5628  -23.2000  0.04   0.42   -0.52  -0.08  
1 1 1 31 29 7  o 10.136  0.1423 10.602  123.600   -0.01  -1.12  0.10   1.04   
1 1 1 31 29 8  o 22.897  0.1968 23.817  79.800    -0.92  1.62   -0.24  0.32   
1 1 1 31 29 9  o 3.4219  0.3710 4.6305  -61.5000  -0.07  0.04   -0.00  0.00   
1 1 1 31 29 10 o 9.6168  0.2847 7.9496  -157.7000 -2.78  1.20   -0.70  0.27   
1 1 1 31 29 11 o 6.3198  0.2300 6.5097  179.800   -0.39  0.35   -0.24  -0.50  
1 1 1 31 29 12 o 1.7912  0.6020 2.4347  119.100   0.00   -0.14  -0.06  -0.02  
1 1 1 31 29 13 o 12.280  0.1861 11.206  167.000   -1.56  0.36   0.16   0.39   
1 1 1 31 29 14 o 5.4586  0.3847 4.9854  -125.5000 0.54   -0.24  -0.04  0.00   
1 1 1 31 29 15 o 14.351  0.1926 12.130  -175.8000 0.85   -1.07  0.13   -0.24  
1 1 1 31 29 16 f 2.4382  0.6663 2.9420  -76.5000  0.24   -0.32  -0.07  -0.02  
1 1 1 31 29 17 o 7.8758  0.7577 8.2876  48.700    0.94   2.16   0.15   -0.01  
1 1 1 31 29 18 o 5.9505  0.3993 5.7359  -119.3000 -0.40  -0.42  -0.03  0.00   
1 1 1 31 29 19 o 7.6317  0.4934 ?       ?         0.79   0.21   -0.01  0.02   
1 1 1 31 29 20 o 4.2025  1.5643 ?       ?         -0.51  -0.64  0.03   0.00   
1 1 1 31 29 21 o 10.274  0.4180 ?       ?         -1.12  1.50   -0.04  -0.04  
1 1 1 31 29 22 o 3.2618  0.8935 ?       ?         -0.40  0.57   -0.01  -0.01  
1 1 1 31 30 0  o 14.290  0.2712 13.391  -180.0000 -0.44  0.00   0.00   0.00   
1 1 1 31 30 1  o 19.780  0.1995 20.542  -105.6000 -0.42  -1.35  0.39   0.57   
1 1 1 31 30 2  o 5.6166  0.4674 6.0367  163.800   -2.50  -0.72  -0.42  -0.65  
1 1 1 31 30 3  o 6.3215  0.3853 4.2142  -148.9000 0.31   -1.37  0.61   -0.24  
1 1 1 31 30 4  o 6.6231  0.3104 7.6660  -137.5000 -0.30  0.03   -0.04  -0.06  
1 1 1 31 30 5  o 7.7654  0.3743 7.4467  -15.3000  0.43   2.05   0.94   0.54   
1 1 1 31 30 6  o 11.121  0.1332 11.627  34.900    2.59   -1.78  2.40   2.93   
1 1 1 31 30 7  o 9.5454  0.2663 6.7959  73.200    0.42   2.76   0.45   -0.34  
1 1 1 31 30 8  f 12.311  0.1304 9.5269  41.500    0.74   0.14   -0.15  0.37   
1 1 1 31 30 9  o 7.3447  0.1935 9.6489  73.200    -0.08  0.31   -0.11  -0.18  
1 1 1 31 30 10 o 19.664  0.1496 20.779  165.100   -0.58  0.25   0.17   -0.09  
1 1 1 31 30 11 o 12.004  0.1665 11.186  80.200    -0.56  0.77   -0.24  -0.42  
1 1 1 31 30 12 o 9.1299  0.2108 7.7277  19.800    0.11   -0.16  -0.02  -0.00  
1 1 1 31 30 13 o 14.322  0.1738 13.165  108.500   -0.44  0.72   -0.14  -0.00  
1 1 1 31 30 14 o 11.323  0.2017 7.7864  12.100    0.60   -0.93  -0.23  -0.05  
1 1 1 31 30 15 o 7.4402  0.2771 7.6606  -165.1000 0.03   -0.00  0.00   -0.00  
1 1 1 31 30 16 o 9.0648  0.5969 9.1933  103.300   1.12   -0.23  -0.01  0.04   
1 1 1 31 30 17 o 6.7670  0.3762 6.0279  -170.4000 -0.07  -0.70  -0.05  0.04   
1 1 1 31 30 18 o 10.450  0.3490 ?       ?         0.47   -0.25  0.01   -0.00  
1 1 1 31 30 19 o 4.9574  0.6159 ?       ?         0.33   0.34   0.01   0.01   
1 1 1 31 30 20 o 6.2990  0.5665 ?       ?         -1.01  0.28   0.02   -0.02  
1 1 1 31 30 21 o 5.5451  0.6031 ?       ?         -1.07  0.14   0.02   0.02   
1 1 1 31 30 22 o 2.6362  1.2628 ?       ?         -0.33  -0.04  0.00   -0.00  
1 1 1 31 31 0  o 29.314  0.7336 24.033  -180.0000 -0.94  0.00   0.00   0.00   
1 1 1 31 31 1  o 2.0494  0.9642 4.1899  -90.1000  -0.00  -0.04  0.00   0.00   
1 1 1 31 31 2  o 5.6125  0.5713 4.6038  179.800   -0.26  0.00   0.00   0.00   
1 1 1 31 31 3  o 1.5166  0.9676 2.1206  89.900    0.00   0.03   0.00   0.00   
1 1 1 31 31 4  o 0.0000  2.6268 0.3227  -179.3000 0.10   0.00   0.00   0.00   
1 1 1 31 31 5  o 1.1832  1.1175 2.4799  90.100    0.00   0.03   0.00   0.00   
1 1 1 31 31 6  o 1.8166  0.5497 0.3643  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 31 31 7  f 8.0000  0.1773 8.4978  90.000    -0.00  -0.09  0.00   0.00   
1 1 1 31 31 8  o 7.7201  0.2386 8.3183  0.0000    0.15   0.00   0.00   0.00   
1 1 1 31 31 9  f 7.4699  0.2835 9.6339  90.000    0.00   0.08   0.00   0.00   
1 1 1 31 31 10 o 11.371  0.2326 11.699  -0.0000   0.59   0.00   0.00   0.00   
1 1 1 31 31 11 o 6.3797  0.3698 4.6193  90.000    -0.00  -0.26  0.00   0.00   
1 1 1 31 31 12 o 2.3664  0.7421 1.4315  180.000   -0.10  0.00   0.00   0.00   
1 1 1 31 31 13 o 0.0000  2.1909 1.1209  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 31 31 14 o 4.7958  0.4895 6.5662  -0.0000   0.17   0.00   0.00   0.00   
1 1 1 31 31 15 o 8.6487  0.3711 7.0687  90.000    0.00   0.33   0.00   0.00   
1 1 1 31 31 16 o 12.669  0.3344 13.128  0.0000    0.43   0.00   0.00   0.00   
1 1 1 31 31 17 o 5.9749  0.5496 6.9888  90.000    0.00   0.02   0.00   0.00   
1 1 1 31 31 18 o 3.3764  0.9854 ?       ?         -0.14  0.00   0.00   0.00   
1 1 1 31 31 19 o 6.3246  0.7070 ?       ?         0.00   0.57   0.00   0.00   
1 1 1 31 31 20 o 6.3008  0.7660 ?       ?         0.50   0.00   0.00   0.00   
1 1 1 31 31 21 o 6.0000  0.8277 ?       ?         0.00   0.26   0.00   0.00   
1 1 1 32 0  0  o 29.252  0.3145 41.097  180.000   0.05   0.00   0.00   0.00   
1 1 1 32 0  1  o 31.034  0.2351 34.873  -44.9000  -0.16  0.16   0.00   0.00   
1 1 1 32 0  2  o 32.722  0.2306 42.222  90.000    0.00   0.12   0.00   0.00   
1 1 1 32 0  3  o 28.799  0.2445 28.490  45.000    -0.10  -0.10  0.00   0.00   
1 1 1 32 0  4  o 10.649  0.2387 11.168  179.900   -0.05  0.00   0.00   0.00   
1 1 1 32 0  5  o 9.1104  0.2092 9.7824  -44.6000  0.07   -0.07  0.00   0.00   
1 1 1 32 0  6  o 21.811  0.1931 24.847  90.100    -0.00  -0.11  0.00   0.00   
1 1 1 32 0  7  o 6.1806  0.3079 6.5992  45.100    0.10   0.10   0.00   0.00   
1 1 1 32 0  8  o 24.364  0.2197 24.208  180.000   -0.03  0.00   0.00   0.00   
1 1 1 32 0  9  o 5.5946  0.3366 2.8368  -44.2000  0.01   -0.01  0.00   0.00   
1 1 1 32 0  10 f 9.5917  0.2834 12.255  -90.1000  -0.00  -0.09  0.00   0.00   
1 1 1 32 0  11 o 3.7815  0.4984 5.6488  -135.2000 -0.01  -0.01  0.00   0.00   
1 1 1 32 0  12 o 13.849  0.2482 12.607  0.0000    0.05   0.00   0.00   0.00   
1 1 1 32 0  13 o 5.3479  0.3830 12.991  135.000   -0.02  0.02   0.00   0.00   
1 1 1 32 0  14 o 23.520  0.2274 17.910  90.000    0.00   0.95   0.00   0.00   
1 1 1 32 0  15 o 9.5864  0.3081 9.4084  -135.0000 -0.25  -0.25  0.00   0.00   
1 1 1 32 0  16 o 6.7007  0.4073 6.6442  0.0000    0.02   0.00   0.00   0.00   
1 1 1 32 0  17 o 15.050  0.2836 12.786  135.000   -0.06  0.06   0.00   0.00   
1 1 1 32 0  18 o 8.3367  0.3838 7.1567  90.000    -0.00  -0.19  0.00   0.00   
1 1 1 32 0  19 o 4.3128  0.5869 3.7799  -135.0000 0.02   0.02   0.00   0.00   
1 1 1 32 0  20 o 9.0167  0.3674 8.4142  0.0000    -0.53  0.00   0.00   0.00   
1 1 1 32 0  21 o 5.5767  0.5743 7.6073  135.000   -0.18  0.18   0.00   0.00   
1 1 1 32 0  22 o 6.0083  0.5609 7.4162  -90.0000  0.00   0.11   0.00   0.00   
1 1 1 32 0  23 o 7.0922  0.6908 ?       ?         0.18   0.18   0.00   0.00   
1 1 1 32 0  24 f 4.9900  1.0007 ?       ?         0.08   0.00   0.00   0.00   
1 1 1 32 1  0  o 17.079  0.2111 20.524  179.900   -0.11  0.00   0.00   0.00   
1 1 1 32 1  1  o 13.378  0.1395 18.367  115.100   -0.39  0.24   -0.08  0.09   
1 1 1 32 1  2  o 8.7710  0.7651 5.0597  -177.3000 -24.55 -7.60  -6.75  -4.37  
1 1 1 32 1  3  o 14.332  0.2849 10.841  -50.4000  4.90   0.84   -1.99  -0.47  
1 1 1 32 1  4  o 15.522  0.5097 16.893  86.300    -8.23  4.55   -1.83  2.39   
1 1 1 32 1  5  o 34.227  0.2503 41.868  -21.5000  0.51   0.80   0.11   -0.09  
1 1 1 32 1  6  o 32.134  0.1618 32.600  -143.3000 -0.21  -1.23  1.52   1.88   
1 1 1 32 1  7  o 23.040  0.3297 12.840  38.200    2.91   2.64   0.19   -1.24  
1 1 1 32 1  8  o 1.0943  0.6615 4.3165  -126.8000 0.13   -0.47  0.12   0.09   
1 1 1 32 1  9  o 25.845  0.2004 29.976  162.100   -0.31  -0.63  0.02   -0.09  
1 1 1 32 1  10 o 22.938  0.2990 22.719  70.600    2.89   1.21   -0.71  -0.40  
1 1 1 32 1  11 o 14.525  0.1455 12.051  -1.5000   0.04   -0.47  0.17   0.29   
1 1 1 32 1  12 f 11.307  0.1704 12.289  72.600    0.41   0.55   -0.06  -0.24  
1 1 1 32 1  13 o 7.0736  0.2282 3.8259  -143.1000 -1.46  1.46   0.44   1.29   
1 1 1 32 1  14 o 17.524  0.1695 11.899  28.500    -0.07  0.40   0.00   0.08   
1 1 1 32 1  15 o 13.556  0.3990 12.989  -9.8000   2.47   -1.64  -0.01  0.50   
1 1 1 32 1  16 o 8.4659  0.5391 7.9631  -131.0000 -0.77  -1.56  0.05   -0.11  
1 1 1 32 1  17 o 3.5707  0.4653 4.1335  84.200    0.17   0.19   0.05   -0.02  
1 1 1 32 1  18 o 11.863  0.2043 12.815  60.200    -0.01  0.24   -0.03  -0.02  
1 1 1 32 1  19 o 7.5407  0.2925 8.3330  121.900   -0.79  0.67   -0.53  -0.14  
1 1 1 32 1  20 o 10.014  0.2369 11.201  52.800    0.03   0.25   0.00   0.01   
1 1 1 32 1  21 o 6.1528  0.5566 6.9099  57.800    1.23   -0.05  -0.07  0.08   
1 1 1 32 1  22 o 3.3348  0.5966 2.9873  -4.9000   0.11   0.19   -0.02  0.00   
1 1 1 32 1  23 o 14.694  0.2874 ?       ?         -2.29  0.07   0.17   -0.23  
1 1 1 32 1  24 o 2.1832  1.1838 ?       ?         -0.03  -0.05  -0.00  0.00   
1 1 1 32 2  0  f 33.053  0.2284 27.017  0.0000    -0.00  0.00   0.00   0.00   
1 1 1 32 2  1  o 30.013  0.2274 38.392  96.300    -0.24  2.63   1.13   -0.22  
1 1 1 32 2  2  o 39.152  0.1872 38.800  47.800    -0.01  0.84   0.13   0.77   
1 1 1 32 2  3  o 28.958  0.1727 25.554  21.100    0.78   0.18   3.14   1.36   
1 1 1 32 2  4  o 35.691  0.4958 35.211  -52.9000  10.40  -1.32  -4.73  -0.07  
1 1 1 32 2  5  o 24.435  0.4191 19.931  -32.5000  1.70   -8.47  3.72   0.81   
1 1 1 32 2  6  o 9.3383  0.1523 9.7602  -1.9000   0.47   0.84   0.23   -0.27  
1 1 1 32 2  7  o 25.260  0.1755 23.565  -23.8000  1.87   -0.09  -0.86  -0.36  
1 1 1 32 2  8  o 28.684  0.2118 26.183  38.300    3.36   -0.25  -1.80  1.41   
1 1 1 32 2  9  o 26.429  0.4490 26.352  165.800   -4.07  0.98   -0.61  0.19   
1 1 1 32 2  10 o 32.522  0.6334 34.201  -110.8000 4.81   -9.90  1.14   2.34   
1 1 1 32 2  11 f 11.687  0.3665 11.502  -86.1000  -3.25  -4.16  0.46   -1.20  
1 1 1 32 2  12 o 24.331  0.2341 26.396  -123.1000 0.24   -2.01  0.39   0.43   
1 1 1 32 2  13 o 5.3264  0.4924 5.4543  -20.3000  0.70   -1.74  0.13   0.16   
1 1 1 32 2  14 o 13.191  0.1611 13.187  94.300    -0.24  0.95   0.42   -0.16  
1 1 1 32 2  15 o 18.072  0.1634 17.834  170.700   0.34   0.28   -0.00  0.17   
1 1 1 32 2  16 o 8.7259  0.2215 6.2801  49.100    -0.05  -0.36  0.02   -0.06  
1 1 1 32 2  17 f 7.8862  0.2478 8.2525  152.000   -0.27  -0.05  -0.02  0.01   
1 1 1 32 2  18 o 12.196  0.5280 12.087  -75.7000  1.13   -3.83  0.53   0.08   
1 1 1 32 2  19 f 5.6443  0.4917 5.4906  -46.7000  0.52   -1.11  0.02   0.11   
1 1 1 32 2  20 o 7.1800  0.3020 7.9652  -62.3000  0.00   0.16   -0.00  0.01   
1 1 1 32 2  21 f 9.9904  0.2724 9.7585  65.700    0.55   0.56   -0.08  -0.01  
1 1 1 32 2  22 o 7.7931  0.3261 7.9831  1.3000    1.37   -0.10  -0.02  -0.27  
1 1 1 32 2  23 o 6.2430  0.4764 ?       ?         0.40   0.11   -0.00  0.02   
1 1 1 32 2  24 o 2.4076  1.2362 ?       ?         -0.05  0.09   -0.00  -0.00  
1 1 1 32 3  0  o 32.360  0.2377 34.468  0.0000    -0.46  0.00   0.00   0.00   
1 1 1 32 3  1  o 20.341  0.4602 16.647  101.400   2.49   6.15   0.97   -1.17  
1 1 1 32 3  2  o 15.822  0.7137 16.270  -69.5000  17.60  -6.36  -3.50  2.65   
1 1 1 32 3  3  o 31.152  0.3671 23.660  144.900   -0.63  3.12   0.60   0.11   
1 1 1 32 3  4  o 14.427  0.2815 13.782  15.000    4.20   3.54   -0.06  -3.25  
1 1 1 32 3  5  o 23.801  0.5982 24.128  -22.0000  3.08   2.93   -0.08  -0.45  
1 1 1 32 3  6  o 43.641  0.2042 41.443  158.200   -1.33  0.15   -0.24  0.31   
1 1 1 32 3  7  o 9.3755  0.1552 5.4475  -95.5000  -0.03  0.06   -0.07  0.05   
1 1 1 32 3  8  o 31.597  0.2600 27.203  -70.5000  0.17   -0.12  0.00   0.01   
1 1 1 32 3  9  o 25.782  0.1505 26.896  13.000    0.42   0.21   0.46   -0.32  
1 1 1 32 3  10 o 7.3206  0.3617 4.3894  141.000   0.13   2.86   0.62   0.00   
1 1 1 32 3  11 o 21.850  0.2005 22.420  -4.1000   1.58   -2.31  -0.03  1.14   
1 1 1 32 3  12 o 18.515  0.7029 22.823  -78.2000  -0.74  -3.76  0.24   -0.06  
1 1 1 32 3  13 o 4.2459  0.5811 3.5803  -87.3000  1.62   1.73   0.06   -0.33  
1 1 1 32 3  14 o 10.748  0.2051 11.357  86.300    0.97   1.15   -0.15  -0.44  
1 1 1 32 3  15 o 7.5328  0.2458 8.1350  -78.5000  0.43   0.85   -0.07  -0.43  
1 1 1 32 3  16 f 11.679  0.1796 9.4681  -48.3000  -0.10  -0.19  -0.04  0.07   
1 1 1 32 3  17 o 8.4953  0.3152 9.3681  -6.2000   -0.72  -0.54  0.01   -0.09  
1 1 1 32 3  18 f 11.111  0.2160 9.9958  -33.9000  0.53   0.61   -0.28  0.43   
1 1 1 32 3  19 o 3.5278  0.5274 4.5496  1.1000    0.19   0.01   0.04   0.02   
1 1 1 32 3  20 o 8.8308  0.2470 8.5175  -31.1000  0.65   -0.41  0.27   -0.04  
1 1 1 32 3  21 o 6.7244  0.3476 7.6755  -129.9000 -0.29  -0.45  -0.02  0.13   
1 1 1 32 3  22 o 4.3074  0.4982 4.3573  141.800   0.17   -0.18  -0.01  0.00   
1 1 1 32 3  23 o 1.3809  1.1254 ?       ?         0.06   -0.06  0.00   -0.00  
1 1 1 32 3  24 o 4.1172  1.0930 ?       ?         -0.12  -0.58  -0.02  -0.01  
1 1 1 32 3  25 o 0.0000  4.4944 ?       ?         0.07   0.49   0.00   0.00   
1 1 1 32 4  0  o 31.276  0.2820 23.391  -0.1000   0.25   0.00   0.00   0.00   
1 1 1 32 4  1  o 38.817  0.3220 36.910  -26.9000  2.03   -0.07  -0.33  0.16   
1 1 1 32 4  2  o 20.089  0.1747 8.4188  -79.4000  -2.36  -2.17  -0.86  -2.29  
1 1 1 32 4  3  o 22.230  0.1284 22.253  -69.2000  -1.01  -0.85  -0.68  -0.88  
1 1 1 32 4  4  o 11.791  0.1454 10.313  31.700    0.13   0.36   0.04   -0.05  
1 1 1 32 4  5  f 24.355  0.1490 21.347  161.100   -1.20  -0.82  0.18   -0.96  
1 1 1 32 4  6  o 21.169  0.2478 21.861  -61.4000  1.22   0.53   -0.11  -0.19  
1 1 1 32 4  7  o 6.4395  0.2709 3.2568  107.000   2.32   -2.37  -0.13  1.56   
1 1 1 32 4  8  o 35.577  0.4731 34.079  -114.9000 0.75   -5.17  0.90   0.56   
1 1 1 32 4  9  o 14.903  0.1650 16.552  -147.9000 0.45   -0.04  -0.19  0.21   
1 1 1 32 4  10 o 24.668  0.2089 24.284  115.100   -3.32  -0.89  -1.02  -1.56  
1 1 1 32 4  11 o 12.379  0.4610 10.894  146.400   -6.72  4.13   -0.98  1.52   
1 1 1 32 4  12 o 11.360  0.2479 12.148  -141.7000 -0.03  -0.23  0.01   0.00   
1 1 1 32 4  13 o 21.829  0.4343 20.651  -139.5000 -6.13  1.28   -1.17  0.98   
1 1 1 32 4  14 o 5.6898  0.3830 5.9328  -120.2000 -2.56  -0.53  -0.61  -0.12  
1 1 1 32 4  15 f 7.1551  0.2445 6.6246  -177.9000 -0.61  0.07   -0.09  -0.02  
1 1 1 32 4  16 f 11.887  0.1853 7.8141  -69.1000  -0.19  0.12   0.06   -0.02  
1 1 1 32 4  17 o 8.7061  0.2148 9.1572  -167.5000 -0.13  -0.14  0.03   0.07   
1 1 1 32 4  18 f 5.3754  0.3299 6.6197  -94.5000  -0.17  -0.12  -0.03  0.00   
1 1 1 32 4  19 o 9.1125  0.4915 10.115  -54.8000  0.27   -2.48  0.21   0.17   
1 1 1 32 4  20 o 6.4299  0.3452 6.3370  -98.8000  0.32   -0.31  0.03   -0.13  
1 1 1 32 4  21 o 7.7747  0.6092 8.1352  92.500    -0.27  1.10   0.06   -0.01  
1 1 1 32 4  22 o 8.7325  0.2990 7.9450  -34.0000  0.54   -0.20  0.05   0.03   
1 1 1 32 4  23 o 8.7361  0.3508 ?       ?         -0.06  -0.19  -0.01  0.00   
1 1 1 32 4  24 o 2.8712  1.3986 ?       ?         -0.02  0.06   -0.00  0.00   
1 1 1 32 4  25 f 4.7854  1.5853 ?       ?         -0.10  0.48   0.00   0.00   
1 1 1 32 5  0  o 36.111  0.2598 34.419  -179.9000 0.13   0.00   0.00   0.00   
1 1 1 32 5  1  o 29.861  0.5629 24.984  -72.4000  -5.50  -12.31 3.53   -2.98  
1 1 1 32 5  2  o 6.1753  0.2505 3.4974  -16.2000  0.15   -2.34  0.73   0.14   
1 1 1 32 5  3  o 46.598  0.4295 43.463  59.000    1.59   0.31   -0.11  -0.13  
1 1 1 32 5  4  o 16.095  0.3035 18.488  -146.1000 -5.78  -0.50  -3.10  -0.05  
1 1 1 32 5  5  o 15.545  0.3057 12.616  -39.1000  3.55   2.54   -0.31  -1.67  
1 1 1 32 5  6  o 36.439  0.1727 31.339  20.300    0.01   -0.00  0.00   -0.00  
1 1 1 32 5  7  o 19.032  0.2220 19.563  -135.7000 -1.31  -2.33  0.87   -0.79  
1 1 1 32 5  8  f 13.265  0.1538 12.848  4.8000    0.04   0.89   0.86   -0.65  
1 1 1 32 5  9  o 14.368  0.2828 18.348  78.800    -2.28  1.63   -0.33  0.61   
1 1 1 32 5  10 o 16.533  0.1491 20.730  -52.7000  0.19   0.43   0.05   1.26   
1 1 1 32 5  11 o 10.015  0.1793 9.2944  12.300    0.22   -0.17  0.03   0.09   
1 1 1 32 5  12 o 13.286  0.1522 12.168  -84.9000  0.58   -0.30  0.85   0.68   
1 1 1 32 5  13 o 8.2878  0.3933 8.5291  33.000    2.80   0.57   -0.53  -0.13  
1 1 1 32 5  14 o 7.2792  0.2382 6.5503  -91.7000  -0.34  0.13   -0.01  0.11   
1 1 1 32 5  15 o 24.575  0.1535 25.080  143.100   -1.08  0.64   -0.39  -0.30  
1 1 1 32 5  16 o 12.655  0.1732 12.389  105.000   -0.24  0.26   -0.05  0.03   
1 1 1 32 5  17 o 22.702  0.1690 22.983  -92.6000  -0.76  -0.58  -0.21  0.06   
1 1 1 32 5  18 o 16.463  0.3413 17.344  -141.9000 -2.26  -0.99  0.00   -0.39  
1 1 1 32 5  19 o 15.310  0.2205 13.720  -161.6000 -1.89  -1.04  -0.56  0.08   
1 1 1 32 5  20 o 8.8789  0.2576 8.8184  -87.9000  -0.57  -0.59  0.23   0.11   
1 1 1 32 5  21 o 12.030  0.2352 11.997  -143.7000 -1.01  -0.94  0.10   0.35   
1 1 1 32 5  22 o 4.1615  0.4883 4.4234  -169.7000 -0.21  -0.10  0.01   -0.01  
1 1 1 32 5  23 o 2.2047  0.9286 ?       ?         0.14   0.14   0.01   0.01   
1 1 1 32 5  24 o 5.0912  0.8009 ?       ?         0.23   -0.40  -0.00  -0.01  
1 1 1 32 5  25 o 4.6583  1.6181 ?       ?         0.04   -0.22  0.00   0.00   
1 1 1 32 6  0  o 16.944  0.2357 9.2940  -0.1000   0.10   0.00   0.00   0.00   
1 1 1 32 6  1  f 44.582  0.2299 40.656  6.5000    2.65   -0.93  -0.38  1.31   
1 1 1 32 6  2  o 18.106  0.4521 27.386  51.400    4.57   4.34   -0.19  -1.32  
1 1 1 32 6  3  o 6.1965  0.2267 4.8717  117.300   2.18   0.75   -0.86  -0.55  
1 1 1 32 6  4  o 33.440  0.1759 29.294  70.300    1.28   0.32   -0.93  0.47   
1 1 1 32 6  5  o 15.762  0.6628 17.447  81.100    -9.45  12.06  0.96   3.19   
1 1 1 32 6  6  o 11.218  0.3231 12.448  64.000    5.63   -1.04  -1.81  0.86   
1 1 1 32 6  7  o 4.4603  0.3057 5.3521  -95.9000  -1.85  0.84   -0.40  0.56   
1 1 1 32 6  8  o 27.149  0.1642 26.581  -109.3000 0.05   -0.12  0.00   0.01   
1 1 1 32 6  9  o 17.190  0.1594 20.965  -147.2000 -0.42  0.36   -0.08  0.10   
1 1 1 32 6  10 o 9.6062  0.2087 11.680  103.100   1.45   0.44   -0.30  -0.31  
1 1 1 32 6  11 o 30.189  0.2704 29.696  168.900   1.52   -0.40  -0.22  0.01   
1 1 1 32 6  12 o 13.462  0.2958 12.219  98.600    -2.30  4.31   1.56   1.39   
1 1 1 32 6  13 o 5.5151  0.2745 3.0549  49.900    -0.30  -0.03  -0.04  -0.03  
1 1 1 32 6  14 o 7.9929  0.6035 8.6017  -82.2000  0.36   -5.96  0.97   -0.02  
1 1 1 32 6  15 o 6.6864  0.2789 6.6203  47.800    0.67   0.25   -0.50  0.24   
1 1 1 32 6  16 o 5.8851  0.3177 5.0888  -64.3000  0.18   0.02   0.08   -0.04  
1 1 1 32 6  17 o 8.2127  0.2768 6.6339  -52.1000  0.20   -0.27  -0.05  -0.21  
1 1 1 32 6  18 o 9.3914  0.2335 8.0200  171.900   -0.55  -0.20  0.29   -0.05  
1 1 1 32 6  19 o 11.710  0.2241 12.254  159.400   0.45   -0.62  -0.06  0.06   
1 1 1 32 6  20 o 6.3374  0.6348 6.0809  122.500   -0.98  0.27   -0.05  -0.00  
1 1 1 32 6  21 o 8.5553  0.2841 8.8873  -148.0000 0.51   0.66   -0.11  -0.02  
1 1 1 32 6  22 f 5.9443  0.4432 7.2051  -171.8000 -0.65  -0.70  0.15   0.08   
1 1 1 32 6  23 o 3.0306  0.9539 ?       ?         -0.32  -0.08  0.01   -0.01  
1 1 1 32 6  24 o 7.2085  0.7178 ?       ?         0.15   0.13   0.00   0.00   
1 1 1 32 6  25 o 8.1792  1.1523 ?       ?         -1.33  1.05   0.00   0.00   
1 1 1 32 7  0  o 39.128  0.2653 19.955  0.1000    -0.14  0.00   0.00   0.00   
1 1 1 32 7  1  f 39.288  0.1817 43.732  -142.5000 0.31   -1.24  0.07   1.03   
1 1 1 32 7  2  o 59.489  0.2586 56.392  90.900    2.22   1.97   -2.28  -0.07  
1 1 1 32 7  3  o 20.679  0.3319 24.359  38.000    2.57   -2.70  -0.15  1.06   
1 1 1 32 7  4  o 32.475  0.1763 27.317  -144.5000 -0.21  0.01   0.08   -0.08  
1 1 1 32 7  5  o 20.749  0.6801 16.010  113.600   -16.03 16.40  -0.25  6.54   
1 1 1 32 7  6  o 18.417  0.1236 14.502  78.500    1.78   -0.24  -2.47  2.39   
1 1 1 32 7  7  o 45.059  0.2181 41.920  -126.4000 -2.22  0.34   -0.81  -0.54  
1 1 1 32 7  8  o 28.914  0.1724 26.394  145.100   0.23   0.63   0.48   0.39   
1 1 1 32 7  9  o 3.9459  0.2864 2.5438  -57.2000  0.30   -0.42  0.02   0.23   
1 1 1 32 7  10 o 5.7785  0.4445 5.7881  122.300   -1.91  0.47   -0.19  0.12   
1 1 1 32 7  11 o 26.873  0.1817 26.934  -28.6000  2.08   -2.38  1.24   1.38   
1 1 1 32 7  12 o 9.2915  0.1728 13.101  -132.5000 -0.63  -0.42  -0.17  -0.16  
1 1 1 32 7  13 f 8.7027  0.1860 9.5941  -33.6000  -0.18  0.08   -0.04  0.00   
1 1 1 32 7  14 o 15.289  0.1576 17.000  -16.5000  0.75   0.13   0.25   -0.58  
1 1 1 32 7  15 o 6.6150  0.4803 5.8754  139.900   -2.15  1.04   -0.14  0.32   
1 1 1 32 7  16 f 10.787  0.2973 8.9224  -165.2000 -0.34  0.52   0.03   0.03   
1 1 1 32 7  17 o 16.459  0.1687 15.602  48.100    0.52   0.61   -0.22  -0.07  
1 1 1 32 7  18 o 11.616  0.1901 11.482  154.100   -1.30  -0.17  -0.25  0.25   
1 1 1 32 7  19 o 7.6289  0.2845 7.6602  -100.7000 -0.12  0.01   0.01   -0.00  
1 1 1 32 7  20 o 11.304  0.4854 10.591  19.400    -0.39  -0.18  -0.01  -0.00  
1 1 1 32 7  21 o 5.9640  0.3816 4.4888  173.500   0.06   -0.14  0.00   -0.01  
1 1 1 32 7  22 o 9.6864  0.3108 10.587  127.400   -1.23  0.05   0.07   -0.19  
1 1 1 32 7  23 o 6.6297  0.6488 ?       ?         0.19   0.73   0.01   0.03   
1 1 1 32 7  24 o 2.9858  1.3437 ?       ?         0.06   -0.37  -0.01  0.00   
1 1 1 32 7  25 o 9.4745  0.8730 ?       ?         0.82   -0.97  -0.01  0.00   
1 1 1 32 8  0  o 49.348  0.3271 46.554  0.0000    -0.29  0.00   0.00   0.00   
1 1 1 32 8  1  o 14.490  0.3814 9.4021  -38.0000  7.78   2.60   -2.72  -2.56  
1 1 1 32 8  2  o 22.953  0.3231 21.428  121.800   3.03   2.95   -0.44  -1.57  
1 1 1 32 8  3  o 12.819  0.4588 12.759  -173.9000 -7.34  0.62   -2.24  0.18   
1 1 1 32 8  4  o 52.470  0.5449 51.471  18.200    2.51   0.45   -0.29  0.03   
1 1 1 32 8  5  o 6.8571  0.2016 5.3755  -146.7000 -0.35  -0.77  0.11   -0.10  
1 1 1 32 8  6  o 19.261  0.1482 11.617  113.800   1.00   -0.18  -0.74  -0.22  
1 1 1 32 8  7  o 18.485  0.1233 16.612  74.200    0.34   0.10   0.13   0.94   
1 1 1 32 8  8  o 19.885  0.1375 17.327  71.300    -0.06  -0.13  0.04   0.01   
1 1 1 32 8  9  o 11.575  0.1577 9.9980  74.100    -0.08  0.46   0.60   -0.44  
1 1 1 32 8  10 o 22.499  0.4369 22.921  122.000   -1.22  9.27   2.82   1.42   
1 1 1 32 8  11 o 19.047  0.1671 18.431  112.100   1.42   -0.08  -1.05  -0.98  
1 1 1 32 8  12 o 16.178  0.3379 12.783  -16.0000  0.00   -0.24  0.00   0.00   
1 1 1 32 8  13 o 11.890  0.3484 13.702  8.8000    2.05   3.05   0.43   -0.62  
1 1 1 32 8  14 o 5.4192  0.2910 8.8341  -120.5000 0.30   -0.10  -0.04  0.01   
1 1 1 32 8  15 o 11.697  0.2706 11.188  -39.4000  0.19   -2.33  0.51   0.40   
1 1 1 32 8  16 o 22.101  0.1586 21.828  -50.0000  1.74   0.15   1.07   -1.05  
1 1 1 32 8  17 o 9.2618  0.2531 8.5299  95.100    0.18   1.22   0.13   -0.24  
1 1 1 32 8  18 o 12.357  0.2027 11.439  21.800    -0.12  0.64   0.03   -0.13  
1 1 1 32 8  19 o 3.1571  0.5265 2.9213  171.200   0.08   0.01   -0.00  0.00   
1 1 1 32 8  20 o 0.5876  0.8376 0.4752  93.500    -0.17  -0.25  0.09   0.03   
1 1 1 32 8  21 o 11.446  0.2362 11.585  26.000    0.11   1.21   -0.13  -0.18  
1 1 1 32 8  22 o 9.3434  0.5424 9.4706  27.600    -0.52  0.52   0.02   0.01   
1 1 1 32 8  23 o 5.2537  0.5425 ?       ?         -0.11  0.25   -0.01  0.00   
1 1 1 32 8  24 o 7.3786  0.7098 ?       ?         0.23   0.11   0.00   0.00   
1 1 1 32 8  25 o 0.9671  1.5934 ?       ?         0.08   -0.16  -0.00  -0.00  
1 1 1 32 9  0  o 20.857  0.2441 25.180  -0.0000   0.28   0.00   0.00   0.00   
1 1 1 32 9  1  o 24.498  0.1870 29.294  6.4000    3.12   0.21   -2.08  -1.31  
1 1 1 32 9  2  o 15.714  0.1181 12.497  45.900    0.11   0.03   -0.04  0.10   
1 1 1 32 9  3  o 34.646  0.7803 32.544  102.100   10.12  8.19   -0.99  -2.57  
1 1 1 32 9  4  o 30.942  0.3358 28.568  125.500   2.84   2.53   -0.32  -0.87  
1 1 1 32 9  5  o 27.431  0.2802 26.521  41.200    3.15   -4.06  0.99   1.93   
1 1 1 32 9  6  o 29.275  0.3572 31.620  90.700    -2.60  1.66   -0.09  0.64   
1 1 1 32 9  7  o 10.202  0.2926 9.3733  -131.2000 -0.07  -3.69  1.43   -0.25  
1 1 1 32 9  8  o 12.140  0.2832 12.831  -64.5000  2.45   1.09   -0.49  -0.42  
1 1 1 32 9  9  f 12.120  0.1367 16.611  -57.4000  -0.47  -0.52  0.09   -0.19  
1 1 1 32 9  10 o 25.930  0.1630 26.247  125.000   -0.28  0.64   -0.91  -0.77  
1 1 1 32 9  11 o 27.079  0.1524 27.436  -146.6000 -0.86  -0.57  -1.12  1.18   
1 1 1 32 9  12 o 21.622  0.6555 19.007  35.100    4.95   6.80   0.57   -1.03  
1 1 1 32 9  13 o 10.206  0.1761 10.354  -159.4000 -1.32  1.79   0.80   0.89   
1 1 1 32 9  14 o 27.706  0.1672 30.035  -100.0000 -0.53  -0.77  -0.20  -0.01  
1 1 1 32 9  15 o 7.0054  0.2512 5.6622  -112.2000 -0.15  0.42   -0.08  0.23   
1 1 1 32 9  16 o 16.848  0.4044 18.336  -77.5000  3.62   -3.25  -0.50  0.88   
1 1 1 32 9  17 o 1.7951  0.6731 2.4108  -94.3000  0.00   -0.00  -0.00  0.00   
1 1 1 32 9  18 o 10.897  0.2124 10.600  -78.5000  -0.68  -0.78  -0.25  -0.10  
1 1 1 32 9  19 o 9.0054  0.3172 10.021  -155.8000 -0.06  1.25   0.12   -0.14  
1 1 1 32 9  20 o 4.1539  0.4716 5.4875  127.000   0.26   0.16   0.01   -0.01  
1 1 1 32 9  21 o 8.8992  0.2700 8.3091  31.400    0.49   0.59   0.01   0.17   
1 1 1 32 9  22 o 5.0870  0.6054 ?       ?         0.17   0.56   -0.01  -0.02  
1 1 1 32 9  23 f 4.3458  0.6387 ?       ?         -0.51  0.06   0.02   0.01   
1 1 1 32 9  24 o 6.2124  0.8254 ?       ?         -0.23  0.40   -0.00  -0.00  
1 1 1 32 9  25 o 8.5198  0.9548 ?       ?         -0.88  -0.67  0.01   -0.01  
1 1 1 32 10 0  o 23.063  0.1828 19.725  -179.9000 -0.50  0.00   0.00   0.00   
1 1 1 32 10 1  o 11.002  0.5332 13.434  51.500    3.08   5.00   0.40   -0.95  
1 1 1 32 10 2  o 11.830  0.3623 5.7219  -43.9000  2.74   -0.63  -0.40  0.24   
1 1 1 32 10 3  o 40.021  0.3990 38.488  -32.2000  0.61   -3.53  0.83   -0.03  
1 1 1 32 10 4  o 16.133  0.1727 16.100  -165.5000 -1.80  0.53   -0.53  0.53   
1 1 1 32 10 5  f 21.369  0.7130 23.306  61.600    3.36   24.78  7.74   -1.57  
1 1 1 32 10 6  o 19.806  0.1416 19.382  -25.5000  0.67   -0.47  -0.42  0.26   
1 1 1 32 10 7  o 22.267  0.1519 17.963  -42.6000  -0.20  0.29   0.37   -0.36  
1 1 1 32 10 8  o 5.0984  0.3026 3.6802  -148.5000 -0.32  -1.86  0.47   -0.23  
1 1 1 32 10 9  o 7.2315  0.2451 5.1068  137.800   -0.07  -0.01  -0.00  -0.00  
1 1 1 32 10 10 o 7.0154  0.2020 3.9204  -107.4000 -0.09  -0.15  -0.07  -0.14  
1 1 1 32 10 11 o 4.5025  0.3077 1.9685  -76.8000  -0.09  0.11   -0.01  0.02   
1 1 1 32 10 12 o 20.782  0.3838 18.717  130.300   -4.79  0.57   -1.12  -0.08  
1 1 1 32 10 13 o 7.3352  0.2230 7.2274  -164.8000 -0.36  -0.25  0.58   -0.30  
1 1 1 32 10 14 o 14.768  0.1833 13.150  68.300    0.43   1.35   0.00   -0.48  
1 1 1 32 10 15 f 17.684  0.2665 15.877  -51.1000  1.14   -2.15  -0.04  0.59   
1 1 1 32 10 16 o 13.681  0.2444 11.538  -117.0000 -0.84  -1.02  0.16   -0.15  
1 1 1 32 10 17 o 15.050  0.1834 16.567  -50.6000  0.90   0.71   -0.27  -0.00  
1 1 1 32 10 18 o 6.7419  0.2960 6.3755  84.500    0.16   0.52   0.06   0.21   
1 1 1 32 10 19 o 7.9306  0.2841 7.2910  -128.1000 -0.82  -0.12  -0.08  0.12   
1 1 1 32 10 20 o 15.269  0.1926 16.343  151.700   -0.11  0.15   -0.00  -0.00  
1 1 1 32 10 21 o 4.6099  0.5085 4.3054  173.100   -0.50  -0.43  0.03   -0.03  
1 1 1 32 10 22 f 2.9275  0.6998 ?       ?         -0.10  -0.30  -0.02  -0.01  
1 1 1 32 10 23 o 4.9856  0.7049 ?       ?         -0.02  0.27   -0.00  0.00   
1 1 1 32 10 24 o 5.9152  0.7210 ?       ?         -0.29  0.50   -0.01  -0.01  
1 1 1 32 10 25 o 4.0958  1.4975 ?       ?         0.27   -0.20  -0.00  -0.00  
1 1 1 32 11 0  o 20.187  0.2059 15.301  -0.1000   -0.05  0.00   0.00   0.00   
1 1 1 32 11 1  f 30.205  0.4919 31.154  77.600    -4.16  4.53   -0.19  1.48   
1 1 1 32 11 2  o 10.191  0.2016 11.899  -46.0000  1.73   -0.31  -0.61  0.13   
1 1 1 32 11 3  o 21.143  0.2211 22.896  -177.9000 -3.88  -1.10  -1.38  -1.27  
1 1 1 32 11 4  o 27.684  0.1482 27.837  135.800   0.02   0.38   0.04   0.47   
1 1 1 32 11 5  o 20.743  0.4231 22.791  -143.1000 -2.77  -9.98  4.39   -1.73  
1 1 1 32 11 6  o 20.996  0.4458 22.207  -132.7000 -6.84  0.04   -1.79  0.31   
1 1 1 32 11 7  o 45.898  0.2156 45.270  -81.6000  1.29   -0.66  -0.66  -0.17  
1 1 1 32 11 8  o 10.469  0.1705 11.601  -99.1000  0.79   -0.55  0.02   0.59   
1 1 1 32 11 9  o 27.843  0.3596 23.865  39.200    0.38   2.66   0.38   0.01   
1 1 1 32 11 10 o 14.696  0.1541 14.560  -34.4000  -0.14  0.42   0.03   0.04   
1 1 1 32 11 11 o 12.566  0.1580 12.218  77.400    -0.52  -0.29  -0.44  -0.02  
1 1 1 32 11 12 o 15.537  0.1573 13.348  -137.6000 0.17   -1.16  0.19   1.31   
1 1 1 32 11 13 o 5.5449  0.2903 1.8081  -20.8000  0.08   -0.18  -0.13  0.08   
1 1 1 32 11 14 o 7.7814  0.3586 9.1788  128.000   0.46   1.44   0.12   -0.17  
1 1 1 32 11 15 o 15.461  0.1738 14.593  14.300    0.44   0.79   -0.07  -0.16  
1 1 1 32 11 16 o 12.279  0.2722 10.605  -34.3000  1.20   -0.04  -0.14  -0.07  
1 1 1 32 11 17 o 4.6880  0.3978 5.0875  -20.6000  0.36   0.01   -0.02  0.01   
1 1 1 32 11 18 o 13.053  0.3308 13.284  100.500   -3.14  2.92   -1.18  0.92   
1 1 1 32 11 19 o 4.6955  0.4082 4.2684  117.200   0.34   0.16   0.02   0.11   
1 1 1 32 11 20 o 3.7910  0.5181 3.2185  -45.8000  0.15   0.11   0.02   0.01   
1 1 1 32 11 21 o 4.0468  0.5340 4.3718  41.300    0.08   0.19   -0.01  -0.00  
1 1 1 32 11 22 o 4.7197  0.5352 ?       ?         0.12   -0.14  -0.00  -0.00  
1 1 1 32 11 23 o 4.1411  0.8003 ?       ?         -0.25  0.20   0.01   -0.00  
1 1 1 32 11 24 o 3.6337  1.0336 ?       ?         -0.02  -0.17  -0.00  0.00   
1 1 1 32 11 25 o 5.6103  1.2173 ?       ?         -0.08  0.45   -0.00  0.00   
1 1 1 32 12 0  o 4.3012  0.2625 0.6839  177.300   -0.01  0.00   0.00   0.00   
1 1 1 32 12 1  o 17.694  0.1589 13.776  103.700   3.05   1.37   -1.99  -1.42  
1 1 1 32 12 2  o 24.577  0.4474 27.609  -117.6000 -7.13  -8.00  -0.03  -3.49  
1 1 1 32 12 3  o 27.230  0.1488 26.850  -119.1000 0.72   -0.91  -1.45  1.46   
1 1 1 32 12 4  o 13.294  0.1366 14.999  8.0000    -0.55  -0.07  -0.24  -0.17  
1 1 1 32 12 5  o 14.032  0.1575 8.1087  70.900    0.42   -0.01  -0.25  0.35   
1 1 1 32 12 6  o 26.728  0.2818 31.035  -110.5000 -3.25  -1.70  -0.91  -0.73  
1 1 1 32 12 7  o 28.689  0.3360 27.880  -99.5000  0.12   -2.07  0.27   -0.04  
1 1 1 32 12 8  o 26.884  0.5227 26.012  -109.6000 -2.22  -5.83  0.64   -0.86  
1 1 1 32 12 9  o 9.2228  0.1593 8.8074  -12.4000  0.61   -0.58  0.08   0.30   
1 1 1 32 12 10 o 13.911  0.9200 11.915  -144.5000 -19.36 -26.05 2.50   -6.82  
1 1 1 32 12 11 o 16.569  0.1371 19.019  7.0000    1.06   0.47   -0.77  0.00   
1 1 1 32 12 12 o 4.7635  0.2960 1.8144  113.000   -0.54  0.04   -0.10  -0.02  
1 1 1 32 12 13 o 6.2267  0.2660 7.1358  -44.2000  0.24   -0.01  -0.05  -0.07  
1 1 1 32 12 14 f 11.073  0.1754 9.8898  -155.9000 -0.59  -0.12  -0.17  0.27   
1 1 1 32 12 15 o 6.4762  0.2430 6.1398  -11.7000  -0.20  -0.06  -0.00  -0.01  
1 1 1 32 12 16 o 2.3994  0.6881 1.8966  -22.5000  -0.26  -0.09  -0.01  -0.03  
1 1 1 32 12 17 o 7.7934  0.2843 7.9586  110.500   -0.52  1.27   0.26   0.02   
1 1 1 32 12 18 o 16.679  0.1725 16.798  -9.1000   1.87   0.75   0.55   -0.48  
1 1 1 32 12 19 o 1.9270  0.7112 0.9279  -26.8000  -0.16  0.18   0.02   0.01   
1 1 1 32 12 20 o 5.8954  0.3781 6.6809  73.900    -0.48  0.67   -0.07  0.06   
1 1 1 32 12 21 o 5.6377  0.4160 5.4828  53.300    0.07   -0.34  -0.03  0.01   
1 1 1 32 12 22 o 11.189  0.2821 ?       ?         2.19   1.19   0.46   0.08   
1 1 1 32 12 23 o 3.6327  1.6669 ?       ?         0.51   0.39   0.04   -0.01  
1 1 1 32 12 24 o 2.4521  1.3384 ?       ?         0.06   -0.13  -0.00  0.00   
1 1 1 32 12 25 f 4.4607  1.2464 ?       ?         0.08   0.06   0.00   0.00   
1 1 1 32 13 0  o 16.938  0.1724 19.128  0.2000    0.20   0.00   0.00   0.00   
1 1 1 32 13 1  o 23.910  0.3456 23.040  23.600    -1.33  6.58   2.19   0.55   
1 1 1 32 13 2  o 35.043  0.2760 33.774  -139.5000 -1.04  -0.13  -0.11  0.01   
1 1 1 32 13 3  o 16.050  0.1265 19.039  95.200    -0.64  0.80   -0.82  1.91   
1 1 1 32 13 4  o 6.7464  0.1520 14.160  -67.5000  -0.24  -0.38  0.02   -0.47  
1 1 1 32 13 5  o 39.514  0.4072 37.333  150.900   -1.39  -1.60  -0.07  -0.25  
1 1 1 32 13 6  o 11.256  0.2353 9.9497  -115.7000 -3.53  -0.77  -1.45  -0.43  
1 1 1 32 13 7  o 16.601  0.2571 18.885  178.500   -5.07  5.37   1.99   6.02   
1 1 1 32 13 8  o 9.6717  0.3434 10.611  -169.1000 -1.34  -2.58  0.34   -0.39  
1 1 1 32 13 9  o 24.839  0.1512 22.102  -41.7000  0.52   -0.00  -0.02  0.34   
1 1 1 32 13 10 o 13.260  0.3078 13.933  -95.9000  -2.43  -1.90  -0.22  -0.52  
1 1 1 32 13 11 o 11.112  0.2314 11.163  64.600    0.31   -0.02  -0.01  0.01   
1 1 1 32 13 12 o 5.5400  0.4692 8.9146  19.200    -1.08  0.29   -0.07  0.03   
1 1 1 32 13 13 o 8.6606  0.2425 7.2294  -157.0000 -0.53  0.16   -0.05  0.01   
1 1 1 32 13 14 o 9.7790  0.1959 7.7209  40.200    0.17   0.96   -0.57  -1.14  
1 1 1 32 13 15 o 6.5558  0.2708 7.4001  100.400   -0.55  0.73   -0.03  0.15   
1 1 1 32 13 16 o 9.6019  0.3456 7.1253  90.700    0.84   0.21   -0.04  -0.05  
1 1 1 32 13 17 o 3.8493  0.4474 3.0767  85.700    0.03   -0.03  0.00   -0.00  
1 1 1 32 13 18 o 12.924  0.1973 14.166  -48.8000  0.57   0.27   0.03   0.18   
1 1 1 32 13 19 o 8.1053  0.2863 10.581  88.900    -0.25  -0.19  0.03   0.04   
1 1 1 32 13 20 o 5.5303  0.4031 4.0186  138.400   0.02   0.40   0.01   -0.02  
1 1 1 32 13 21 o 6.3985  0.4040 6.6237  111.300   -0.75  -0.62  0.12   -0.02  
1 1 1 32 13 22 f 6.8883  0.4485 ?       ?         -0.16  -0.46  -0.02  -0.00  
1 1 1 32 13 23 o 4.3492  0.7139 ?       ?         0.16   -0.10  0.00   -0.00  
1 1 1 32 13 24 o 13.943  0.4130 ?       ?         3.09   -0.99  0.17   -0.04  
1 1 1 32 13 25 o 9.0156  0.8077 ?       ?         -0.83  0.83   -0.01  0.00   
1 1 1 32 14 0  o 3.3912  0.2972 1.0068  -176.6000 0.03   0.00   0.00   0.00   
1 1 1 32 14 1  o 24.724  0.1823 27.189  73.900    1.95   -0.44  -0.51  0.46   
1 1 1 32 14 2  o 38.042  0.5460 39.793  9.0000    11.30  -4.38  -2.17  2.93   
1 1 1 32 14 3  o 28.392  0.1759 26.752  85.900    0.64   0.69   0.20   -0.20  
1 1 1 32 14 4  o 40.791  0.3081 42.842  -168.9000 -2.63  1.51   -0.94  0.39   
1 1 1 32 14 5  o 5.7370  0.1949 6.1118  177.600   0.13   0.07   0.25   -0.39  
1 1 1 32 14 6  o 23.992  0.1572 22.932  -157.9000 -0.65  -0.57  0.19   -0.33  
1 1 1 32 14 7  o 22.608  0.3630 18.223  147.400   -5.13  -2.05  -1.40  -0.81  
1 1 1 32 14 8  o 9.4326  0.2615 5.0593  122.400   -2.48  -0.63  -0.63  -0.22  
1 1 1 32 14 9  o 21.149  0.2292 14.305  36.000    2.10   3.00   -0.03  -1.48  
1 1 1 32 14 10 o 10.579  0.1575 6.5733  33.800    -0.24  -0.43  0.34   -0.04  
1 1 1 32 14 11 o 14.702  0.3317 15.002  132.200   -3.06  -2.52  0.06   -0.95  
1 1 1 32 14 12 o 10.772  0.1657 9.7552  157.900   -0.72  -0.56  2.55   0.15   
1 1 1 32 14 13 o 7.2741  0.3938 7.4258  120.300   -0.23  0.55   0.01   0.02   
1 1 1 32 14 14 o 2.9531  0.4906 4.7379  60.700    -0.19  -0.63  0.06   -0.10  
1 1 1 32 14 15 o 12.476  0.1796 12.270  -24.6000  1.02   -0.51  0.17   0.44   
1 1 1 32 14 16 o 19.907  0.3115 20.021  53.900    -1.20  1.48   -0.13  0.22   
1 1 1 32 14 17 f 12.457  0.1915 10.941  -6.1000   1.80   -0.05  -0.30  -0.50  
1 1 1 32 14 18 o 9.5358  0.2479 11.312  -84.5000  -0.20  -0.03  0.02   -0.01  
1 1 1 32 14 19 o 11.177  0.2207 10.994  -175.3000 -0.44  -0.29  0.07   0.01   
1 1 1 32 14 20 o 10.353  0.2553 10.014  159.700   -0.12  0.45   -0.03  0.02   
1 1 1 32 14 21 o 9.1715  0.4287 9.0596  -107.5000 -0.95  0.59   0.05   0.06   
1 1 1 32 14 22 o 7.4442  0.4393 ?       ?         0.43   -0.51  0.03   -0.01  
1 1 1 32 14 23 o 3.5858  0.8498 ?       ?         -0.11  -0.50  -0.02  0.01   
1 1 1 32 14 24 o 8.0265  1.1390 ?       ?         0.56   -0.41  -0.01  -0.01  
1 1 1 32 14 25 o 5.7291  1.0753 ?       ?         -0.62  0.75   -0.01  -0.00  
1 1 1 32 15 0  f 2.5884  0.3686 2.3554  -1.2000   -0.03  0.00   0.00   0.00   
1 1 1 32 15 1  o 18.189  0.4504 17.202  -94.5000  2.97   -8.47  1.89   1.94   
1 1 1 32 15 2  o 45.740  0.2217 45.206  -86.7000  -0.41  0.40   0.10   -0.24  
1 1 1 32 15 3  o 13.500  0.2024 16.324  59.700    -1.34  1.99   0.57   0.83   
1 1 1 32 15 4  o 15.421  0.1333 22.180  -65.7000  0.25   -0.25  0.14   0.14   
1 1 1 32 15 5  o 31.054  0.3808 26.337  117.100   0.85   3.54   0.61   -0.14  
1 1 1 32 15 6  o 25.184  0.1519 24.906  159.600   -1.39  -0.22  -0.58  -1.03  
1 1 1 32 15 7  o 8.1798  0.1563 5.6029  -171.2000 0.24   0.37   0.40   -0.24  
1 1 1 32 15 8  o 8.1585  0.3511 7.9929  -31.4000  5.22   2.09   -1.15  -1.34  
1 1 1 32 15 9  o 15.225  0.1389 14.139  145.000   -0.74  0.19   -0.55  -0.16  
1 1 1 32 15 10 o 19.479  0.1402 20.772  -83.9000  -0.11  -0.89  -0.48  -1.03  
1 1 1 32 15 11 o 9.9533  0.2705 10.709  143.300   -3.23  -0.01  -1.21  -0.36  
1 1 1 32 15 12 o 17.471  0.1964 17.243  97.600    -1.20  1.28   -0.21  0.39   
1 1 1 32 15 13 o 3.9430  0.3721 4.0145  -87.8000  -0.04  -0.10  -0.05  -0.01  
1 1 1 32 15 14 o 6.2053  0.2778 5.0170  -168.7000 0.06   0.07   0.01   -0.00  
1 1 1 32 15 15 o 6.7574  0.2599 2.7944  -136.5000 -0.03  0.30   0.02   -0.01  
1 1 1 32 15 16 o 10.367  0.3259 9.8532  -176.6000 -1.92  -0.09  -0.27  -0.25  
1 1 1 32 15 17 o 14.994  0.4327 13.632  -174.6000 -2.03  -0.87  0.01   -0.24  
1 1 1 32 15 18 o 8.1333  0.2634 7.2367  159.400   -0.22  0.39   -0.06  -0.15  
1 1 1 32 15 19 o 9.8315  0.2961 10.416  52.200    0.18   -0.24  -0.01  0.01   
1 1 1 32 15 20 o 10.773  0.2516 10.907  108.500   0.08   0.42   -0.03  -0.01  
1 1 1 32 15 21 o 7.0562  0.4250 6.1478  -78.3000  -0.10  -1.21  0.01   0.14   
1 1 1 32 15 22 o 4.1238  0.7045 ?       ?         -0.27  0.18   0.01   -0.01  
1 1 1 32 15 23 o 4.9748  0.6453 ?       ?         0.39   0.57   -0.01  0.02   
1 1 1 32 15 24 o 2.6996  1.0562 ?       ?         -0.05  -0.49  -0.02  0.01   
1 1 1 32 15 25 o 4.2790  1.9125 ?       ?         0.18   -0.30  -0.00  -0.00  
1 1 1 32 16 0  o 1.9748  0.4113 0.2050  179.200   0.01   0.00   0.00   0.00   
1 1 1 32 16 1  o 31.137  0.2814 31.894  133.900   -1.49  0.79   -0.05  0.27   
1 1 1 32 16 2  o 25.422  0.4182 27.789  -155.8000 -3.09  -9.07  3.91   -1.78  
1 1 1 32 16 3  o 14.490  0.3024 11.709  108.600   4.31   2.13   -1.26  -1.21  
1 1 1 32 16 4  o 16.655  0.2842 15.986  -136.9000 -0.30  1.41   0.13   0.09   
1 1 1 32 16 5  o 16.123  0.1453 15.008  -63.6000  0.28   0.22   -0.18  -0.11  
1 1 1 32 16 6  o 12.985  0.7526 13.407  -57.6000  -1.04  -20.33 4.53   -0.74  
1 1 1 32 16 7  o 4.3855  0.2340 3.7907  22.300    -0.03  0.03   0.01   0.01   
1 1 1 32 16 8  o 11.187  0.2519 13.193  166.700   -2.09  -4.75  2.08   -1.60  
1 1 1 32 16 9  o 20.313  0.1466 19.877  -148.2000 -0.17  0.30   -0.22  -0.38  
1 1 1 32 16 10 o 24.218  0.1543 24.511  -51.1000  0.48   -0.68  -0.21  -0.96  
1 1 1 32 16 11 f 10.640  0.1727 10.789  -131.9000 0.16   0.11   0.07   -0.03  
1 1 1 32 16 12 o 10.826  0.3840 14.057  -122.7000 -0.55  -4.24  0.85   -0.49  
1 1 1 32 16 13 o 6.6655  0.2532 6.6997  -23.0000  0.30   -0.24  -0.29  -0.17  
1 1 1 32 16 14 o 16.046  0.1686 14.147  -60.0000  0.34   0.06   0.05   -0.05  
1 1 1 32 16 15 f 7.9334  0.2323 4.7792  99.400    -0.69  -0.18  -0.15  0.03   
1 1 1 32 16 16 o 6.2467  0.6333 4.9168  -164.0000 0.08   1.44   0.09   0.02   
1 1 1 32 16 17 o 11.195  0.4116 9.3797  106.100   0.97   2.46   0.39   -0.04  
1 1 1 32 16 18 o 0.0000  1.7153 ?       ?         -0.10  -0.03  0.02   0.02   
1 1 1 32 16 19 o 9.9019  0.2395 9.6635  34.200    1.10   0.68   -0.22  0.09   
1 1 1 32 16 20 o 6.5281  0.5678 7.1336  -94.2000  -0.61  -1.05  0.09   -0.01  
1 1 1 32 16 21 o 5.0193  0.4904 4.5370  -128.2000 -0.12  0.51   -0.05  -0.04  
1 1 1 32 16 22 o 0.6982  1.0794 ?       ?         -0.27  -0.03  0.01   0.01   
1 1 1 32 16 23 o 6.9959  0.5264 ?       ?         -0.37  0.52   0.01   -0.01  
1 1 1 32 16 24 o 1.3552  1.2668 ?       ?         0.10   0.42   -0.01  0.00   
1 1 1 32 17 0  f 7.6942  0.2577 8.8576  -0.1000   -0.00  0.00   0.00   0.00   
1 1 1 32 17 1  o 9.3974  0.5188 10.537  -80.9000  -1.79  -3.37  0.19   -0.32  
1 1 1 32 17 2  o 25.743  0.6040 25.730  -131.4000 -8.74  -2.04  -1.54  -0.50  
1 1 1 32 17 3  o 16.230  0.1090 16.338  -18.5000  0.01   -0.11  -0.14  -0.07  
1 1 1 32 17 4  o 28.534  0.2012 27.411  -102.9000 -2.04  -0.82  -0.72  -0.25  
1 1 1 32 17 5  o 3.7841  0.2454 5.8205  16.300    -0.16  0.43   0.24   0.44   
1 1 1 32 17 6  o 21.394  0.2520 21.811  128.700   -5.37  -1.43  -2.17  -2.39  
1 1 1 32 17 7  o 7.6392  0.2329 7.6949  177.000   -3.29  0.84   -1.40  0.51   
1 1 1 32 17 8  o 29.157  0.2170 25.255  100.900   2.48   0.32   -0.72  0.23   
1 1 1 32 17 9  o 13.702  0.1364 11.715  171.300   -0.30  0.15   0.45   -0.04  
1 1 1 32 17 10 o 11.417  0.4721 11.117  177.400   -8.28  1.55   -2.21  0.49   
1 1 1 32 17 11 o 9.6006  0.3428 7.1664  -107.5000 -2.15  -1.11  -0.30  -0.26  
1 1 1 32 17 12 o 13.372  0.1564 11.924  84.700    0.36   0.30   0.09   -0.08  
1 1 1 32 17 13 o 13.716  0.3385 12.038  -40.5000  -0.91  -3.94  1.07   -0.01  
1 1 1 32 17 14 o 12.058  0.7033 12.088  -6.4000   12.08  3.82   -1.77  -1.92  
1 1 1 32 17 15 o 6.1418  0.3073 5.7605  -178.1000 0.25   0.08   -0.00  -0.01  
1 1 1 32 17 16 o 5.8303  0.3098 5.7004  -128.5000 -0.33  -0.29  -0.17  0.03   
1 1 1 32 17 17 o 8.6558  0.2366 8.7488  -18.2000  -0.06  -0.41  0.00   -0.05  
1 1 1 32 17 18 o 6.4848  0.3133 7.6482  -36.6000  -0.08  -0.44  -0.12  0.06   
1 1 1 32 17 19 o 4.7826  0.8983 3.7460  87.600    -1.10  -1.05  0.04   -0.09  
1 1 1 32 17 20 o 3.7493  0.5643 3.7231  -15.7000  0.02   0.08   -0.00  0.00   
1 1 1 32 17 21 o 11.675  0.2801 ?       ?         0.32   1.08   -0.03  0.08   
1 1 1 32 17 22 o 2.6226  0.9405 ?       ?         -0.20  0.47   -0.04  -0.01  
1 1 1 32 17 23 o 5.9703  0.7162 ?       ?         -0.51  0.05   0.01   0.01   
1 1 1 32 17 24 o 3.5039  1.0168 ?       ?         -0.27  -0.11  0.00   0.00   
1 1 1 32 18 0  o 3.0000  0.4202 0.8116  3.9000    -0.03  0.00   0.00   0.00   
1 1 1 32 18 1  o 10.910  0.2471 6.9302  -119.8000 0.42   -1.33  0.16   0.15   
1 1 1 32 18 2  o 21.582  0.1764 15.836  69.000    0.28   -0.76  -0.03  0.61   
1 1 1 32 18 3  o 13.021  0.1101 13.349  95.200    -3.03  1.84   -3.96  3.97   
1 1 1 32 18 4  o 13.785  0.2300 16.484  -66.6000  -2.27  0.08   -0.60  0.18   
1 1 1 32 18 5  o 22.341  0.4099 22.734  84.300    3.00   5.72   1.19   -1.14  
1 1 1 32 18 6  o 20.087  0.4273 18.860  -47.4000  4.44   -5.42  0.63   1.54   
1 1 1 32 18 7  o 9.5679  0.2830 8.0044  128.000   0.42   3.89   1.21   -0.46  
1 1 1 32 18 8  o 20.628  0.6512 20.665  82.900    -8.52  8.24   -0.35  2.00   
1 1 1 32 18 9  o 11.674  0.4531 11.515  -72.1000  6.63   -3.61  -1.25  1.43   
1 1 1 32 18 10 o 26.550  0.1560 24.993  6.7000    0.42   -0.95  0.40   -0.43  
1 1 1 32 18 11 f 20.041  0.1469 22.633  -88.5000  0.31   -0.36  -0.06  -0.32  
1 1 1 32 18 12 o 13.947  0.1550 14.384  -148.8000 -0.01  -0.01  0.00   -0.00  
1 1 1 32 18 13 o 18.283  0.1579 19.187  -146.1000 -0.61  -0.78  0.38   0.49   
1 1 1 32 18 14 o 7.0379  0.2643 7.7302  -120.7000 0.16   0.66   0.11   0.01   
1 1 1 32 18 15 o 10.561  0.1981 9.7617  66.300    0.62   0.41   0.05   -0.12  
1 1 1 32 18 16 f 6.0647  0.6082 6.8771  143.400   -1.74  0.20   -0.12  0.08   
1 1 1 32 18 17 o 12.209  0.2072 12.001  149.300   -1.32  0.96   -0.42  -0.00  
1 1 1 32 18 18 o 7.2652  0.5071 7.7359  -83.2000  0.10   -1.08  0.04   0.05   
1 1 1 32 18 19 o 7.7974  0.3800 6.7820  160.200   -1.17  0.94   0.16   0.13   
1 1 1 32 18 20 o 4.3840  0.5267 3.6539  -4.0000   -0.32  -0.23  -0.02  0.01   
1 1 1 32 18 21 o 7.8354  0.3944 ?       ?         -0.29  -0.09  0.00   0.01   
1 1 1 32 18 22 o 3.5434  1.6478 ?       ?         -0.06  -0.62  0.01   0.03   
1 1 1 32 18 23 f 5.7058  0.8337 ?       ?         -1.27  0.95   -0.08  -0.04  
1 1 1 32 18 24 o 3.2515  1.0144 ?       ?         -0.06  0.63   -0.02  0.01   
1 1 1 32 19 0  o 18.499  0.2137 12.777  0.2000    0.11   0.00   0.00   0.00   
1 1 1 32 19 1  f 18.362  0.1561 15.941  24.600    0.46   1.39   3.81   1.86   
1 1 1 32 19 2  o 43.802  0.2378 44.488  117.900   0.67   0.30   -0.07  0.34   
1 1 1 32 19 3  o 5.2083  0.1742 2.9111  -86.6000  -0.23  -0.41  0.05   -0.14  
1 1 1 32 19 4  o 12.982  0.1065 10.262  -36.8000  0.70   0.55   -0.80  -0.63  
1 1 1 32 19 5  o 14.128  0.1238 14.286  -132.7000 -0.55  -0.51  0.67   -0.61  
1 1 1 32 19 6  f 18.182  0.1444 16.481  158.500   -0.13  0.16   0.04   -0.18  
1 1 1 32 19 7  o 26.986  0.5621 21.287  98.400    -3.57  11.04  1.63   1.77   
1 1 1 32 19 8  o 8.9804  0.4083 9.3505  141.600   -6.56  1.79   -2.06  0.83   
1 1 1 32 19 9  o 5.4749  0.2447 4.5510  -160.4000 -0.36  -0.80  0.71   -0.21  
1 1 1 32 19 10 o 6.2807  0.2082 7.4707  175.600   -0.11  -0.06  0.11   0.04   
1 1 1 32 19 11 o 10.922  0.1885 13.809  -57.8000  1.32   -0.32  -0.97  -0.57  
1 1 1 32 19 12 o 13.246  0.1576 14.054  -5.1000   0.59   -0.28  -0.20  -0.11  
1 1 1 32 19 13 o 5.4626  0.2940 4.0727  22.600    0.46   0.04   -0.06  -0.13  
1 1 1 32 19 14 o 11.127  0.1882 10.562  122.000   0.26   1.16   0.11   -0.40  
1 1 1 32 19 15 o 7.2297  0.2643 6.0909  138.100   -0.85  -0.49  0.19   -0.29  
1 1 1 32 19 16 o 3.1242  0.5013 2.0277  -67.9000  0.19   -0.22  -0.06  0.01   
1 1 1 32 19 17 o 11.074  0.2194 12.224  131.000   -0.81  -0.57  0.17   -0.10  
1 1 1 32 19 18 o 6.0622  0.4399 4.8664  -125.2000 0.57   0.12   -0.01  -0.03  
1 1 1 32 19 19 o 6.8959  0.3428 6.7942  -103.3000 -0.12  0.05   0.00   -0.00  
1 1 1 32 19 20 o 2.7239  0.7188 1.9292  -152.5000 0.14   0.17   -0.01  0.02   
1 1 1 32 19 21 o 5.8170  0.9457 ?       ?         0.44   0.30   0.01   -0.01  
1 1 1 32 19 22 o 5.0203  0.7330 ?       ?         0.40   0.22   0.00   0.01   
1 1 1 32 19 23 o 8.4405  0.9176 ?       ?         -1.07  0.58   0.03   0.01   
1 1 1 32 19 24 o 5.9475  0.7191 ?       ?         0.14   0.55   -0.00  0.01   
1 1 1 32 20 0  o 18.550  0.2211 18.476  0.0000    -0.15  0.00   0.00   0.00   
1 1 1 32 20 1  o 4.5166  0.7206 1.3334  107.100   2.32   -0.29  -0.14  0.03   
1 1 1 32 20 2  o 24.527  0.4640 26.411  62.000    4.90   3.67   -0.06  -1.32  
1 1 1 32 20 3  f 19.375  0.1446 19.430  101.200   0.10   0.18   -0.02  -0.04  
1 1 1 32 20 4  o 12.259  0.1161 11.066  131.000   -0.32  -0.06  0.56   -0.72  
1 1 1 32 20 5  o 15.181  0.1174 16.263  -41.2000  0.36   0.42   0.29   -0.21  
1 1 1 32 20 6  o 22.433  0.2659 24.627  83.100    1.47   -1.79  -0.05  0.39   
1 1 1 32 20 7  o 4.7509  0.2623 1.1304  -63.2000  0.01   -0.45  0.03   -0.00  
1 1 1 32 20 8  o 17.436  0.2364 19.925  -82.8000  -2.59  -3.09  -0.41  -1.76  
1 1 1 32 20 9  o 7.7324  0.1729 6.8468  8.2000    0.20   0.04   0.27   0.27   
1 1 1 32 20 10 o 9.7526  0.2083 7.4690  135.100   -2.29  -0.46  -0.59  -0.55  
1 1 1 32 20 11 o 16.333  0.1487 15.682  -1.4000   0.90   -0.04  0.58   0.72   
1 1 1 32 20 12 o 6.5417  0.2553 5.8074  -10.5000  0.22   0.65   0.43   0.29   
1 1 1 32 20 13 o 6.9849  0.2609 6.5471  4.3000    -0.15  0.53   0.00   0.17   
1 1 1 32 20 14 o 11.809  0.2183 11.363  147.700   -0.40  0.88   0.01   0.14   
1 1 1 32 20 15 o 18.829  0.1671 18.660  172.800   -1.37  -0.36  0.57   0.06   
1 1 1 32 20 16 o 4.3760  0.4139 4.7992  52.000    -0.27  0.06   -0.01  -0.06  
1 1 1 32 20 17 o 4.9870  0.3722 5.1523  167.300   -0.74  -0.62  0.30   -0.09  
1 1 1 32 20 18 o 4.6826  0.5350 6.2594  -158.6000 -0.25  0.26   -0.01  0.01   
1 1 1 32 20 19 o 15.771  0.2249 17.692  138.700   -2.68  0.43   0.65   -0.07  
1 1 1 32 20 20 f 1.6082  0.8634 5.4120  -126.7000 -0.27  0.12   0.02   -0.05  
1 1 1 32 20 21 o 11.102  0.3719 ?       ?         0.18   -1.00  -0.04  -0.04  
1 1 1 32 20 22 o 4.9410  0.6673 ?       ?         0.06   0.20   -0.00  0.00   
1 1 1 32 20 23 o 8.3544  1.0294 ?       ?         2.45   1.72   0.11   -0.06  
1 1 1 32 20 24 o 2.6252  1.2289 ?       ?         -0.33  -0.29  0.00   0.01   
1 1 1 32 21 0  o 21.385  0.2427 21.849  -0.1000   0.34   0.00   0.00   0.00   
1 1 1 32 21 1  o 22.887  0.1556 23.509  115.000   0.12   2.63   1.40   -1.12  
1 1 1 32 21 2  o 10.079  0.1329 9.9219  -52.5000  -0.30  -0.28  -0.20  -0.23  
1 1 1 32 21 3  o 12.569  0.4874 14.197  49.200    7.92   6.55   -0.71  -2.38  
1 1 1 32 21 4  o 8.8783  0.1497 6.0244  -174.5000 -0.42  0.14   -0.17  0.03   
1 1 1 32 21 5  o 14.162  0.1467 14.718  -24.8000  0.19   -0.33  -0.58  -0.83  
1 1 1 32 21 6  o 21.452  0.1309 19.762  -81.3000  2.22   -0.91  -3.83  -0.76  
1 1 1 32 21 7  o 13.929  0.1352 14.327  110.000   -0.39  0.32   0.17   0.16   
1 1 1 32 21 8  o 17.161  0.1336 18.044  -168.1000 -1.00  0.09   2.37   0.38   
1 1 1 32 21 9  o 19.672  0.1520 16.372  153.100   -0.65  0.26   -0.18  -0.09  
1 1 1 32 21 10 o 27.231  0.1713 26.915  38.600    0.38   0.52   -0.05  0.18   
1 1 1 32 21 11 o 15.586  0.2923 13.626  57.700    2.43   2.41   0.56   -0.81  
1 1 1 32 21 12 o 14.500  0.4129 14.252  87.400    0.81   2.97   0.38   -0.06  
1 1 1 32 21 13 o 5.4357  0.3011 4.5234  45.200    0.09   -0.05  0.00   -0.03  
1 1 1 32 21 14 o 14.346  0.1772 17.337  87.400    -0.66  0.88   -0.65  -0.04  
1 1 1 32 21 15 o 14.315  0.1692 13.830  47.300    0.61   1.36   -0.24  0.93   
1 1 1 32 21 16 o 5.0721  0.3558 4.1212  177.100   0.39   -0.04  -0.03  -0.02  
1 1 1 32 21 17 o 10.494  0.2988 11.514  114.500   -0.44  0.80   -0.05  0.07   
1 1 1 32 21 18 o 8.5741  0.4176 9.2744  128.200   -2.11  1.22   -0.40  0.03   
1 1 1 32 21 19 o 8.9833  0.3634 9.1458  -120.0000 0.94   -0.78  -0.12  -0.01  
1 1 1 32 21 20 o 2.3265  0.7871 2.9216  -0.5000   0.01   -0.02  -0.00  -0.00  
1 1 1 32 21 21 o 1.8250  1.2176 ?       ?         0.26   -0.09  0.01   0.00   
1 1 1 32 21 22 o 6.6486  0.7782 ?       ?         -0.06  0.18   0.00   -0.00  
1 1 1 32 21 23 o 3.2942  1.1758 ?       ?         0.29   0.24   -0.01  0.01   
1 1 1 32 21 24 o 5.8623  0.8269 ?       ?         0.97   0.31   -0.00  0.01   
1 1 1 32 22 0  o 33.627  0.2538 27.673  179.900   -0.53  0.00   0.00   0.00   
1 1 1 32 22 1  o 20.425  0.1346 18.101  6.2000    0.82   0.99   1.15   -0.51  
1 1 1 32 22 2  o 25.718  0.3666 26.343  -7.5000   -1.37  8.28   3.02   2.60   
1 1 1 32 22 3  f 12.144  0.6661 7.2003  167.200   -1.68  -5.05  0.30   -0.27  
1 1 1 32 22 4  o 10.203  0.2147 10.481  126.400   1.19   -0.85  -0.03  0.22   
1 1 1 32 22 5  o 9.0570  0.1283 11.222  113.300   -0.20  -0.81  0.34   -0.04  
1 1 1 32 22 6  o 10.765  0.1797 9.0215  -176.9000 -0.70  -2.46  1.18   -0.27  
1 1 1 32 22 7  o 28.194  0.4426 27.662  -179.7000 -2.14  -1.61  -0.19  -0.21  
1 1 1 32 22 8  o 6.2800  0.3157 8.6104  -10.9000  3.65   1.59   -0.76  -1.15  
1 1 1 32 22 9  o 22.092  0.1460 22.003  146.800   -1.38  0.54   -0.70  -1.18  
1 1 1 32 22 10 o 6.4783  0.3946 7.8447  161.500   -2.88  2.52   0.10   0.98   
1 1 1 32 22 11 o 22.940  0.1612 22.482  -139.2000 -0.78  0.20   0.21   0.07   
1 1 1 32 22 12 o 14.471  0.1565 14.770  13.900    0.41   0.85   -0.55  -0.15  
1 1 1 32 22 13 o 18.801  0.4067 18.485  -57.7000  0.75   -0.47  0.00   0.03   
1 1 1 32 22 14 o 20.833  0.1571 21.362  -2.8000   -0.20  0.88   -0.32  -0.00  
1 1 1 32 22 15 o 6.2731  0.2907 5.0434  28.900    0.61   0.30   -0.18  0.07   
1 1 1 32 22 16 o 2.4698  0.5922 1.3268  -178.4000 0.07   0.06   0.01   0.00   
1 1 1 32 22 17 o 3.8170  0.4580 3.4616  -24.0000  0.50   -0.28  -0.09  -0.11  
1 1 1 32 22 18 o 11.630  0.6037 10.208  -176.2000 0.38   -1.72  0.09   -0.04  
1 1 1 32 22 19 o 2.6542  0.9520 1.5019  -45.5000  0.15   -0.17  0.01   -0.00  
1 1 1 32 22 20 o 4.6221  0.5760 ?       ?         0.03   0.05   -0.00  0.00   
1 1 1 32 22 21 o 7.8480  0.4909 ?       ?         -0.30  -0.03  0.00   0.00   
1 1 1 32 22 22 o 3.7921  0.8138 ?       ?         0.67   0.12   0.02   -0.01  
1 1 1 32 22 23 o 3.6126  0.9925 ?       ?         -0.30  -0.20  -0.00  0.00   
1 1 1 32 23 0  o 29.353  0.3285 29.460  0.0000    0.66   0.00   0.00   0.00   
1 1 1 32 23 1  o 15.102  0.2609 15.063  -152.8000 -0.26  -2.97  1.02   0.16   
1 1 1 32 23 2  o 17.470  0.5988 19.323  125.400   -1.17  -2.59  0.11   -0.09  
1 1 1 32 23 3  o 9.7407  0.1373 11.073  6.5000    1.79   0.19   -0.74  -0.39  
1 1 1 32 23 4  o 3.9129  0.2822 0.8212  -179.1000 0.59   0.29   -0.26  -0.17  
1 1 1 32 23 5  o 17.322  0.1230 18.645  145.600   -1.98  -0.32  -0.69  -1.29  
1 1 1 32 23 6  o 17.606  0.1363 17.175  61.900    0.47   0.02   0.02   -0.27  
1 1 1 32 23 7  o 35.723  0.1825 35.947  -179.2000 -2.34  2.05   2.12   0.13   
1 1 1 32 23 8  o 17.000  0.1533 17.311  103.000   -3.57  -1.64  -3.43  -0.33  
1 1 1 32 23 9  o 6.3989  0.3318 3.4598  -79.6000  0.69   -1.74  0.24   0.14   
1 1 1 32 23 10 o 9.9855  0.4358 12.755  -115.5000 2.70   -1.04  -0.31  0.15   
1 1 1 32 23 11 o 4.5351  0.2984 1.6514  12.100    -0.11  0.03   -0.01  -0.02  
1 1 1 32 23 12 o 19.114  0.2172 18.671  170.100   -0.55  -0.23  -0.04  0.01   
1 1 1 32 23 13 o 12.661  0.2772 11.480  18.200    1.66   0.85   0.06   -0.37  
1 1 1 32 23 14 o 8.2817  0.2384 10.157  71.500    0.66   0.15   -0.09  0.07   
1 1 1 32 23 15 o 3.0708  0.6916 3.3933  -17.5000  -0.12  -0.22  -0.00  -0.01  
1 1 1 32 23 16 o 3.8654  0.5422 4.3129  -16.5000  -0.74  -0.16  -0.03  -0.05  
1 1 1 32 23 17 o 11.614  0.2164 12.169  59.100    0.34   1.47   0.11   0.32   
1 1 1 32 23 18 o 5.6502  0.4579 6.3261  59.400    1.01   0.82   -0.16  -0.03  
1 1 1 32 23 19 o 12.624  0.2408 13.132  -26.1000  1.08   -1.81  0.23   -0.25  
1 1 1 32 23 20 o 7.7811  0.3992 ?       ?         1.01   0.07   0.07   -0.03  
1 1 1 32 23 21 o 13.813  0.3293 ?       ?         -2.90  -2.31  0.19   0.23   
1 1 1 32 23 22 o 3.3451  0.9238 ?       ?         -0.14  -0.13  -0.00  0.00   
1 1 1 32 23 23 o 8.4067  0.4841 ?       ?         0.86   0.54   0.01   0.01   
1 1 1 32 24 0  o 4.1110  0.6267 2.1562  -179.5000 0.09   0.00   0.00   0.00   
1 1 1 32 24 1  o 3.9245  0.5032 2.5745  159.100   -0.19  0.12   0.01   0.05   
1 1 1 32 24 2  o 11.921  0.4826 12.685  40.900    7.25   1.10   -1.99  -0.25  
1 1 1 32 24 3  o 17.061  0.1589 13.855  118.600   -0.51  -1.04  1.50   2.64   
1 1 1 32 24 4  o 13.680  0.1317 12.248  91.700    0.20   0.51   -0.13  -0.35  
1 1 1 32 24 5  o 4.2628  0.3223 4.9225  59.800    -1.80  -0.11  -0.29  -0.07  
1 1 1 32 24 6  o 12.246  0.1198 9.8502  41.600    0.23   0.52   0.37   0.08   
1 1 1 32 24 7  o 19.595  0.1262 18.928  118.900   -0.84  -0.15  -0.02  -0.40  
1 1 1 32 24 8  o 6.6265  0.1905 4.9494  71.100    0.18   -1.00  0.46   0.82   
1 1 1 32 24 9  o 11.843  0.1557 9.4400  -125.1000 -0.42  0.30   -0.28  -0.08  
1 1 1 32 24 10 f 4.5202  0.2916 6.6517  90.300    -0.02  0.22   0.02   0.06   
1 1 1 32 24 11 o 2.4488  0.5039 2.5713  128.100   0.12   -0.06  -0.00  0.01   
1 1 1 32 24 12 o 9.4335  0.2062 7.4260  58.500    -0.33  0.80   0.44   -0.57  
1 1 1 32 24 13 o 5.0228  0.3174 5.0913  36.700    0.46   -0.49  -0.06  0.09   
1 1 1 32 24 14 o 3.1554  0.5819 2.0505  -93.3000  -0.15  -0.75  0.10   0.02   
1 1 1 32 24 15 o 8.3454  0.2354 9.4975  -148.4000 -0.20  0.06   0.03   -0.01  
1 1 1 32 24 16 o 6.0357  0.3314 6.6836  12.700    0.39   0.22   0.08   0.06   
1 1 1 32 24 17 o 6.6971  0.3133 7.1141  -37.2000  0.43   -0.06  0.03   -0.05  
1 1 1 32 24 18 o 5.7787  0.4272 5.6285  69.000    0.44   -0.26  -0.02  -0.04  
1 1 1 32 24 19 o 10.316  0.2868 10.292  75.100    0.66   -0.06  0.03   0.03   
1 1 1 32 24 20 o 6.3836  0.5425 ?       ?         0.21   0.23   -0.00  0.01   
1 1 1 32 24 21 o 4.8429  0.6668 ?       ?         -0.35  0.03   0.01   -0.00  
1 1 1 32 24 22 o 5.6230  0.7851 ?       ?         1.15   0.95   0.05   -0.00  
1 1 1 32 24 23 o 2.5421  1.2057 ?       ?         -0.26  -0.78  0.01   0.05   
1 1 1 32 25 0  o 2.7019  0.7116 3.8516  180.000   0.01   0.00   0.00   0.00   
1 1 1 32 25 1  o 11.675  0.2544 10.849  29.800    1.75   -1.08  -0.46  0.42   
1 1 1 32 25 2  o 16.268  0.2002 14.125  25.700    1.43   0.80   0.20   -0.74  
1 1 1 32 25 3  o 18.117  0.3622 17.273  -66.0000  -0.43  -0.51  0.02   -0.03  
1 1 1 32 25 4  o 6.3092  0.3735 4.4861  -8.1000   1.34   -0.61  -0.18  0.13   
1 1 1 32 25 5  o 1.9711  0.3373 3.2609  50.100    0.37   0.13   -0.02  -0.02  
1 1 1 32 25 6  o 18.169  0.1261 15.359  146.600   -0.60  2.00   1.25   -0.22  
1 1 1 32 25 7  o 22.874  0.1471 22.071  -8.3000   1.13   -0.23  1.05   0.16   
1 1 1 32 25 8  o 13.076  0.2481 12.198  96.300    1.71   2.10   0.40   -0.54  
1 1 1 32 25 9  o 10.850  0.5296 12.534  -64.9000  9.09   -2.77  -1.60  1.83   
1 1 1 32 25 10 o 15.097  0.3912 14.954  -30.4000  3.63   -1.35  -0.26  0.61   
1 1 1 32 25 11 o 2.3603  0.4940 7.1348  131.500   0.07   0.17   -0.05  -0.06  
1 1 1 32 25 12 o 7.2762  0.4070 10.083  103.000   -1.66  0.15   -0.17  -0.03  
1 1 1 32 25 13 o 17.802  0.1668 16.881  150.300   -1.39  1.25   0.61   -0.67  
1 1 1 32 25 14 o 5.5680  0.4325 8.7957  -52.6000  0.69   0.31   -0.01  -0.05  
1 1 1 32 25 15 o 7.2619  0.2874 5.5842  -122.2000 0.29   -0.34  0.07   -0.04  
1 1 1 32 25 16 f 3.0001  0.5653 2.2488  52.500    -0.08  0.23   0.01   -0.00  
1 1 1 32 25 17 o 2.9485  1.0750 2.6832  -149.5000 0.18   -0.56  0.01   0.05   
1 1 1 32 25 18 o 7.7627  0.3165 8.0099  -179.2000 -0.58  0.07   0.06   0.02   
1 1 1 32 25 19 o 12.167  0.3703 10.792  179.900   -2.07  0.21   0.03   0.20   
1 1 1 32 25 20 o 7.4157  0.4879 ?       ?         0.31   -0.05  0.00   -0.00  
1 1 1 32 25 21 o 7.0937  0.5465 ?       ?         0.37   0.06   0.00   0.00   
1 1 1 32 25 22 o 5.1482  0.6688 ?       ?         -0.36  0.98   -0.03  -0.00  
1 1 1 32 25 23 o 4.7825  0.8357 ?       ?         0.39   -0.97  -0.01  0.00   
1 1 1 32 26 0  o 31.118  0.3291 27.326  -0.0000   0.59   0.00   0.00   0.00   
1 1 1 32 26 1  o 25.811  0.3759 27.279  139.500   -5.97  -1.37  -1.03  -2.38  
1 1 1 32 26 2  o 16.657  0.3458 15.221  -155.2000 -2.00  -3.37  1.02   -0.70  
1 1 1 32 26 3  o 21.282  0.2148 18.684  -45.9000  -0.51  -0.19  0.02   -0.08  
1 1 1 32 26 4  o 7.0711  0.8464 9.1432  -54.4000  4.35   -1.55  -0.34  0.22   
1 1 1 32 26 5  o 26.073  0.6509 27.533  -84.4000  -7.75  -8.16  -0.50  -1.98  
1 1 1 32 26 6  f 3.3893  0.2411 1.5909  -68.2000  0.24   -0.76  0.51   0.09   
1 1 1 32 26 7  o 16.854  0.2939 15.650  -37.3000  1.75   -4.42  0.50   1.24   
1 1 1 32 26 8  o 9.8756  0.1459 10.059  39.600    1.01   0.13   -0.52  1.53   
1 1 1 32 26 9  o 5.2803  0.3383 1.6565  175.300   0.18   0.26   0.01   -0.01  
1 1 1 32 26 10 o 4.9093  0.2751 6.5586  -27.4000  0.33   -0.04  0.04   0.21   
1 1 1 32 26 11 o 8.8390  0.1946 6.5508  -65.5000  -0.21  0.21   -0.11  -0.07  
1 1 1 32 26 12 o 9.2595  0.4051 7.1731  -55.1000  0.59   -2.75  0.25   0.24   
1 1 1 32 26 13 o 12.287  0.1947 10.556  -9.4000   0.05   -0.38  -0.01  -0.05  
1 1 1 32 26 14 o 8.3021  0.2364 8.2912  110.200   0.19   -0.23  0.03   -0.01  
1 1 1 32 26 15 o 3.0624  0.5465 2.9382  51.200    0.07   -0.09  -0.01  -0.00  
1 1 1 32 26 16 o 11.246  0.2060 12.543  131.800   0.44   0.50   -0.06  0.10   
1 1 1 32 26 17 o 4.0504  0.5264 3.9923  6.3000    -0.00  0.49   -0.01  0.04   
1 1 1 32 26 18 o 7.1640  0.3579 7.2647  -51.2000  0.08   0.17   -0.00  0.00   
1 1 1 32 26 19 o 5.5686  0.5051 ?       ?         0.39   -0.06  0.01   0.00   
1 1 1 32 26 20 o 7.9949  0.4594 ?       ?         1.07   0.73   0.02   0.06   
1 1 1 32 26 21 o 4.0952  0.7764 ?       ?         -0.49  -0.41  0.02   0.01   
1 1 1 32 26 22 f 4.1687  1.2671 ?       ?         -1.26  0.25   0.03   0.03   
1 1 1 32 26 23 o 5.4850  0.6967 ?       ?         0.21   1.40   -0.01  0.01   
1 1 1 32 27 0  o 10.334  0.3733 11.678  -0.1000   -0.34  0.00   0.00   0.00   
1 1 1 32 27 1  f 20.176  0.2402 26.750  4.6000    3.07   -2.08  0.87   1.74   
1 1 1 32 27 2  o 17.018  0.2308 18.734  -11.0000  0.04   0.14   -0.02  -0.01  
1 1 1 32 27 3  o 14.636  0.2322 14.947  51.400    -0.54  -0.32  0.33   0.50   
1 1 1 32 27 4  o 22.163  0.2945 22.372  15.600    4.70   2.47   0.21   -2.53  
1 1 1 32 27 5  o 8.6764  0.1512 10.970  168.600   0.75   -0.13  -0.58  -0.67  
1 1 1 32 27 6  o 9.8680  0.3485 9.3028  26.800    4.49   -1.45  -0.66  0.77   
1 1 1 32 27 7  o 12.182  0.1330 11.192  -16.1000  1.64   2.93   3.33   -0.92  
1 1 1 32 27 8  o 17.788  0.1470 16.953  -55.8000  1.23   0.27   -0.23  0.24   
1 1 1 32 27 9  o 8.7807  0.1708 10.200  144.800   -0.39  0.33   0.07   -0.59  
1 1 1 32 27 10 o 20.034  0.1495 18.079  26.600    0.59   1.37   0.35   0.39   
1 1 1 32 27 11 o 7.5443  0.4053 9.3633  -65.7000  -1.14  -2.30  0.12   -0.34  
1 1 1 32 27 12 o 10.033  0.1915 7.0479  48.300    0.12   0.47   -0.01  -0.06  
1 1 1 32 27 13 o 8.3291  0.2241 9.4024  -43.9000  -0.38  -1.41  0.32   0.15   
1 1 1 32 27 14 o 7.6569  0.2528 7.8545  -34.4000  -0.16  -1.02  -0.67  0.18   
1 1 1 32 27 15 o 10.713  0.2700 9.6111  -98.7000  -0.89  -1.99  0.42   0.15   
1 1 1 32 27 16 o 4.9881  0.3973 5.7893  149.400   -0.13  0.20   -0.01  0.00   
1 1 1 32 27 17 o 9.9425  0.2785 9.2822  139.300   -0.11  0.07   0.00   -0.00  
1 1 1 32 27 18 o 3.5562  0.8256 4.6003  176.100   -0.15  -0.19  -0.00  -0.00  
1 1 1 32 27 19 o 3.8407  0.7363 ?       ?         -0.26  -0.12  0.01   -0.00  
1 1 1 32 27 20 o 8.5534  0.4327 ?       ?         0.39   0.74   -0.02  0.00   
1 1 1 32 27 21 o 3.4792  0.8423 ?       ?         0.23   0.20   0.00   0.00   
1 1 1 32 27 22 o 1.1246  1.1569 ?       ?         -0.04  0.02   0.00   -0.00  
1 1 1 32 28 0  o 23.115  0.2863 18.885  180.000   -0.26  0.00   0.00   0.00   
1 1 1 32 28 1  f 8.1212  0.3309 6.9655  30.700    0.01   0.12   -0.01  0.03   
1 1 1 32 28 2  o 2.6754  0.5838 2.0608  117.700   -0.04  -0.14  -0.04  0.14   
1 1 1 32 28 3  f 1.8883  0.7979 3.8529  41.800    0.21   0.15   -0.12  -0.00  
1 1 1 32 28 4  o 12.515  0.2321 11.370  43.400    -1.35  0.17   -0.44  -0.41  
1 1 1 32 28 5  o 24.701  0.7138 26.113  -39.8000  6.33   -2.69  -0.83  0.24   
1 1 1 32 28 6  o 9.7738  0.7604 8.3519  112.000   6.64   12.75  1.28   -1.46  
1 1 1 32 28 7  o 14.315  0.2150 12.535  140.600   -0.49  0.60   -0.03  0.06   
1 1 1 32 28 8  o 20.100  0.1395 18.626  -41.1000  0.28   -0.37  -0.08  -0.02  
1 1 1 32 28 9  f 13.442  0.3998 12.198  -87.5000  -2.78  -3.15  -0.17  -0.62  
1 1 1 32 28 10 o 4.2265  0.3278 3.8898  71.800    0.37   0.62   -0.03  -0.17  
1 1 1 32 28 11 o 13.940  0.1539 14.573  -36.6000  1.10   -0.44  -0.21  -0.75  
1 1 1 32 28 12 o 3.3961  0.4454 1.7341  -77.4000  0.04   -0.66  0.09   -0.07  
1 1 1 32 28 13 o 5.9139  0.3351 5.2995  -83.2000  -0.04  -0.78  0.05   -0.06  
1 1 1 32 28 14 o 6.9606  0.2643 5.6475  27.700    0.58   0.41   0.17   -0.05  
1 1 1 32 28 15 o 3.7735  0.4649 2.9436  76.700    0.22   -0.58  -0.16  -0.00  
1 1 1 32 28 16 o 5.9813  0.3610 6.4150  36.700    0.34   0.43   -0.07  0.03   
1 1 1 32 28 17 o 7.4566  0.3222 8.8012  105.000   -1.66  0.37   -0.05  -0.34  
1 1 1 32 28 18 o 1.5254  0.9131 1.4642  37.600    0.14   0.30   -0.04  -0.01  
1 1 1 32 28 19 o 6.0961  0.5094 ?       ?         -1.07  -0.06  0.06   -0.03  
1 1 1 32 28 20 o 2.9332  0.8798 ?       ?         -0.27  -0.16  0.01   0.00   
1 1 1 32 28 21 o 3.1428  0.9042 ?       ?         0.20   0.58   -0.01  0.02   
1 1 1 32 28 22 o 4.2148  0.7791 ?       ?         -0.27  -0.04  0.00   0.00   
1 1 1 32 29 0  f 5.4955  0.4602 3.3561  0.2000    0.19   0.00   0.00   0.00   
1 1 1 32 29 1  o 5.4656  0.3801 5.9674  134.900   -0.97  -0.16  -0.11  -0.11  
1 1 1 32 29 2  o 19.552  0.2061 20.926  -52.5000  0.30   -0.10  0.01   -0.06  
1 1 1 32 29 3  o 8.2614  0.3029 9.5127  -40.2000  0.31   -0.07  -0.01  0.04   
1 1 1 32 29 4  o 18.093  0.2011 17.737  -110.0000 0.32   -0.22  0.07   -0.04  
1 1 1 32 29 5  o 12.620  0.2631 13.647  -52.7000  0.90   2.01   0.52   -0.12  
1 1 1 32 29 6  o 13.890  0.3868 12.943  26.600    0.30   0.72   0.01   -0.02  
1 1 1 32 29 7  o 9.6289  0.1354 8.1661  -175.0000 -1.36  0.51   -0.06  0.61   
1 1 1 32 29 8  o 7.8530  0.5084 5.7940  12.100    4.87   7.32   0.40   -1.94  
1 1 1 32 29 9  o 8.1296  0.2124 8.8163  -64.7000  0.83   -1.17  -0.07  0.31   
1 1 1 32 29 10 f 15.448  0.1727 16.176  -13.9000  -1.06  0.40   0.67   0.14   
1 1 1 32 29 11 o 13.016  0.1817 11.799  -21.0000  2.53   0.40   0.48   -1.36  
1 1 1 32 29 12 o 6.5399  0.2653 4.9341  23.300    0.35   0.48   0.13   0.02   
1 1 1 32 29 13 o 11.848  0.3967 11.610  -85.3000  0.72   -3.35  0.22   0.50   
1 1 1 32 29 14 o 7.8735  0.2528 7.4066  -146.7000 -0.60  0.06   0.04   0.08   
1 1 1 32 29 15 o 3.0039  0.6744 2.5120  15.000    -0.39  0.06   -0.02  -0.01  
1 1 1 32 29 16 o 11.215  0.2362 10.117  35.400    1.33   -0.96  -0.20  -0.13  
1 1 1 32 29 17 o 8.4644  0.3096 7.3249  -123.4000 -0.13  -0.10  0.00   0.00   
1 1 1 32 29 18 o 4.4642  0.6009 ?       ?         0.49   -0.04  0.02   0.00   
1 1 1 32 29 19 o 6.7393  0.5107 ?       ?         -1.29  1.06   0.06   -0.07  
1 1 1 32 29 20 o 5.4480  0.6165 ?       ?         -0.37  0.25   -0.00  -0.00  
1 1 1 32 29 21 o 2.8565  0.9537 ?       ?         0.05   0.24   -0.00  0.00   
1 1 1 32 29 22 o 5.1991  0.6840 ?       ?         0.55   0.04   0.00   -0.00  
1 1 1 32 30 0  f 2.2361  1.0326 6.9176  180.000   -0.06  0.00   0.00   0.00   
1 1 1 32 30 1  o 24.508  0.2145 23.413  34.700    2.28   0.01   1.45   -0.40  
1 1 1 32 30 2  o 4.9038  0.8524 4.5867  -0.2000   -0.79  1.30   0.02   0.12   
1 1 1 32 30 3  o 16.777  0.1941 15.843  118.900   0.29   1.23   -0.13  0.89   
1 1 1 32 30 4  o 7.3032  0.5336 12.518  33.300    1.25   0.40   -0.05  -0.10  
1 1 1 32 30 5  o 13.993  0.2276 14.186  -70.9000  0.32   -0.11  -0.02  -0.01  
1 1 1 32 30 6  o 3.5711  0.4356 3.1776  -133.7000 0.55   -1.06  0.04   0.09   
1 1 1 32 30 7  o 25.476  0.2092 22.777  0.8000    1.24   2.89   0.83   0.33   
1 1 1 32 30 8  o 11.651  0.1359 10.455  -97.2000  0.14   -0.25  0.05   -0.05  
1 1 1 32 30 9  o 6.4769  0.1999 5.1601  -81.3000  0.20   0.21   0.10   0.22   
1 1 1 32 30 10 o 4.1655  0.3209 1.2957  -169.3000 -0.27  -0.03  0.17   0.07   
1 1 1 32 30 11 o 7.8857  0.2128 6.3339  -16.2000  -0.08  -0.79  0.10   0.13   
1 1 1 32 30 12 o 3.1909  0.5869 3.2693  -145.2000 -0.59  0.07   -0.04  -0.01  
1 1 1 32 30 13 o 3.6265  0.4394 2.6781  161.800   0.06   0.32   0.00   -0.01  
1 1 1 32 30 14 o 9.0507  0.2289 7.8849  -146.5000 0.51   -0.89  0.12   -0.05  
1 1 1 32 30 15 o 8.7369  0.3823 8.7956  -0.7000   -0.66  -0.54  0.03   -0.03  
1 1 1 32 30 16 o 10.158  0.2746 11.275  140.500   0.52   0.66   -0.06  0.03   
1 1 1 32 30 17 o 2.4334  0.9482 2.1186  -54.9000  0.03   -0.06  0.00   -0.00  
1 1 1 32 30 18 o 1.9971  1.0236 ?       ?         0.00   -0.13  -0.00  0.00   
1 1 1 32 30 19 o 3.1983  0.8326 ?       ?         -0.14  -0.19  0.00   0.00   
1 1 1 32 30 20 o 2.8166  0.9006 ?       ?         -0.02  0.06   -0.00  -0.00  
1 1 1 32 30 21 o 3.8247  0.8345 ?       ?         0.11   -0.41  -0.00  0.00   
1 1 1 32 31 0  o 15.466  0.3198 15.980  -0.0000   0.33   0.00   0.00   0.00   
1 1 1 32 31 1  o 11.976  0.2476 12.569  171.400   -0.65  -0.72  0.29   -0.07  
1 1 1 32 31 2  o 8.3430  0.2914 6.5536  0.9000    1.64   -0.38  -0.35  -0.07  
1 1 1 32 31 3  o 3.8123  0.5320 2.0050  111.400   0.23   0.12   0.02   -0.03  
1 1 1 32 31 4  f 8.9870  0.3075 5.4379  119.200   -1.55  0.43   -0.51  -0.37  
1 1 1 32 31 5  f 19.712  0.7241 20.058  28.600    5.72   0.30   -0.51  0.21   
1 1 1 32 31 6  o 16.796  0.1865 16.504  -26.0000  -0.06  -2.05  0.31   -0.43  
1 1 1 32 31 7  o 7.1603  0.1417 6.7837  -2.3000   0.56   0.90   -0.11  -0.40  
1 1 1 32 31 8  o 4.3264  0.2372 4.2326  -44.7000  0.43   0.06   -0.05  -0.22  
1 1 1 32 31 9  o 10.541  0.1597 9.7655  -58.4000  0.54   -1.67  -0.09  0.87   
1 1 1 32 31 10 o 6.5162  0.2707 7.0589  -67.7000  0.65   -1.56  0.05   0.37   
1 1 1 32 31 11 o 12.135  0.1690 9.8422  -171.6000 -0.59  0.03   0.12   0.07   
1 1 1 32 31 12 o 3.6636  0.3913 3.2575  -53.7000  0.20   -0.23  -0.04  0.01   
1 1 1 32 31 13 o 5.8719  0.3216 5.5228  125.700   0.48   0.24   0.01   -0.03  
1 1 1 32 31 14 o 6.5319  0.2656 6.2192  133.900   0.67   0.84   -0.26  -0.05  
1 1 1 32 31 15 o 8.0579  0.2922 7.2623  -8.7000   0.83   -0.49  -0.08  -0.05  
1 1 1 32 31 16 o 11.371  0.2603 10.529  -17.3000  -0.01  0.47   -0.01  0.01   
1 1 1 32 31 17 o 3.0442  0.6227 1.8171  132.000   0.27   0.34   -0.03  0.02   
1 1 1 32 31 18 o 4.3360  0.6582 ?       ?         0.74   0.56   -0.02  0.05   
1 1 1 32 31 19 o 2.7844  1.3166 ?       ?         0.37   -0.11  0.00   -0.01  
1 1 1 32 31 20 o 3.3669  0.8489 ?       ?         -0.10  0.12   -0.00  -0.00  
1 1 1 32 31 21 o 7.3232  0.5370 ?       ?         -0.84  0.32   0.00   -0.01  
1 1 1 32 32 0  o 18.491  0.5205 20.715  -0.0000   -0.04  0.00   0.00   0.00   
1 1 1 32 32 1  o 12.104  0.3764 10.919  -90.0000  -0.00  -0.62  0.00   0.00   
1 1 1 32 32 2  f 2.7568  0.9325 8.6631  -180.0000 0.05   0.00   0.00   0.00   
1 1 1 32 32 3  o 1.0488  1.0884 4.1706  -90.0000  -0.00  -0.01  0.00   0.00   
1 1 1 32 32 4  o 8.8826  0.4495 7.6226  -0.0000   0.32   0.00   0.00   0.00   
1 1 1 32 32 5  f 12.566  0.3559 10.036  90.000    0.00   0.63   0.00   0.00   
1 1 1 32 32 6  o 6.4343  0.2968 4.3719  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 32 32 7  o 15.330  0.1709 12.078  -90.0000  -0.00  -0.29  0.00   0.00   
1 1 1 32 32 8  o 2.8810  0.4460 0.5700  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 32 32 9  o 9.8285  0.2238 9.0151  90.000    0.00   0.70   0.00   0.00   
1 1 1 32 32 10 o 1.6733  0.7209 0.2584  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 32 32 11 o 10.973  0.2494 12.067  -90.0000  0.00   0.39   0.00   0.00   
1 1 1 32 32 12 f 2.7386  0.6833 3.8599  180.000   0.04   0.00   0.00   0.00   
1 1 1 32 32 13 o 16.649  0.2281 16.011  -90.0000  -0.00  -2.00  0.00   0.00   
1 1 1 32 32 14 o 12.390  0.2840 12.238  180.000   -0.86  0.00   0.00   0.00   
1 1 1 32 32 15 o 3.3166  0.7952 2.1802  -90.0000  0.00   0.30   0.00   0.00   
1 1 1 32 32 16 o 4.0988  0.7773 3.4764  -0.0000   0.18   0.00   0.00   0.00   
1 1 1 32 32 17 o 7.5697  0.5755 ?       ?         -0.00  -0.55  0.00   0.00   
1 1 1 32 32 18 o 4.1713  0.8669 ?       ?         0.22   0.00   0.00   0.00   
1 1 1 32 32 19 o 0.0000  3.0984 ?       ?         0.00   0.08   0.00   0.00   
1 1 1 32 32 20 o 0.0000  3.2094 ?       ?         -0.17  0.00   0.00   0.00   
1 1 1 32 32 21 o 3.2863  1.2430 ?       ?         -0.00  -0.58  0.00   0.00   
1 1 1 33 0  1  o 17.802  0.1972 20.423  -135.0000 -0.18  -0.18  0.00   0.00   
1 1 1 33 0  2  o 14.646  0.1621 10.426  0.5000    0.04   0.00   0.00   0.00   
1 1 1 33 0  3  o 11.318  0.1697 8.9199  -45.1000  -0.11  0.11   0.00   0.00   
1 1 1 33 0  4  o 2.3875  0.5220 7.6361  -90.2000  0.00   0.00   0.00   0.00   
1 1 1 33 0  5  o 20.734  0.1722 21.703  -135.0000 -0.07  -0.07  0.00   0.00   
1 1 1 33 0  6  o 2.9496  0.4761 7.8456  0.4000    -0.01  0.00   0.00   0.00   
1 1 1 33 0  7  o 21.776  0.1867 17.992  135.100   -0.16  0.16   0.00   0.00   
1 1 1 33 0  8  o 1.7607  0.7056 4.9139  -90.3000  -0.00  -0.02  0.00   0.00   
1 1 1 33 0  9  o 17.930  0.1849 17.697  45.000    0.21   0.21   0.00   0.00   
1 1 1 33 0  10 o 28.785  0.2616 26.974  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 33 0  11 o 19.621  0.1968 23.168  -45.0000  0.17   -0.17  0.00   0.00   
1 1 1 33 0  12 o 6.0745  0.3423 0.9751  90.500    -0.00  -0.00  0.00   0.00   
1 1 1 33 0  13 o 15.915  0.2047 9.3579  45.000    -0.18  -0.18  0.00   0.00   
1 1 1 33 0  14 o 16.480  0.2156 17.561  -0.0000   0.21   0.00   0.00   0.00   
1 1 1 33 0  15 o 2.1213  0.7471 1.4228  135.000   -0.01  0.01   0.00   0.00   
1 1 1 33 0  16 o 1.8974  0.8226 0.6351  -90.0000  0.00   0.07   0.00   0.00   
1 1 1 33 0  17 o 9.5603  0.2991 7.4943  45.000    0.10   0.10   0.00   0.00   
1 1 1 33 0  18 o 5.0100  0.4473 4.9333  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 33 0  19 o 3.0166  0.7293 2.6367  135.000   -0.00  0.00   0.00   0.00   
1 1 1 33 0  20 o 3.5355  0.6969 0.7980  90.000    -0.00  -0.05  0.00   0.00   
1 1 1 33 0  21 o 13.733  0.3062 13.310  -135.0000 -0.58  -0.58  0.00   0.00   
1 1 1 33 0  22 o 2.8810  0.9214 ?       ?         -0.01  0.00   0.00   0.00   
1 1 1 33 0  23 o 1.3784  1.3729 ?       ?         0.01   -0.01  0.00   0.00   
1 1 1 33 0  24 o 2.7386  1.5196 ?       ?         -0.00  -0.18  0.00   0.00   
1 1 1 33 1  0  o 29.535  0.2168 26.710  0.0000    0.51   0.00   0.00   0.00   
1 1 1 33 1  1  o 7.7218  0.1542 6.9262  140.100   -0.08  0.22   0.24   0.02   
1 1 1 33 1  2  o 35.058  0.2005 33.826  -139.1000 0.51   -0.89  0.22   0.10   
1 1 1 33 1  3  o 26.431  0.2158 25.968  165.600   -1.72  2.98   1.70   1.34   
1 1 1 33 1  4  o 16.547  0.1270 21.853  -42.4000  -0.06  -0.03  -0.01  -0.00  
1 1 1 33 1  5  f 22.799  0.1347 22.625  107.400   0.59   1.10   0.03   -1.21  
1 1 1 33 1  6  o 16.648  0.3724 15.820  -138.6000 -3.52  -4.16  0.50   -1.56  
1 1 1 33 1  7  o 26.977  0.2820 23.776  108.000   2.63   2.35   -0.73  -1.32  
1 1 1 33 1  8  o 49.732  0.2234 55.654  176.400   -1.46  -0.05  1.34   -0.94  
1 1 1 33 1  9  o 7.6438  0.2770 2.8225  -84.2000  0.51   -0.44  -0.02  0.06   
1 1 1 33 1  10 o 16.725  0.2080 17.028  8.5000    2.24   0.44   -0.62  -0.52  
1 1 1 33 1  11 o 21.845  0.1492 24.021  -63.5000  0.48   -0.86  0.32   0.12   
1 1 1 33 1  12 f 7.4540  0.2111 4.8568  -113.6000 0.03   0.31   0.02   -0.01  
1 1 1 33 1  13 o 18.000  0.1593 16.240  123.100   -0.40  0.39   -0.37  -0.10  
1 1 1 33 1  14 o 10.792  0.1751 7.1487  -85.4000  1.25   -0.59  -0.04  0.65   
1 1 1 33 1  15 o 4.8913  0.6547 3.4359  52.100    0.76   1.88   0.16   -0.11  
1 1 1 33 1  16 o 11.667  0.1912 9.2309  56.500    -0.11  -0.19  -0.06  -0.00  
1 1 1 33 1  17 o 7.0279  0.2782 5.8599  -90.7000  0.38   -0.22  0.07   0.08   
1 1 1 33 1  18 o 13.692  0.1871 15.284  -161.3000 -0.89  -0.64  0.18   -0.12  
1 1 1 33 1  19 o 5.3318  0.3614 4.9674  44.500    0.22   -0.26  -0.03  0.02   
1 1 1 33 1  20 o 10.414  0.2405 10.881  56.500    0.99   -0.12  0.11   0.18   
1 1 1 33 1  21 o 1.8004  0.7703 1.5822  -55.7000  0.09   -0.02  0.01   -0.01  
1 1 1 33 1  22 o 7.6173  0.3346 ?       ?         -0.20  0.09   0.00   -0.01  
1 1 1 33 1  23 o 3.7119  0.7454 ?       ?         -0.49  0.01   0.02   0.02   
1 1 1 33 1  24 o 3.2349  1.1894 ?       ?         0.56   0.24   0.02   0.02   
1 1 1 33 2  0  o 22.468  0.2291 15.741  0.1000    0.20   0.00   0.00   0.00   
1 1 1 33 2  1  o 19.033  0.1472 20.789  -9.5000   1.43   2.47   4.79   -2.66  
1 1 1 33 2  2  o 19.373  0.1249 18.292  71.900    -0.06  -0.19  -0.17  -0.16  
1 1 1 33 2  3  o 30.391  0.1503 23.838  -135.4000 0.15   -0.47  -0.14  0.33   
1 1 1 33 2  4  o 21.923  0.1953 22.055  11.300    -0.50  2.85   1.46   0.12   
1 1 1 33 2  5  o 33.073  0.3758 30.139  86.700    -1.73  1.22   -0.03  0.22   
1 1 1 33 2  6  o 18.644  0.4673 21.477  -7.8000   7.56   -2.37  -1.68  1.53   
1 1 1 33 2  7  o 35.039  0.7712 38.493  -84.1000  5.99   -11.76 2.20   2.04   
1 1 1 33 2  8  o 20.626  0.2016 20.279  71.200    -2.34  -1.89  -0.78  -1.36  
1 1 1 33 2  9  o 7.4085  0.3678 9.7924  93.500    4.80   4.69   -0.38  -3.17  
1 1 1 33 2  10 o 18.137  0.1419 19.011  165.800   -0.05  -0.22  -0.10  -0.14  
1 1 1 33 2  11 o 12.217  0.5438 8.0599  -82.2000  -5.35  -6.88  0.52   -1.48  
1 1 1 33 2  12 o 29.845  0.3472 26.099  59.800    -0.68  2.28   0.16   0.30   
1 1 1 33 2  13 o 18.244  0.1497 21.112  125.200   -0.12  0.06   0.03   -0.02  
1 1 1 33 2  14 o 7.4340  0.2261 7.4088  -145.5000 -0.02  -0.21  -0.04  -0.13  
1 1 1 33 2  15 o 3.8788  0.5361 6.6766  4.9000    0.56   0.17   -0.02  -0.03  
1 1 1 33 2  16 o 13.392  0.2977 14.768  76.300    1.08   1.50   -0.04  -0.28  
1 1 1 33 2  17 o 10.335  0.2063 9.5450  132.200   0.37   0.25   0.16   0.06   
1 1 1 33 2  18 f 4.3022  0.4044 4.1668  139.400   -0.33  0.20   -0.02  0.01   
1 1 1 33 2  19 o 3.7979  0.5550 4.8872  -135.7000 0.28   -0.12  -0.01  0.00   
1 1 1 33 2  20 o 4.6678  0.4627 5.2154  -65.3000  -0.55  0.04   -0.01  0.07   
1 1 1 33 2  21 o 3.6798  0.9264 3.9619  -168.7000 -0.27  0.23   0.00   0.01   
1 1 1 33 2  22 o 8.2435  0.3079 ?       ?         0.05   0.06   0.00   0.00   
1 1 1 33 2  23 o 1.2115  1.1196 ?       ?         -0.33  -0.21  0.04   0.01   
1 1 1 33 2  24 o 4.5665  0.9650 ?       ?         0.02   0.35   -0.01  0.00   
1 1 1 33 3  0  o 18.377  0.2204 10.568  0.1000    -0.03  0.00   0.00   0.00   
1 1 1 33 3  1  o 16.897  0.1193 18.529  -156.0000 -0.10  0.01   0.09   -0.07  
1 1 1 33 3  2  f 15.601  0.7434 12.238  153.200   -18.92 4.77   -4.81  2.99   
1 1 1 33 3  3  o 28.089  0.1677 28.614  104.600   -0.48  0.62   -0.07  0.19   
1 1 1 33 3  4  o 19.333  0.2862 21.703  86.000    4.22   0.82   -1.42  -0.33  
1 1 1 33 3  5  o 33.140  0.3356 33.038  -39.3000  6.44   0.70   -2.31  -1.13  
1 1 1 33 3  6  o 3.8560  0.2853 3.8493  141.500   -0.20  0.61   0.56   0.82   
1 1 1 33 3  7  o 27.432  0.1649 26.612  -67.7000  -2.42  -0.82  -0.60  -2.11  
1 1 1 33 3  8  f 13.644  0.1803 13.757  7.5000    1.49   -1.21  0.02   0.80   
1 1 1 33 3  9  f 39.182  0.4226 33.636  101.200   1.72   3.91   0.28   -0.88  
1 1 1 33 3  10 o 32.757  0.1753 32.741  -4.1000   -0.16  0.20   -0.07  -0.03  
1 1 1 33 3  11 o 22.404  0.3280 22.866  25.900    2.49   2.11   0.06   -0.61  
1 1 1 33 3  12 o 14.570  0.9097 14.876  20.800    15.64  9.48   -1.22  -3.13  
1 1 1 33 3  13 o 15.333  0.1650 15.150  -12.5000  0.18   -0.01  0.07   0.03   
1 1 1 33 3  14 o 3.2476  0.4066 4.9542  -163.4000 -0.04  0.01   0.01   -0.01  
1 1 1 33 3  15 o 17.121  0.1700 15.932  -104.6000 -1.16  -1.00  -0.46  -0.23  
1 1 1 33 3  16 o 9.3806  0.2211 7.6835  116.600   0.83   1.86   0.13   -0.79  
1 1 1 33 3  17 o 6.8631  0.2928 6.3796  61.800    0.39   0.06   -0.05  0.06   
1 1 1 33 3  18 o 17.302  0.1755 18.114  66.100    0.01   0.27   -0.02  0.00   
1 1 1 33 3  19 o 4.3499  0.4357 4.7553  2.1000    0.14   -0.61  0.07   -0.04  
1 1 1 33 3  20 o 6.7812  0.3306 6.7407  127.100   0.23   0.13   0.03   0.00   
1 1 1 33 3  21 o 5.2919  0.4270 6.4676  -17.7000  -0.16  0.07   -0.00  -0.00  
1 1 1 33 3  22 f 8.5925  0.6344 ?       ?         1.37   1.20   -0.12  -0.04  
1 1 1 33 3  23 o 7.6241  0.4611 ?       ?         -0.74  1.21   -0.09  -0.09  
1 1 1 33 3  24 o 7.6326  0.6341 ?       ?         -0.69  -0.59  -0.02  0.01   
1 1 1 33 4  0  o 43.578  0.2793 37.551  -180.0000 -0.75  0.00   0.00   0.00   
1 1 1 33 4  1  o 4.7769  0.3018 7.7616  118.800   0.23   2.16   0.58   -0.09  
1 1 1 33 4  2  o 8.6977  0.1680 13.974  32.700    0.92   -0.75  -0.15  0.40   
1 1 1 33 4  3  o 23.423  0.1319 21.708  -95.4000  -0.54  -0.40  -1.56  0.84   
1 1 1 33 4  4  o 27.672  0.5299 26.017  -31.1000  7.32   -9.25  1.23   3.24   
1 1 1 33 4  5  o 20.710  0.2175 20.261  79.300    -0.84  1.44   0.11   0.38   
1 1 1 33 4  6  o 13.960  0.1973 7.8337  39.000    2.18   -2.72  1.14   2.28   
1 1 1 33 4  7  o 29.141  0.1579 26.168  -103.7000 0.32   0.32   -0.18  -0.08  
1 1 1 33 4  8  o 18.839  0.4187 21.538  141.700   -7.21  -0.80  -1.83  -0.66  
1 1 1 33 4  9  o 33.122  0.1944 29.579  -85.0000  0.06   -0.04  -0.00  -0.00  
1 1 1 33 4  10 o 18.441  0.3984 19.464  -168.9000 1.68   -3.65  0.36   0.62   
1 1 1 33 4  11 o 28.025  0.3042 25.462  -34.6000  1.75   4.02   1.17   -0.57  
1 1 1 33 4  12 o 23.264  0.4239 25.326  165.300   -0.92  -0.21  -0.03  -0.02  
1 1 1 33 4  13 o 22.740  0.1549 21.385  161.100   -1.24  -0.53  0.58   -0.76  
1 1 1 33 4  14 o 11.137  0.1728 10.526  87.900    -0.62  0.21   -0.01  0.16   
1 1 1 33 4  15 o 9.2065  0.2019 9.1716  104.800   0.31   -0.98  0.07   0.42   
1 1 1 33 4  16 o 5.4926  0.7894 4.4340  138.500   -4.55  -1.66  -0.54  -0.33  
1 1 1 33 4  17 o 7.3601  0.2930 5.6926  -149.2000 -1.33  0.01   -0.23  0.18   
1 1 1 33 4  18 o 6.9441  0.2765 7.2972  124.000   -0.01  0.14   -0.00  0.01   
1 1 1 33 4  19 o 9.7542  0.3564 9.9572  93.500    0.69   3.39   0.32   -1.02  
1 1 1 33 4  20 f 10.529  0.2368 13.366  110.500   -0.10  0.57   -0.10  -0.05  
1 1 1 33 4  21 o 7.9206  0.2914 7.2447  57.500    0.44   0.42   0.01   0.12   
1 1 1 33 4  22 f 3.0619  0.7627 ?       ?         0.09   -0.13  0.00   -0.00  
1 1 1 33 4  23 o 9.4062  0.4431 ?       ?         0.67   -0.05  0.00   -0.02  
1 1 1 33 4  24 o 5.2396  0.8522 ?       ?         -0.41  0.89   -0.04  0.01   
1 1 1 33 4  25 o 3.0331  1.9944 ?       ?         0.09   0.14   0.00   0.00   
1 1 1 33 5  0  o 20.618  0.2112 20.980  0.0000    -0.29  0.00   0.00   0.00   
1 1 1 33 5  1  o 8.3604  0.1429 5.8873  105.000   -0.12  -0.66  0.62   -0.56  
1 1 1 33 5  2  o 9.2463  0.2639 9.0310  -106.1000 -3.75  0.09   -1.73  0.28   
1 1 1 33 5  3  o 30.129  0.1539 27.787  48.500    0.38   1.02   -2.03  3.69   
1 1 1 33 5  4  o 49.347  0.5981 46.438  -39.6000  9.07   -5.03  -2.42  2.04   
1 1 1 33 5  5  o 32.624  0.2458 30.301  -28.9000  2.35   -0.13  -0.62  -0.13  
1 1 1 33 5  6  o 5.3461  0.2175 4.2371  69.100    0.68   0.12   -0.17  -0.09  
1 1 1 33 5  7  o 32.069  0.4467 27.305  32.900    3.68   -1.49  -0.57  0.32   
1 1 1 33 5  8  f 20.777  0.1693 15.300  -147.2000 0.61   -0.17  1.99   0.73   
1 1 1 33 5  9  o 5.5783  0.2378 1.6565  14.700    0.08   0.16   -0.01  -0.17  
1 1 1 33 5  10 o 24.149  0.7408 29.106  -146.6000 -10.34 -2.47  -1.11  -0.74  
1 1 1 33 5  11 o 8.2255  0.4304 7.8047  -106.9000 -2.49  -1.03  -0.31  -0.23  
1 1 1 33 5  12 o 16.315  0.1489 15.787  -81.8000  0.33   0.73   0.48   1.46   
1 1 1 33 5  13 o 11.613  0.2133 9.7089  154.000   -0.04  2.60   0.98   0.45   
1 1 1 33 5  14 o 4.3598  0.3543 3.2674  -3.7000   -0.22  -0.43  0.01   -0.09  
1 1 1 33 5  15 o 7.5663  0.2468 4.9599  -165.7000 -0.53  0.15   -0.03  0.13   
1 1 1 33 5  16 o 16.804  0.1864 19.469  -147.7000 -1.48  1.69   0.73   0.50   
1 1 1 33 5  17 o 6.8971  0.2892 7.2859  150.400   -0.47  0.32   0.36   -0.31  
1 1 1 33 5  18 o 8.2766  0.2627 9.0716  130.500   -0.24  0.27   -0.07  -0.07  
1 1 1 33 5  19 o 7.2024  0.3049 8.0263  -91.1000  -0.05  -0.20  -0.02  -0.01  
1 1 1 33 5  20 o 1.9281  0.7013 3.0943  156.700   -0.17  -0.02  0.04   0.02   
1 1 1 33 5  21 o 12.721  0.2182 14.107  87.500    1.00   1.45   -0.34  -0.05  
1 1 1 33 5  22 o 6.3500  0.4106 ?       ?         -0.16  0.59   -0.06  0.00   
1 1 1 33 5  23 o 7.1130  0.4679 ?       ?         0.76   -0.32  0.02   0.01   
1 1 1 33 5  24 o 8.1519  0.7881 ?       ?         -0.90  0.70   -0.02  -0.01  
1 1 1 33 5  25 o 5.0000  1.5608 ?       ?         0.48   0.10   0.00   0.00   
1 1 1 33 6  0  f 3.4205  0.3912 4.6614  0.2000    -0.01  0.00   0.00   0.00   
1 1 1 33 6  1  o 16.751  0.5995 16.693  -20.8000  11.92  0.81   -3.26  -0.17  
1 1 1 33 6  2  o 16.819  0.5467 14.349  -22.5000  2.89   0.25   -0.23  -0.02  
1 1 1 33 6  3  o 27.051  0.1435 26.417  -94.3000  0.29   -0.13  0.06   -0.43  
1 1 1 33 6  4  o 4.8153  0.4533 10.899  135.100   -4.65  2.12   -0.96  1.01   
1 1 1 33 6  5  o 26.860  0.4164 26.828  35.400    7.02   -4.21  -0.83  2.30   
1 1 1 33 6  6  o 12.174  0.3686 15.543  -150.1000 -4.64  -0.11  -1.19  0.07   
1 1 1 33 6  7  o 29.001  0.4259 25.965  120.600   -3.96  2.90   -0.09  0.95   
1 1 1 33 6  8  o 25.685  0.4112 26.728  41.900    2.28   4.02   0.28   -0.90  
1 1 1 33 6  9  o 28.620  0.1558 31.957  -112.0000 -1.44  -1.20  -4.13  0.60   
1 1 1 33 6  10 o 14.286  0.1671 12.399  99.700    0.39   0.83   0.07   -0.25  
1 1 1 33 6  11 o 16.651  0.2638 18.048  -66.4000  0.81   0.84   0.05   -0.13  
1 1 1 33 6  12 o 10.557  0.6134 13.350  -43.8000  4.92   -0.66  -0.52  0.08   
1 1 1 33 6  13 o 9.7515  0.1839 9.9803  152.900   0.00   -0.05  -0.01  0.00   
1 1 1 33 6  14 o 7.5672  0.4462 13.130  94.700    2.04   0.27   -0.26  0.00   
1 1 1 33 6  15 o 6.7262  0.3504 6.0869  90.700    1.65   0.81   -0.30  -0.19  
1 1 1 33 6  16 o 13.015  0.1788 11.688  29.400    0.39   0.11   -0.00  -0.06  
1 1 1 33 6  17 o 4.8885  0.3691 3.9192  128.000   0.32   0.50   -0.01  -0.06  
1 1 1 33 6  18 o 7.4484  0.3689 7.7792  -61.3000  0.71   0.83   0.10   -0.09  
1 1 1 33 6  19 o 7.0799  0.2993 6.8056  -33.6000  0.01   0.05   -0.00  -0.00  
1 1 1 33 6  20 o 4.3170  0.6429 4.1085  -107.0000 0.29   -0.48  0.02   0.01   
1 1 1 33 6  21 o 7.1066  0.3623 5.4500  -173.4000 -0.38  0.12   0.00   0.02   
1 1 1 33 6  22 o 8.3307  0.3586 ?       ?         -0.05  0.52   -0.03  -0.01  
1 1 1 33 6  23 o 2.5698  0.8364 ?       ?         0.19   0.55   -0.06  0.03   
1 1 1 33 6  24 o 2.8386  1.3259 ?       ?         -0.16  0.46   -0.03  0.00   
1 1 1 33 6  25 o 9.4816  1.1242 ?       ?         0.17   0.94   0.00   0.00   
1 1 1 33 7  0  o 1.1832  0.6093 2.7328  -0.9000   0.01   0.00   0.00   0.00   
1 1 1 33 7  1  o 14.718  0.4876 19.280  169.600   -6.07  1.45   -1.18  0.47   
1 1 1 33 7  2  o 21.669  0.1780 20.394  115.000   -1.89  0.89   -0.97  0.55   
1 1 1 33 7  3  f 24.159  0.1380 20.442  33.200    0.77   0.58   0.10   -0.49  
1 1 1 33 7  4  o 13.985  0.1358 12.492  -118.2000 -0.89  -0.79  0.16   -0.83  
1 1 1 33 7  5  o 17.663  0.1209 7.3765  161.100   -0.21  0.06   -0.05  -0.32  
1 1 1 33 7  6  o 16.135  0.2246 15.165  -162.8000 -1.36  -0.80  -0.27  -0.29  
1 1 1 33 7  7  o 26.782  0.1540 28.601  -64.2000  0.14   -0.72  -0.07  -1.59  
1 1 1 33 7  8  o 13.429  0.2851 12.724  -36.7000  4.25   0.83   -1.41  -0.89  
1 1 1 33 7  9  o 23.228  0.4287 22.473  -35.0000  3.62   -5.47  1.03   1.39   
1 1 1 33 7  10 o 20.189  0.2682 23.918  -94.2000  2.33   -0.94  -0.42  0.23   
1 1 1 33 7  11 o 4.7641  0.2799 3.6136  -48.3000  -0.07  -0.07  -0.11  0.04   
1 1 1 33 7  12 o 12.863  0.1541 13.188  -42.7000  0.44   0.14   -0.16  0.70   
1 1 1 33 7  13 o 7.9864  0.2266 4.5982  15.800    -0.26  0.12   0.22   0.10   
1 1 1 33 7  14 o 9.5129  0.6721 8.4066  122.200   -2.14  3.63   0.26   0.31   
1 1 1 33 7  15 o 10.705  0.2448 11.657  148.000   2.12   2.41   -0.67  -1.37  
1 1 1 33 7  16 o 16.804  0.2528 16.173  139.600   -1.97  0.51   -0.42  -0.06  
1 1 1 33 7  17 o 9.7054  0.2314 10.046  142.500   -0.43  0.11   0.09   0.09   
1 1 1 33 7  18 o 2.9416  0.5208 0.7736  65.900    0.15   0.10   0.04   -0.00  
1 1 1 33 7  19 o 9.9114  0.2425 8.4683  -91.5000  -0.27  -0.26  -0.04  0.01   
1 1 1 33 7  20 o 10.448  0.3247 9.5905  -42.9000  -0.08  -0.65  0.02   0.03   
1 1 1 33 7  21 o 1.0964  0.9496 2.6247  62.900    -0.01  -0.05  -0.00  0.00   
1 1 1 33 7  22 o 2.3873  1.1532 ?       ?         -0.14  -0.21  -0.00  -0.01  
1 1 1 33 7  23 o 5.0824  0.5917 ?       ?         0.49   -0.23  0.01   -0.02  
1 1 1 33 7  24 o 3.4834  1.0155 ?       ?         0.24   -0.01  0.00   -0.00  
1 1 1 33 7  25 o 3.5496  1.8447 ?       ?         0.10   0.68   0.00   0.00   
1 1 1 33 8  0  o 15.919  0.1955 12.691  -0.2000   0.26   0.00   0.00   0.00   
1 1 1 33 8  1  o 15.326  0.5421 14.208  -100.1000 0.45   -8.81  2.09   0.39   
1 1 1 33 8  2  o 12.613  0.2317 8.2207  39.600    0.45   1.48   0.21   -0.11  
1 1 1 33 8  3  o 16.546  0.2785 18.196  170.600   -5.55  -4.89  -0.03  -3.84  
1 1 1 33 8  4  o 38.393  0.6392 36.386  40.200    10.55  3.78   -2.20  -1.23  
1 1 1 33 8  5  f 11.484  0.1605 14.727  36.800    0.19   -0.72  0.13   0.13   
1 1 1 33 8  6  o 27.061  0.3314 25.719  -160.2000 0.13   1.33   0.12   -0.06  
1 1 1 33 8  7  o 13.947  0.1352 12.568  86.100    0.04   0.55   0.17   -0.10  
1 1 1 33 8  8  o 16.182  0.4166 10.846  55.900    8.77   -0.96  -3.18  0.24   
1 1 1 33 8  9  o 14.318  0.1391 12.659  49.100    0.93   -0.85  1.61   1.68   
1 1 1 33 8  10 o 24.747  0.1644 23.096  34.100    0.27   0.35   -0.06  -0.07  
1 1 1 33 8  11 o 12.307  0.2816 11.644  175.500   -4.29  0.12   -1.70  0.54   
1 1 1 33 8  12 o 8.5105  0.2092 8.1335  124.200   -0.47  -0.01  -0.04  -0.02  
1 1 1 33 8  13 o 10.830  0.1741 10.994  -123.6000 0.90   0.02   -0.17  -0.11  
1 1 1 33 8  14 o 8.4870  0.3252 9.2032  5.0000    0.80   -0.93  0.08   0.13   
1 1 1 33 8  15 o 14.504  0.1848 13.753  47.700    0.33   1.05   0.02   -0.24  
1 1 1 33 8  16 o 11.935  0.2243 14.050  32.400    2.20   0.93   -0.88  -0.10  
1 1 1 33 8  17 o 11.904  0.2577 10.386  -85.8000  -0.06  -0.83  0.07   0.07   
1 1 1 33 8  18 o 5.0765  0.3729 3.8106  101.600   -0.03  0.05   0.00   -0.00  
1 1 1 33 8  19 f 9.4035  0.2441 9.0347  111.100   0.15   0.11   0.01   0.00   
1 1 1 33 8  20 o 10.662  0.2262 10.109  -67.8000  0.55   -0.41  0.09   -0.08  
1 1 1 33 8  21 o 5.2973  0.4240 4.9121  -118.6000 -0.13  0.17   0.01   -0.01  
1 1 1 33 8  22 o 6.4565  0.7707 ?       ?         -0.08  -0.81  0.01   -0.03  
1 1 1 33 8  23 o 4.4489  0.7352 ?       ?         0.17   0.07   0.00   -0.00  
1 1 1 33 8  24 o 6.6628  0.7087 ?       ?         0.26   -0.22  -0.00  -0.00  
1 1 1 33 8  25 o 6.3561  1.4985 ?       ?         -0.01  0.43   0.00   0.00   
1 1 1 33 9  0  f 20.047  0.1976 9.7317  180.000   0.39   0.00   0.00   0.00   
1 1 1 33 9  1  o 14.636  0.3146 14.776  -162.3000 -3.58  0.79   -0.68  0.40   
1 1 1 33 9  2  o 37.171  0.3174 31.715  -30.2000  2.57   -5.34  2.19   1.42   
1 1 1 33 9  3  o 9.2128  0.5737 6.2532  117.600   -10.82 7.42   -1.00  2.88   
1 1 1 33 9  4  o 18.657  0.1231 16.903  95.900    1.37   0.44   -0.66  -1.09  
1 1 1 33 9  5  o 20.767  0.4603 18.582  52.200    5.69   2.28   -1.09  -0.77  
1 1 1 33 9  6  o 7.1914  0.1835 4.5551  -118.9000 -0.41  -0.53  2.33   -1.48  
1 1 1 33 9  7  o 18.501  0.1579 21.811  -0.6000   -0.27  1.46   0.66   0.71   
1 1 1 33 9  8  o 39.266  0.2285 46.069  134.200   0.20   2.83   0.75   -0.95  
1 1 1 33 9  9  o 24.848  0.2672 22.285  131.400   0.12   0.82   0.07   0.01   
1 1 1 33 9  10 o 23.603  0.2014 25.964  -38.6000  1.86   1.36   0.10   -0.73  
1 1 1 33 9  11 o 15.950  0.5374 15.396  -102.7000 -5.46  -3.07  -0.37  -0.90  
1 1 1 33 9  12 o 8.0778  0.2183 5.0662  172.700   -0.58  -1.00  0.26   -0.19  
1 1 1 33 9  13 f 8.5287  0.2566 8.2162  -164.6000 -1.10  0.87   0.07   0.33   
1 1 1 33 9  14 o 6.9820  0.2707 4.4430  -158.0000 -0.17  -0.73  0.06   -0.08  
1 1 1 33 9  15 f 9.6269  0.1988 5.3908  -33.4000  0.32   0.37   0.29   0.11   
1 1 1 33 9  16 o 6.9999  0.4350 5.3710  54.900    0.43   0.10   -0.01  -0.01  
1 1 1 33 9  17 o 8.3981  0.2376 8.5848  176.700   -0.36  0.64   0.12   0.01   
1 1 1 33 9  18 o 8.0921  0.4626 7.8016  -19.7000  1.55   0.86   -0.15  -0.08  
1 1 1 33 9  19 o 5.2072  0.3852 5.5117  -149.5000 -0.18  -0.30  0.02   0.07   
1 1 1 33 9  20 o 6.2774  0.3430 5.9724  -41.6000  0.24   0.34   0.01   0.08   
1 1 1 33 9  21 o 11.441  0.2477 11.828  148.000   0.20   -0.97  -0.12  -0.12  
1 1 1 33 9  22 o 7.1257  0.3704 ?       ?         -0.02  -0.01  0.00   0.00   
1 1 1 33 9  23 o 9.3636  0.5728 ?       ?         0.00   -1.10  -0.02  0.04   
1 1 1 33 9  24 o 3.5250  1.6507 ?       ?         -0.07  -0.06  0.00   0.00   
1 1 1 33 9  25 o 5.2915  1.6435 ?       ?         -0.45  0.03   0.00   0.00   
1 1 1 33 10 0  o 3.6878  0.3230 8.5602  0.2000    0.04   0.00   0.00   0.00   
1 1 1 33 10 1  o 29.006  0.1550 29.779  165.600   -0.59  -1.64  0.33   -0.73  
1 1 1 33 10 2  o 54.977  0.2421 47.923  -125.4000 -0.85  -0.55  0.67   0.58   
1 1 1 33 10 3  o 13.810  0.3314 14.996  94.000    4.38   -0.27  -1.21  0.02   
1 1 1 33 10 4  o 17.432  0.4093 13.256  -74.6000  7.96   -7.05  -1.23  4.68   
1 1 1 33 10 5  o 29.282  0.1907 26.460  161.100   -0.64  -0.50  0.05   -0.14  
1 1 1 33 10 6  o 15.960  0.5416 13.353  64.600    -4.27  9.20   1.22   1.69   
1 1 1 33 10 7  o 39.860  0.2401 39.017  100.300   -1.43  2.47   -0.09  1.10   
1 1 1 33 10 8  o 29.470  0.1962 27.074  21.800    2.03   0.23   -0.54  -0.60  
1 1 1 33 10 9  o 23.760  0.2147 24.937  -169.8000 -0.21  -1.17  0.19   0.01   
1 1 1 33 10 10 o 18.298  0.1368 20.264  171.200   -0.01  0.03   0.00   -0.00  
1 1 1 33 10 11 o 18.105  0.1393 17.389  149.100   -1.28  0.05   -0.55  -0.50  
1 1 1 33 10 12 o 15.370  0.2133 15.733  -48.8000  3.78   -1.74  -0.58  2.09   
1 1 1 33 10 13 o 31.952  0.1928 30.673  33.300    0.68   1.02   -0.31  0.42   
1 1 1 33 10 14 o 11.351  0.1766 11.627  131.200   -0.26  0.26   0.05   0.03   
1 1 1 33 10 15 o 8.0405  0.2336 4.8400  -16.3000  -0.30  -0.59  -0.01  -0.12  
1 1 1 33 10 16 o 20.337  0.6298 20.523  157.900   -12.64 0.94   -2.85  -0.65  
1 1 1 33 10 17 o 7.6233  0.2604 6.9441  -48.6000  0.09   -1.09  0.21   -0.21  
1 1 1 33 10 18 o 4.0606  0.5733 4.2346  -55.8000  -0.15  -0.50  0.01   -0.02  
1 1 1 33 10 19 o 1.1813  0.8364 0.3668  143.100   0.01   0.20   0.02   0.03   
1 1 1 33 10 20 o 3.0823  0.5651 4.3556  105.700   -0.07  -0.08  0.00   0.00   
1 1 1 33 10 21 o 14.542  0.2375 14.919  -77.5000  -0.77  -1.82  -0.37  0.30   
1 1 1 33 10 22 o 16.085  0.2254 ?       ?         -1.86  0.82   0.10   -0.24  
1 1 1 33 10 23 o 7.9445  0.4432 ?       ?         -0.87  -0.58  0.04   0.05   
1 1 1 33 10 24 o 6.3859  0.6552 ?       ?         -0.11  -0.01  0.00   0.00   
1 1 1 33 10 25 o 4.4050  1.2894 ?       ?         -0.17  -0.46  -0.00  0.00   
1 1 1 33 11 0  o 43.100  0.2789 39.930  -0.0000   -0.06  0.00   0.00   0.00   
1 1 1 33 11 1  o 8.3211  0.3936 4.5167  -25.7000  0.71   -0.30  -0.02  0.02   
1 1 1 33 11 2  o 18.541  0.1192 16.571  -35.4000  -1.02  0.27   -0.66  1.36   
1 1 1 33 11 3  o 22.603  0.1528 23.879  114.300   0.28   0.20   0.17   -0.12  
1 1 1 33 11 4  o 26.735  0.1457 27.743  53.400    2.18   -0.31  -0.91  4.54   
1 1 1 33 11 5  o 25.756  0.3813 28.238  -153.3000 -4.30  0.44   -0.94  0.45   
1 1 1 33 11 6  o 11.506  0.1511 12.177  40.500    0.03   -0.12  -0.08  0.16   
1 1 1 33 11 7  o 23.603  0.1397 23.607  168.800   -0.43  0.89   1.37   -1.74  
1 1 1 33 11 8  o 23.794  0.6151 24.655  -25.8000  6.88   -4.33  -0.61  0.90   
1 1 1 33 11 9  o 17.369  0.1407 19.202  107.100   0.71   2.96   1.54   -2.10  
1 1 1 33 11 10 o 10.098  0.4494 8.4368  -34.5000  5.75   -6.13  0.60   2.83   
1 1 1 33 11 11 o 9.5928  0.2927 9.4707  171.500   -1.32  1.21   -0.10  0.30   
1 1 1 33 11 12 o 5.0598  0.3143 8.5705  -155.0000 1.17   -1.25  -0.08  0.43   
1 1 1 33 11 13 o 7.2911  0.2354 9.1125  0.7000    0.06   0.62   0.15   0.06   
1 1 1 33 11 14 o 6.7584  0.2548 4.7414  166.000   -0.43  -0.13  -0.09  0.48   
1 1 1 33 11 15 o 10.053  0.2070 9.1782  -64.3000  0.40   -0.74  -0.45  -1.32  
1 1 1 33 11 16 o 21.032  0.1615 20.739  48.700    -1.58  0.68   -0.51  -0.37  
1 1 1 33 11 17 o 7.9319  0.3704 7.3383  27.400    -0.18  3.36   0.79   0.64   
1 1 1 33 11 18 f 6.5574  0.3123 6.3708  -153.5000 -0.10  0.09   -0.00  -0.02  
1 1 1 33 11 19 o 4.3928  0.4608 4.8598  -1.7000   0.27   0.02   0.00   0.03   
1 1 1 33 11 20 o 2.6668  0.5975 2.2559  138.200   0.35   -0.22  0.11   0.01   
1 1 1 33 11 21 o 5.2435  0.5253 6.2733  -41.4000  -0.03  0.20   0.00   -0.00  
1 1 1 33 11 22 o 7.8720  0.3614 ?       ?         0.26   0.16   -0.00  0.01   
1 1 1 33 11 23 f 2.5751  0.9483 ?       ?         -0.36  0.21   0.02   -0.02  
1 1 1 33 11 24 o 1.8051  1.2182 ?       ?         -0.22  0.08   0.00   -0.00  
1 1 1 33 11 25 o 4.7997  1.2533 ?       ?         -0.72  0.15   0.00   -0.00  
1 1 1 33 12 0  o 11.086  0.1819 5.6448  0.1000    -0.05  0.00   0.00   0.00   
1 1 1 33 12 1  o 18.047  0.1253 19.548  -54.8000  -1.58  -1.74  -0.49  -2.17  
1 1 1 33 12 2  o 13.582  0.1274 7.8694  90.900    0.97   0.92   -2.74  -2.55  
1 1 1 33 12 3  o 32.413  0.4937 33.138  -109.6000 -0.40  -5.38  1.05   0.12   
1 1 1 33 12 4  o 6.3213  0.6233 6.9297  47.400    7.58   -2.61  -1.16  0.84   
1 1 1 33 12 5  o 26.676  0.1448 23.706  -77.3000  0.39   -0.69  -0.00  0.19   
1 1 1 33 12 6  o 43.972  0.2102 41.362  11.900    1.61   0.34   2.70   1.06   
1 1 1 33 12 7  f 14.993  0.1364 14.544  -44.2000  0.69   -0.10  -0.18  0.18   
1 1 1 33 12 8  f 15.724  0.2945 14.094  19.400    -1.77  3.63   0.57   1.30   
1 1 1 33 12 9  o 10.004  0.4796 11.226  157.300   -8.73  2.10   -2.02  0.82   
1 1 1 33 12 10 o 7.3120  0.1960 7.2783  47.100    -0.28  0.02   0.11   0.52   
1 1 1 33 12 11 o 16.320  0.1510 16.288  22.400    2.15   -0.73  -0.43  1.33   
1 1 1 33 12 12 o 10.201  0.1715 12.030  -52.6000  0.03   0.03   -0.00  0.01   
1 1 1 33 12 13 o 17.859  0.5512 19.277  -118.6000 1.14   -5.05  0.50   0.54   
1 1 1 33 12 14 o 6.5869  0.4696 7.4335  33.000    1.05   -0.51  -0.06  0.05   
1 1 1 33 12 15 o 16.683  0.1592 17.051  45.000    0.84   0.46   0.60   -0.12  
1 1 1 33 12 16 o 5.3326  0.3354 5.2226  -98.3000  -0.03  -0.12  -0.03  -0.01  
1 1 1 33 12 17 o 13.561  0.1884 13.555  -36.5000  0.99   -0.72  -0.07  -0.78  
1 1 1 33 12 18 o 2.7978  0.6018 2.1205  -24.9000  0.10   0.14   0.01   -0.00  
1 1 1 33 12 19 o 8.1472  0.2592 9.5020  98.600    -0.31  0.77   0.12   -0.07  
1 1 1 33 12 20 o 9.0181  0.2556 8.3557  -81.8000  -0.16  -0.31  -0.02  0.02   
1 1 1 33 12 21 o 13.973  0.2520 15.618  -0.9000   2.15   0.25   0.48   0.00   
1 1 1 33 12 22 o 4.7957  0.7197 ?       ?         0.16   0.41   0.01   0.00   
1 1 1 33 12 23 o 5.2636  0.8631 ?       ?         -0.03  -0.42  0.00   0.01   
1 1 1 33 12 24 o 7.2031  1.0348 ?       ?         -0.49  -0.05  0.00   -0.00  
1 1 1 33 12 25 o 8.9113  0.8312 ?       ?         0.06   -1.22  -0.00  -0.00  
1 1 1 33 13 0  o 9.8387  0.1649 7.4403  -179.9000 -0.10  0.00   0.00   0.00   
1 1 1 33 13 1  o 22.963  0.8751 21.658  -128.8000 -14.05 -12.54 -0.07  -3.55  
1 1 1 33 13 2  o 16.017  0.1506 13.938  82.800    -1.91  0.04   -1.81  1.08   
1 1 1 33 13 3  o 16.432  0.5778 20.422  -130.5000 -3.55  -9.74  1.93   -1.34  
1 1 1 33 13 4  o 6.7436  0.3136 7.5748  -130.2000 -1.79  -0.20  -0.31  -0.04  
1 1 1 33 13 5  o 41.882  0.2339 41.145  -81.0000  3.42   -3.56  -2.97  2.86   
1 1 1 33 13 6  o 19.876  0.3789 19.351  96.500    -0.34  6.66   2.06   0.64   
1 1 1 33 13 7  o 14.723  0.1259 15.732  71.800    0.20   0.03   -0.04  0.01   
1 1 1 33 13 8  o 7.4407  0.1753 6.1952  48.700    0.30   -0.07  -0.09  0.13   
1 1 1 33 13 9  o 14.789  0.1696 14.238  28.100    -0.69  0.13   0.43   1.32   
1 1 1 33 13 10 o 23.154  0.1454 23.161  -48.0000  -0.75  -0.01  0.22   -0.57  
1 1 1 33 13 11 o 8.4193  0.2000 7.3191  142.600   0.17   -0.42  0.14   0.02   
1 1 1 33 13 12 o 5.6374  0.3951 5.3985  -157.1000 -1.18  0.44   -0.12  0.06   
1 1 1 33 13 13 o 15.126  0.2214 15.848  -58.3000  2.62   -1.28  0.14   1.30   
1 1 1 33 13 14 o 4.6006  0.3301 3.7066  -140.5000 -0.24  -0.37  -0.01  -0.07  
1 1 1 33 13 15 o 12.224  0.2384 9.6992  -179.0000 -2.93  -0.50  -1.09  0.25   
1 1 1 33 13 16 o 4.9817  0.3872 4.0124  -129.7000 -0.76  -0.10  -0.10  0.04   
1 1 1 33 13 17 o 5.3067  0.3444 5.8419  90.700    -0.40  -0.24  0.03   -0.05  
1 1 1 33 13 18 o 8.1798  0.3705 7.7985  -156.7000 0.32   -0.40  -0.01  0.02   
1 1 1 33 13 19 o 3.3409  0.5158 4.4268  46.700    0.04   -0.08  0.00   -0.00  
1 1 1 33 13 20 o 13.174  0.2050 12.594  -2.6000   0.61   -0.43  0.02   -0.08  
1 1 1 33 13 21 o 8.9433  0.3308 8.4387  -129.8000 -0.12  0.72   0.02   -0.05  
1 1 1 33 13 22 o 8.5756  0.3752 ?       ?         -0.56  0.47   -0.03  -0.02  
1 1 1 33 13 23 f 3.9822  0.7583 ?       ?         -0.02  0.46   -0.01  0.00   
1 1 1 33 13 24 o 3.9044  1.0035 ?       ?         0.43   0.89   -0.02  0.02   
1 1 1 33 13 25 o 2.6044  1.6421 ?       ?         0.03   -0.44  -0.00  -0.00  
1 1 1 33 14 0  o 22.363  0.1885 20.264  -179.9000 -0.33  0.00   0.00   0.00   
1 1 1 33 14 1  o 18.545  0.1173 15.772  18.300    0.68   -0.61  0.98   0.92   
1 1 1 33 14 2  o 30.284  0.2106 25.578  111.500   -1.54  -0.87  -0.47  -0.26  
1 1 1 33 14 3  o 24.720  0.1434 23.302  111.000   0.19   0.38   0.07   -0.02  
1 1 1 33 14 4  f 16.651  0.6208 15.804  110.700   -7.28  12.72  1.48   3.03   
1 1 1 33 14 5  o 17.431  0.1444 14.172  25.000    0.22   0.74   0.44   0.00   
1 1 1 33 14 6  o 14.545  0.1828 16.484  -108.7000 0.67   -0.80  0.11   0.20   
1 1 1 33 14 7  o 40.557  0.2342 43.816  -41.0000  4.37   0.42   -1.23  -2.12  
1 1 1 33 14 8  o 12.679  0.2559 11.353  -24.1000  1.64   -0.70  -0.17  0.26   
1 1 1 33 14 9  o 13.658  0.1468 11.979  45.700    -0.18  0.03   0.24   -0.05  
1 1 1 33 14 10 o 15.393  0.3726 15.469  58.600    1.96   5.61   1.13   -1.48  
1 1 1 33 14 11 o 22.324  0.1469 22.677  105.900   -1.22  1.29   -2.02  -0.06  
1 1 1 33 14 12 o 14.481  0.3722 18.085  -92.9000  1.81   -3.42  0.20   0.70   
1 1 1 33 14 13 o 19.109  0.1564 17.347  165.900   -0.76  -1.18  0.55   0.15   
1 1 1 33 14 14 o 11.775  0.2589 12.187  146.200   0.31   0.10   -0.00  -0.01  
1 1 1 33 14 15 f 4.2950  0.5077 1.9445  -159.9000 0.39   0.64   0.01   -0.05  
1 1 1 33 14 16 o 12.272  0.2805 11.451  30.200    1.44   0.63   0.03   -0.29  
1 1 1 33 14 17 o 10.402  0.2213 12.191  84.300    -0.04  -0.11  -0.01  0.00   
1 1 1 33 14 18 o 7.2621  0.2982 7.4568  36.400    -0.12  -0.36  -0.00  -0.02  
1 1 1 33 14 19 o 6.0067  0.6383 7.5357  -101.6000 0.39   -1.86  0.09   0.17   
1 1 1 33 14 20 o 7.1032  0.3474 6.8724  148.700   0.07   -0.33  -0.03  -0.00  
1 1 1 33 14 21 o 6.4821  0.4067 6.5002  -36.9000  0.68   -0.69  -0.12  -0.13  
1 1 1 33 14 22 o 9.2856  0.3851 ?       ?         0.54   0.74   -0.02  0.03   
1 1 1 33 14 23 f 8.1127  0.5042 ?       ?         -0.65  0.24   0.01   -0.00  
1 1 1 33 14 24 o 1.9131  1.3460 ?       ?         0.30   0.82   -0.05  0.00   
1 1 1 33 15 0  o 39.710  0.2701 41.768  179.900   -0.15  0.00   0.00   0.00   
1 1 1 33 15 1  o 27.468  0.2203 31.229  75.100    1.18   0.76   -0.23  -0.20  
1 1 1 33 15 2  o 21.569  0.3026 19.019  -46.3000  4.63   -2.00  -1.31  0.93   
1 1 1 33 15 3  o 29.519  0.5144 29.506  -95.6000  0.70   -4.09  0.43   0.07   
1 1 1 33 15 4  o 20.532  0.1376 19.262  -92.3000  -0.19  -0.28  0.10   0.72   
1 1 1 33 15 5  o 32.825  0.1755 31.156  34.900    1.04   -0.47  0.59   0.63   
1 1 1 33 15 6  o 16.211  0.6097 17.556  -45.0000  3.24   -11.88 2.56   1.18   
1 1 1 33 15 7  o 13.967  0.1289 14.820  -37.3000  0.08   -0.58  0.53   -0.52  
1 1 1 33 15 8  o 28.449  0.1671 34.333  170.800   -0.16  0.77   0.21   -0.24  
1 1 1 33 15 9  o 13.923  0.1615 13.493  -112.5000 -1.52  -1.05  -1.02  -0.70  
1 1 1 33 15 10 o 28.010  0.3593 29.996  141.000   -2.33  3.53   0.79   0.60   
1 1 1 33 15 11 o 5.1012  0.6665 5.0528  128.200   -3.25  3.68   0.16   0.68   
1 1 1 33 15 12 o 7.3205  0.2229 7.4853  91.600    0.43   -0.42  1.16   -0.42  
1 1 1 33 15 13 o 7.4680  0.3535 9.9304  169.300   -1.93  0.99   -0.35  0.24   
1 1 1 33 15 14 o 13.307  0.1752 14.361  142.100   -0.88  0.35   -0.35  -0.33  
1 1 1 33 15 15 o 4.8759  0.3349 5.9943  126.500   0.84   0.44   -0.24  -0.09  
1 1 1 33 15 16 o 26.625  0.1783 26.541  131.300   -1.89  1.86   -0.68  -0.56  
1 1 1 33 15 17 o 9.4509  0.2425 9.0686  -112.5000 -0.63  -1.46  0.46   0.16   
1 1 1 33 15 18 o 10.865  0.2176 11.296  67.200    0.87   1.02   -0.37  0.52   
1 1 1 33 15 19 o 11.419  0.2557 12.226  -109.9000 -0.23  -0.75  0.05   0.05   
1 1 1 33 15 20 o 7.0798  0.3637 5.3895  -109.3000 -0.76  -0.19  0.07   -0.07  
1 1 1 33 15 21 o 10.291  0.2841 ?       ?         -0.34  0.36   0.01   -0.02  
1 1 1 33 15 22 o 7.4533  0.4770 ?       ?         -0.14  0.52   -0.01  -0.00  
1 1 1 33 15 23 o 4.6327  0.9784 ?       ?         0.57   -0.11  -0.00  -0.02  
1 1 1 33 15 24 o 1.5271  1.2560 ?       ?         0.03   0.16   -0.00  0.00   
1 1 1 33 16 0  o 15.333  0.1550 12.750  180.000   0.02   0.00   0.00   0.00   
1 1 1 33 16 1  o 9.1776  0.3613 7.1134  -140.8000 -3.94  1.47   -0.52  0.52   
1 1 1 33 16 2  o 30.072  0.2368 30.741  40.500    2.98   2.98   0.79   -1.87  
1 1 1 33 16 3  o 38.241  0.4362 41.985  47.600    8.00   -2.15  -1.88  2.20   
1 1 1 33 16 4  o 11.342  0.2998 9.4705  132.400   -4.49  2.10   -1.30  1.18   
1 1 1 33 16 5  o 18.768  0.1473 22.546  146.700   -1.19  0.08   -0.69  -0.41  
1 1 1 33 16 6  f 13.083  0.1308 9.8397  134.600   -0.05  0.22   0.12   -0.16  
1 1 1 33 16 7  o 10.558  0.1433 10.263  74.700    -0.39  0.42   0.15   0.23   
1 1 1 33 16 8  f 7.0457  0.4312 5.9890  -155.7000 -3.55  1.73   -0.38  0.59   
1 1 1 33 16 9  o 22.437  0.3350 25.218  -5.8000   2.47   2.61   0.33   -0.71  
1 1 1 33 16 10 o 15.450  0.1436 14.795  -176.3000 -0.52  -0.22  -0.31  0.14   
1 1 1 33 16 11 o 15.047  0.1624 15.035  -104.4000 -0.35  -1.06  -2.55  0.09   
1 1 1 33 16 12 o 16.624  0.1577 16.226  14.000    -0.36  -0.09  -0.03  0.03   
1 1 1 33 16 13 o 6.6801  0.2527 4.3657  -63.3000  0.18   -0.16  -0.11  -0.08  
1 1 1 33 16 14 o 11.398  0.4480 11.858  141.300   -3.99  1.98   -0.63  0.44   
1 1 1 33 16 15 o 7.1022  0.4969 9.1378  -169.2000 -1.35  -0.55  -0.05  -0.10  
1 1 1 33 16 16 o 6.3348  0.3008 6.8000  39.800    0.42   -0.16  0.01   0.05   
1 1 1 33 16 17 o 9.5104  0.3895 9.2133  -64.1000  -0.20  1.01   0.06   -0.01  
1 1 1 33 16 18 o 9.4260  0.5109 10.012  100.200   2.71   2.15   -0.38  -0.32  
1 1 1 33 16 19 o 13.389  0.3574 13.760  121.800   -1.31  2.50   -0.30  0.38   
1 1 1 33 16 20 o 3.9249  0.5660 3.6562  167.600   0.03   0.26   0.00   0.01   
1 1 1 33 16 21 o 7.7450  0.3693 ?       ?         0.24   0.69   -0.05  -0.01  
1 1 1 33 16 22 o 4.7773  0.6777 ?       ?         -0.14  -0.23  -0.00  0.00   
1 1 1 33 16 23 o 8.1001  0.5161 ?       ?         0.38   0.08   0.00   0.00   
1 1 1 33 16 24 o 5.7172  0.7778 ?       ?         -0.05  -0.14  -0.00  -0.00  
1 1 1 33 17 0  o 46.166  0.3333 39.908  -180.0000 0.72   0.00   0.00   0.00   
1 1 1 33 17 1  o 12.403  0.1084 11.456  37.800    -0.22  -0.25  -0.06  -0.13  
1 1 1 33 17 2  o 25.366  0.6033 22.604  -111.8000 2.73   -13.68 3.18   0.87   
1 1 1 33 17 3  o 13.892  0.5422 15.180  172.700   -6.56  -8.51  0.41   -2.54  
1 1 1 33 17 4  o 9.4334  0.1376 8.8926  169.500   -2.77  -0.31  -2.72  0.11   
1 1 1 33 17 5  o 33.095  0.1794 32.475  59.900    1.82   1.46   -3.82  4.63   
1 1 1 33 17 6  f 14.962  0.1506 12.793  156.200   -0.64  -0.51  3.12   1.55   
1 1 1 33 17 7  o 3.9729  0.2677 2.0733  29.400    -0.29  -0.29  -0.01  -0.04  
1 1 1 33 17 8  o 8.6075  0.3597 7.5190  -36.8000  -2.24  -3.29  0.50   -0.85  
1 1 1 33 17 9  o 5.9001  0.3232 4.2890  6.6000    2.26   -0.30  -0.52  0.05   
1 1 1 33 17 10 o 17.372  0.1676 19.660  -116.1000 -0.89  -0.08  -0.13  0.06   
1 1 1 33 17 11 o 9.3027  0.2623 8.9489  135.100   0.50   -0.01  -0.03  0.01   
1 1 1 33 17 12 o 8.5558  0.2008 11.177  69.800    0.68   0.94   0.91   -0.13  
1 1 1 33 17 13 o 19.052  0.6618 18.987  -93.1000  4.55   -5.12  -0.13  0.73   
1 1 1 33 17 14 o 8.4870  0.4390 8.2160  105.600   -2.49  2.12   -0.26  0.51   
1 1 1 33 17 15 o 16.726  0.1650 16.850  -43.7000  0.84   0.26   0.09   -0.12  
1 1 1 33 17 16 o 5.6664  0.3305 5.1914  -38.5000  -0.60  -0.24  0.09   -0.17  
1 1 1 33 17 17 o 8.8733  0.2483 8.7002  -32.8000  0.17   -0.15  -0.02  -0.01  
1 1 1 33 17 18 o 11.529  0.2259 11.648  71.200    0.77   0.55   -0.11  0.02   
1 1 1 33 17 19 o 3.1199  1.3872 1.7528  -155.5000 -0.28  -0.10  -0.00  -0.01  
1 1 1 33 17 20 o 3.0825  0.6433 1.8793  -165.3000 0.12   0.25   0.00   0.03   
1 1 1 33 17 21 o 11.763  0.2740 ?       ?         0.83   1.28   0.01   0.17   
1 1 1 33 17 22 o 10.224  0.4027 ?       ?         0.64   0.47   0.02   0.01   
1 1 1 33 17 23 o 13.707  0.3574 ?       ?         1.13   0.89   0.02   0.04   
1 1 1 33 17 24 o 2.7766  1.3366 ?       ?         0.07   -0.34  -0.00  -0.00  
1 1 1 33 18 0  f 15.925  0.2046 8.6241  -179.6000 0.35   0.00   0.00   0.00   
1 1 1 33 18 1  o 8.0085  0.5028 8.5143  -170.5000 0.53   -3.16  0.34   0.09   
1 1 1 33 18 2  o 22.605  0.4633 17.757  62.000    9.14   2.84   -2.07  -2.14  
1 1 1 33 18 3  o 17.277  0.2701 21.427  -63.2000  -0.32  -3.01  0.66   -0.30  
1 1 1 33 18 4  o 5.1807  0.5498 4.0578  -5.3000   4.38   -3.74  -0.20  0.94   
1 1 1 33 18 5  o 9.2704  0.4372 9.5338  57.300    3.07   4.63   0.30   -0.93  
1 1 1 33 18 6  o 8.1519  0.6106 6.1762  -133.6000 -3.43  -5.59  0.36   -0.63  
1 1 1 33 18 7  f 21.146  0.1895 19.227  -115.5000 0.07   -1.48  0.27   0.16   
1 1 1 33 18 8  o 36.831  0.2764 32.446  -102.7000 2.50   -2.57  -0.97  0.74   
1 1 1 33 18 9  o 6.0519  0.2370 3.7374  -86.3000  -1.37  -0.83  -0.91  -0.73  
1 1 1 33 18 10 o 8.8734  0.2364 7.9725  -167.1000 -0.97  1.35   0.01   0.35   
1 1 1 33 18 11 o 20.224  0.1532 20.325  -174.2000 -2.49  0.64   1.25   2.61   
1 1 1 33 18 12 o 14.905  0.1592 16.034  149.100   -0.03  0.57   -0.02  0.17   
1 1 1 33 18 13 o 14.706  0.1857 14.014  -81.0000  1.11   -2.45  1.28   -0.05  
1 1 1 33 18 14 o 4.9916  0.3424 5.2417  -6.3000   -0.16  -0.02  0.01   0.06   
1 1 1 33 18 15 o 10.069  0.2034 10.119  -177.8000 -0.26  -0.13  -0.03  0.02   
1 1 1 33 18 16 o 5.6877  0.7692 4.4080  141.800   -1.79  1.07   -0.12  0.10   
1 1 1 33 18 17 o 11.714  0.3970 10.580  -178.9000 -0.37  0.22   -0.01  0.00   
1 1 1 33 18 18 o 11.338  0.2612 11.455  -45.2000  -0.17  -0.27  -0.01  -0.01  
1 1 1 33 18 19 o 3.5194  0.5824 3.3781  49.400    0.53   0.41   0.08   0.14   
1 1 1 33 18 20 o 17.776  0.4672 17.750  -17.9000  0.91   0.04   0.00   -0.02  
1 1 1 33 18 21 o 5.1628  0.7956 ?       ?         -0.78  1.45   0.12   -0.03  
1 1 1 33 18 22 o 7.0124  0.5516 ?       ?         0.35   0.14   0.00   -0.00  
1 1 1 33 18 23 o 5.6763  0.6399 ?       ?         -0.01  0.27   -0.00  0.00   
1 1 1 33 18 24 o 7.7743  0.5275 ?       ?         1.31   -0.78  0.02   -0.04  
1 1 1 33 19 0  o 20.931  0.2035 30.752  0.0000    0.48   0.00   0.00   0.00   
1 1 1 33 19 1  o 12.816  0.1375 15.049  -4.6000   0.25   -0.38  0.96   -1.40  
1 1 1 33 19 2  o 14.131  0.1406 16.879  -150.9000 0.14   -0.34  -0.36  0.42   
1 1 1 33 19 3  f 29.074  0.2880 29.450  32.800    0.69   5.07   2.16   0.33   
1 1 1 33 19 4  o 13.122  0.1132 12.820  143.800   -0.51  0.21   -0.45  -0.00  
1 1 1 33 19 5  o 27.460  0.1541 28.551  75.400    0.29   -0.00  0.08   -0.09  
1 1 1 33 19 6  o 12.124  0.4363 14.546  70.300    -3.35  7.29   0.90   1.28   
1 1 1 33 19 7  f 11.568  0.1414 8.3344  140.300   0.21   -0.40  -0.55  0.33   
1 1 1 33 19 8  o 13.339  0.1554 10.933  83.600    -0.51  0.99   0.59   0.15   
1 1 1 33 19 9  o 7.6398  0.1862 6.8621  73.700    2.85   1.33   -2.44  -1.41  
1 1 1 33 19 10 f 19.365  0.2476 16.354  14.700    2.60   0.51   -0.61  0.08   
1 1 1 33 19 11 o 14.439  0.2404 12.114  14.000    0.12   -0.25  0.01   0.00   
1 1 1 33 19 12 f 14.132  0.3519 12.526  -61.1000  0.35   -6.25  1.89   1.19   
1 1 1 33 19 13 o 6.3054  0.2665 3.3234  -164.3000 -0.86  -0.26  -0.34  0.08   
1 1 1 33 19 14 o 11.591  0.2248 10.627  -134.8000 0.83   -1.74  0.01   0.49   
1 1 1 33 19 15 o 7.2302  0.5970 5.5923  123.500   1.28   -0.12  -0.06  0.04   
1 1 1 33 19 16 f 7.0995  0.3801 4.0284  14.900    -0.59  -0.47  0.02   -0.05  
1 1 1 33 19 17 o 8.0169  0.2561 8.4049  -111.0000 0.27   -0.28  0.01   -0.07  
1 1 1 33 19 18 o 8.2247  0.2736 8.9268  -47.4000  0.80   -0.53  -0.14  -0.18  
1 1 1 33 19 19 o 6.2504  0.5750 5.9389  161.000   -0.90  -0.43  -0.06  0.01   
1 1 1 33 19 20 o 7.9714  0.7550 8.0670  -67.8000  1.93   -3.56  0.50   0.04   
1 1 1 33 19 21 o 6.2600  0.5532 ?       ?         -0.01  0.12   -0.00  0.00   
1 1 1 33 19 22 o 7.0744  0.5708 ?       ?         0.30   1.02   0.00   0.03   
1 1 1 33 19 23 o 4.2927  0.7742 ?       ?         -0.19  -0.67  -0.00  0.02   
1 1 1 33 19 24 o 4.8496  0.8100 ?       ?         0.84   -0.45  0.01   -0.00  
1 1 1 33 20 0  o 10.592  0.1992 4.2329  0.5000    -0.14  0.00   0.00   0.00   
1 1 1 33 20 1  f 19.425  0.5509 15.626  -84.4000  4.77   -3.83  -0.28  0.75   
1 1 1 33 20 2  o 9.6461  0.1506 14.007  140.800   -0.51  -0.24  0.70   -1.28  
1 1 1 33 20 3  o 12.417  0.1804 12.852  -64.4000  3.44   -1.54  -1.92  1.28   
1 1 1 33 20 4  o 16.274  0.2499 17.511  -118.2000 -4.40  -0.62  -1.63  -0.07  
1 1 1 33 20 5  o 16.145  0.3562 19.332  -65.5000  1.16   -2.20  0.16   0.17   
1 1 1 33 20 6  o 12.992  0.1463 10.517  -21.6000  -0.68  1.56   0.33   1.35   
1 1 1 33 20 7  o 19.573  0.5600 14.549  28.300    11.49  6.59   -2.32  -2.62  
1 1 1 33 20 8  o 7.5848  0.4337 1.3556  -47.3000  -3.98  -3.36  -0.34  -1.09  
1 1 1 33 20 9  o 26.831  0.1746 22.477  1.8000    0.36   -0.12  0.00   0.02   
1 1 1 33 20 10 o 12.926  0.1444 12.181  -142.9000 -0.58  0.06   -0.07  0.13   
1 1 1 33 20 11 o 3.9141  0.3486 3.3397  -11.5000  0.37   -0.38  0.03   0.06   
1 1 1 33 20 12 o 5.6680  0.2743 5.3933  169.700   -1.40  1.01   -0.49  0.45   
1 1 1 33 20 13 o 16.315  0.1574 15.196  150.900   -1.20  -0.11  -0.10  -0.29  
1 1 1 33 20 14 o 4.4751  0.3618 3.9586  -67.8000  -0.05  0.00   -0.00  -0.00  
1 1 1 33 20 15 o 11.706  0.1968 12.097  -76.8000  0.52   -0.57  -0.21  -0.21  
1 1 1 33 20 16 o 4.3028  0.6004 4.6184  51.900    -0.14  -0.40  0.01   -0.00  
1 1 1 33 20 17 o 13.843  0.1860 14.450  -177.0000 -0.65  -0.19  0.09   -0.02  
1 1 1 33 20 18 o 4.0877  0.4504 4.8098  18.100    -0.14  -0.06  0.01   -0.00  
1 1 1 33 20 19 o 4.8965  0.5157 5.2058  143.600   -0.25  0.21   0.01   -0.02  
1 1 1 33 20 20 o 3.1122  0.7067 ?       ?         0.05   -0.04  0.00   -0.00  
1 1 1 33 20 21 f 9.2626  0.4223 ?       ?         0.07   -0.67  -0.02  -0.00  
1 1 1 33 20 22 o 4.4213  0.7583 ?       ?         0.16   0.48   -0.01  0.01   
1 1 1 33 20 23 o 4.1861  1.6381 ?       ?         0.49   -0.06  0.00   -0.01  
1 1 1 33 20 24 o 8.8833  0.5094 ?       ?         -2.10  -0.67  0.02   0.04   
1 1 1 33 21 0  o 30.165  0.2482 23.117  0.1000    0.37   0.00   0.00   0.00   
1 1 1 33 21 1  o 13.099  0.1451 13.712  52.500    -0.03  -0.26  -0.40  -0.25  
1 1 1 33 21 2  o 11.260  0.3927 9.1698  -133.3000 3.23   -0.00  -0.43  -0.06  
1 1 1 33 21 3  o 15.015  0.2314 13.854  108.700   2.91   4.28   0.31   -2.90  
1 1 1 33 21 4  o 13.495  0.2233 11.207  -54.6000  -2.72  -0.98  -0.51  -0.70  
1 1 1 33 21 5  f 15.322  0.3336 21.084  159.400   0.35   7.60   2.47   -0.69  
1 1 1 33 21 6  o 9.8740  0.2427 11.327  154.300   -2.24  -0.27  -0.47  -0.23  
1 1 1 33 21 7  o 6.7582  0.1849 11.178  42.900    -0.38  0.22   -0.04  0.03   
1 1 1 33 21 8  o 12.758  0.2961 14.008  43.200    2.14   1.02   -0.17  -0.41  
1 1 1 33 21 9  o 7.0833  0.3291 7.6130  60.600    1.21   -0.46  -0.10  0.06   
1 1 1 33 21 10 o 9.4412  0.3542 10.120  -40.5000  -0.74  -3.06  0.42   -0.38  
1 1 1 33 21 11 o 10.924  0.1699 11.264  122.300   -0.00  0.11   -0.01  0.01   
1 1 1 33 21 12 o 5.6743  0.2766 7.2436  66.700    0.91   0.72   -0.22  -0.22  
1 1 1 33 21 13 o 11.674  0.2205 11.337  28.200    0.52   2.19   1.31   1.16   
1 1 1 33 21 14 o 10.305  0.1992 9.4482  -108.0000 0.34   -0.61  -0.21  -0.32  
1 1 1 33 21 15 o 1.6740  0.6794 1.0979  -68.9000  0.08   -0.07  -0.01  -0.03  
1 1 1 33 21 16 o 12.562  0.3556 12.531  -24.7000  1.98   1.86   0.25   -0.31  
1 1 1 33 21 17 o 5.5609  0.3758 5.2344  172.500   -0.42  -0.40  0.09   -0.00  
1 1 1 33 21 18 o 4.1476  0.5134 4.3357  138.800   -0.28  -0.24  0.03   0.02   
1 1 1 33 21 19 o 4.8574  0.4888 6.0435  -37.8000  0.28   -0.20  -0.01  -0.01  
1 1 1 33 21 20 o 10.533  0.3265 ?       ?         -0.51  -0.17  0.01   -0.00  
1 1 1 33 21 21 o 6.6088  0.7512 ?       ?         -0.06  0.31   -0.00  0.00   
1 1 1 33 21 22 o 7.2181  0.6856 ?       ?         -0.67  -0.27  0.01   -0.01  
1 1 1 33 21 23 o 0.8621  1.1778 ?       ?         0.35   -0.27  0.01   -0.01  
1 1 1 33 22 0  o 14.251  0.1904 14.784  0.0000    -0.09  0.00   0.00   0.00   
1 1 1 33 22 1  o 28.598  0.1645 22.096  143.800   -0.48  0.22   -0.11  -0.03  
1 1 1 33 22 2  o 6.1094  0.1635 3.8817  61.400    0.63   0.78   -0.57  -1.70  
1 1 1 33 22 3  o 24.327  0.1600 23.697  -139.1000 -2.58  0.84   1.82   4.63   
1 1 1 33 22 4  o 5.8441  0.1689 3.5551  -134.5000 0.74   0.01   -0.33  0.10   
1 1 1 33 22 5  o 19.005  0.1264 20.691  30.600    0.26   -0.28  0.14   0.01   
1 1 1 33 22 6  o 9.7918  0.3297 10.632  165.600   -1.47  -2.97  0.29   -0.54  
1 1 1 33 22 7  o 13.867  0.1269 14.906  -8.8000   0.70   -0.06  0.71   -1.29  
1 1 1 33 22 8  o 18.608  0.1337 17.913  -48.1000  0.51   -0.71  0.28   -1.03  
1 1 1 33 22 9  o 13.937  0.1527 17.365  125.600   -0.25  0.65   0.15   -0.02  
1 1 1 33 22 10 o 8.2222  0.1900 9.7994  128.200   -0.51  0.63   -0.15  0.22   
1 1 1 33 22 11 o 11.526  0.5134 9.2564  131.100   -4.63  2.90   -0.54  0.62   
1 1 1 33 22 12 o 7.9781  0.2187 7.7810  -163.5000 0.34   0.15   0.09   0.25   
1 1 1 33 22 13 o 15.021  0.1752 13.525  156.500   -1.14  -0.09  0.03   -0.40  
1 1 1 33 22 14 f 7.6022  0.2309 9.8660  -13.8000  0.57   -0.03  0.18   0.23   
1 1 1 33 22 15 o 10.573  0.2233 10.471  -43.4000  -0.29  -0.03  0.03   -0.01  
1 1 1 33 22 16 o 7.6627  0.4374 7.7137  156.700   -1.00  -0.28  -0.02  -0.07  
1 1 1 33 22 17 o 6.1940  0.6072 4.6939  1.5000    -0.63  0.48   -0.02  0.02   
1 1 1 33 22 18 o 9.9650  0.5894 9.5973  -150.6000 -2.80  -1.00  -0.31  0.05   
1 1 1 33 22 19 o 2.5157  0.7094 2.9965  176.400   -0.16  -0.33  -0.04  0.03   
1 1 1 33 22 20 o 3.8460  0.6241 ?       ?         -0.23  -0.15  -0.00  0.01   
1 1 1 33 22 21 o 5.1938  0.6538 ?       ?         0.78   -0.94  0.02   -0.07  
1 1 1 33 22 22 o 5.9393  0.6129 ?       ?         -1.52  0.61   0.01   -0.09  
1 1 1 33 22 23 o 10.752  0.4281 ?       ?         -0.90  -0.94  0.01   0.02   
1 1 1 33 23 0  o 2.0976  0.7996 3.5715  -0.1000   -0.01  0.00   0.00   0.00   
1 1 1 33 23 1  o 6.6785  0.3893 3.5352  -152.2000 -1.93  -1.02  -0.19  -0.64  
1 1 1 33 23 2  o 12.575  0.6494 12.370  167.900   -9.45  2.25   -1.26  0.49   
1 1 1 33 23 3  o 16.964  0.1641 16.618  -72.8000  -0.49  -1.95  0.71   -0.06  
1 1 1 33 23 4  o 10.201  0.1515 6.9486  -170.6000 -0.21  0.30   -0.66  -0.23  
1 1 1 33 23 5  o 12.092  0.3341 15.613  -65.0000  7.40   -2.47  -2.90  1.37   
1 1 1 33 23 6  o 22.716  0.1306 19.284  43.800    0.34   -0.05  0.05   0.08   
1 1 1 33 23 7  o 12.070  0.1386 12.493  85.800    0.69   0.54   -0.28  -0.19  
1 1 1 33 23 8  o 5.4042  0.3246 7.4371  -141.8000 -0.69  0.14   -0.03  0.02   
1 1 1 33 23 9  o 8.4433  0.1736 10.188  -42.9000  -0.37  -0.90  -1.46  -1.35  
1 1 1 33 23 10 o 13.466  0.3561 13.238  7.7000    2.46   1.26   -0.06  -0.45  
1 1 1 33 23 11 o 12.733  0.1892 11.777  53.000    1.68   -0.50  -0.50  -0.11  
1 1 1 33 23 12 o 17.987  0.1719 16.326  -19.6000  1.74   -1.17  2.02   -0.60  
1 1 1 33 23 13 o 21.373  0.1783 22.759  54.800    1.51   1.81   -0.66  -0.33  
1 1 1 33 23 14 o 9.3270  0.2192 9.6004  98.700    -0.55  -0.24  0.17   -0.06  
1 1 1 33 23 15 o 6.2616  0.2976 4.4814  23.200    0.63   0.03   -0.01  -0.14  
1 1 1 33 23 16 o 8.0560  0.2637 7.0830  -141.9000 -0.39  0.04   0.06   -0.02  
1 1 1 33 23 17 o 9.2028  0.3824 8.2112  -50.9000  -0.18  0.99   0.01   0.07   
1 1 1 33 23 18 o 3.5424  0.8759 2.3236  -58.6000  0.24   -0.23  0.01   0.01   
1 1 1 33 23 19 o 9.0377  0.3188 10.525  -53.5000  0.36   -0.80  0.02   -0.07  
1 1 1 33 23 20 o 15.189  0.3177 ?       ?         -3.39  0.38   0.35   0.08   
1 1 1 33 23 21 o 3.9754  0.7793 ?       ?         0.08   0.24   -0.00  -0.00  
1 1 1 33 23 22 o 4.2840  0.8160 ?       ?         0.18   -0.29  -0.00  -0.00  
1 1 1 33 23 23 o 4.7580  0.7730 ?       ?         0.16   0.78   -0.01  -0.00  
1 1 1 33 24 0  o 3.9370  0.6651 7.1663  -0.0000   0.01   0.00   0.00   0.00   
1 1 1 33 24 1  o 13.070  0.4982 10.033  -24.4000  2.60   -1.66  -0.23  0.28   
1 1 1 33 24 2  o 16.458  0.3098 13.691  164.600   -0.66  1.05   -0.00  0.14   
1 1 1 33 24 3  o 26.463  0.4285 27.426  101.900   -2.51  -2.60  0.29   -0.49  
1 1 1 33 24 4  f 15.776  0.1428 18.644  77.700    1.42   1.42   -5.34  -0.11  
1 1 1 33 24 5  o 6.4281  0.4161 3.9299  -61.4000  0.36   -0.17  -0.00  0.01   
1 1 1 33 24 6  o 11.814  0.1269 10.539  -27.2000  -0.38  0.43   0.06   0.07   
1 1 1 33 24 7  o 4.3882  0.2379 5.1392  101.300   0.55   0.54   0.19   -0.37  
1 1 1 33 24 8  o 9.0451  0.1588 6.1402  116.000   -0.93  0.85   -0.85  0.60   
1 1 1 33 24 9  o 5.1343  0.2581 6.5629  54.200    -0.32  1.03   0.11   0.18   
1 1 1 33 24 10 o 20.634  0.1477 19.834  178.200   -1.39  -0.84  0.93   0.95   
1 1 1 33 24 11 o 14.770  0.2602 13.595  -92.0000  -1.66  -1.40  -0.33  -0.28  
1 1 1 33 24 12 o 12.575  0.2345 11.287  -43.8000  1.21   -1.01  -0.27  0.17   
1 1 1 33 24 13 f 22.496  0.7841 21.411  -91.6000  2.47   -7.43  0.30   0.76   
1 1 1 33 24 14 o 9.2059  0.2254 8.6204  -53.2000  -0.05  0.19   0.00   -0.02  
1 1 1 33 24 15 o 13.148  0.1928 12.710  60.000    -0.16  0.91   -0.27  0.01   
1 1 1 33 24 16 o 6.7116  0.3140 6.8323  43.900    -0.40  -0.26  -0.04  0.01   
1 1 1 33 24 17 o 11.938  0.2271 13.374  -22.8000  0.76   -1.20  0.11   -0.21  
1 1 1 33 24 18 o 12.985  0.2384 13.689  122.600   0.13   1.54   -0.21  -0.09  
1 1 1 33 24 19 f 3.3534  0.6169 ?       ?         -0.01  0.28   -0.01  0.00   
1 1 1 33 24 20 o 5.8430  0.5653 ?       ?         0.64   -0.06  0.02   0.00   
1 1 1 33 24 21 o 3.5710  0.8951 ?       ?         0.26   0.18   0.01   0.00   
1 1 1 33 24 22 o 3.7591  0.8617 ?       ?         0.57   -0.26  0.00   -0.02  
1 1 1 33 24 23 o 3.5134  1.6868 ?       ?         -0.21  0.09   0.00   0.00   
1 1 1 33 25 0  f 8.2219  0.4491 4.3158  179.900   -0.11  0.00   0.00   0.00   
1 1 1 33 25 1  o 13.438  0.2205 10.529  -40.0000  -0.94  -0.01  -0.23  -0.28  
1 1 1 33 25 2  o 19.913  0.4810 18.820  -17.1000  2.75   3.94   0.58   -0.66  
1 1 1 33 25 3  o 38.262  0.3451 39.613  8.4000    3.62   -1.11  -0.70  -0.75  
1 1 1 33 25 4  o 14.708  0.1424 13.757  -86.4000  -2.66  0.12   -1.35  1.06   
1 1 1 33 25 5  o 4.5671  0.4299 4.2178  114.300   0.18   2.83   0.32   -0.01  
1 1 1 33 25 6  f 10.577  0.1306 10.615  -160.3000 -0.69  0.63   1.69   0.27   
1 1 1 33 25 7  o 18.898  0.1751 16.724  -18.4000  2.03   -1.19  0.25   0.80   
1 1 1 33 25 8  o 10.438  0.1464 11.126  -139.4000 0.31   0.51   0.29   0.24   
1 1 1 33 25 9  o 4.8080  0.2485 3.9359  77.000    0.30   -0.31  0.19   0.10   
1 1 1 33 25 10 o 11.112  0.1641 8.8066  -87.8000  -0.17  -0.69  0.11   0.38   
1 1 1 33 25 11 o 20.515  0.1506 19.683  -155.1000 -0.48  -1.73  0.42   0.35   
1 1 1 33 25 12 o 9.7402  0.3910 9.7803  82.200    -0.07  -1.41  0.09   -0.05  
1 1 1 33 25 13 o 3.2854  0.4475 3.1815  -123.6000 -0.06  -0.07  -0.01  0.01   
1 1 1 33 25 14 o 2.2730  0.5960 0.8334  37.900    0.19   -0.17  0.03   0.02   
1 1 1 33 25 15 f 7.1418  0.2718 6.8721  -54.5000  -0.41  0.20   0.05   0.03   
1 1 1 33 25 16 o 10.449  0.2202 11.244  36.100    0.11   1.54   0.02   -0.28  
1 1 1 33 25 17 f 4.0698  0.5679 3.5021  8.6000    -0.29  0.22   -0.02  0.00   
1 1 1 33 25 18 f 7.8184  0.3253 7.9125  110.200   0.06   -0.30  0.00   -0.01  
1 1 1 33 25 19 o 7.3135  0.5719 ?       ?         0.57   -0.28  -0.01  -0.01  
1 1 1 33 25 20 o 5.7712  0.8722 ?       ?         -0.10  1.03   0.00   -0.03  
1 1 1 33 25 21 o 4.5237  2.0331 ?       ?         0.16   0.22   -0.00  -0.00  
1 1 1 33 25 22 o 3.2477  0.8783 ?       ?         0.24   -0.06  0.00   -0.00  
1 1 1 33 26 0  o 8.4853  0.4206 12.461  179.900   0.38   0.00   0.00   0.00   
1 1 1 33 26 1  o 19.511  0.2058 18.781  30.500    1.51   -1.00  0.66   0.71   
1 1 1 33 26 2  o 13.616  0.2289 13.829  -40.4000  1.34   -0.83  -1.42  -0.14  
1 1 1 33 26 3  o 10.589  0.4725 9.3010  -22.9000  2.25   -3.59  0.63   0.69   
1 1 1 33 26 4  o 12.499  0.3886 12.495  -66.8000  0.64   -1.30  0.03   0.09   
1 1 1 33 26 5  o 7.2661  0.5568 7.7253  -149.1000 -0.34  2.36   0.14   0.02   
1 1 1 33 26 6  o 17.086  0.1377 16.296  -52.8000  0.34   -0.02  -0.00  0.06   
1 1 1 33 26 7  o 10.742  0.1547 9.4174  -120.4000 0.17   0.50   0.06   -0.01  
1 1 1 33 26 8  o 12.976  0.4949 11.583  -84.7000  -0.27  -6.99  1.26   0.28   
1 1 1 33 26 9  o 23.157  0.1552 22.841  -35.1000  -0.37  -0.74  -0.20  -0.01  
1 1 1 33 26 10 o 5.4216  0.4861 4.3022  -174.1000 -0.72  1.68   0.16   0.09   
1 1 1 33 26 11 o 8.5543  0.2068 7.4352  -101.0000 -0.34  -1.36  0.53   0.17   
1 1 1 33 26 12 o 11.651  0.1831 11.196  -52.6000  0.46   -0.56  -0.03  -0.30  
1 1 1 33 26 13 o 4.8995  0.3274 4.6196  -80.2000  0.44   0.57   0.06   -0.05  
1 1 1 33 26 14 o 18.144  0.1733 18.469  -136.6000 0.29   1.67   -0.16  -0.27  
1 1 1 33 26 15 o 3.7071  0.4238 2.8478  93.400    0.20   0.05   0.03   -0.00  
1 1 1 33 26 16 o 3.9910  0.6057 3.4477  114.600   -0.07  0.14   -0.00  0.00   
1 1 1 33 26 17 o 8.0796  0.3176 8.4350  10.400    0.01   -0.34  -0.00  -0.01  
1 1 1 33 26 18 o 5.3358  0.4515 5.8888  53.800    0.20   0.47   -0.00  0.04   
1 1 1 33 26 19 o 8.4070  0.4349 ?       ?         1.51   0.48   0.01   0.11   
1 1 1 33 26 20 o 4.2314  0.7104 ?       ?         0.10   0.04   0.00   0.00   
1 1 1 33 26 21 o 5.0163  0.6758 ?       ?         -0.20  0.07   0.00   -0.00  
1 1 1 33 26 22 o 6.5814  0.5802 ?       ?         2.41   -0.30  0.06   0.03   
1 1 1 33 27 0  o 13.103  0.3239 12.108  0.0000    0.07   0.00   0.00   0.00   
1 1 1 33 27 1  o 13.238  0.2414 8.5075  -65.3000  0.50   0.01   -0.05  0.14   
1 1 1 33 27 2  o 12.048  0.3141 11.887  -102.2000 3.19   -0.79  -1.16  -0.13  
1 1 1 33 27 3  o 14.175  0.5105 13.351  -80.6000  -2.21  -8.57  1.67   -1.83  
1 1 1 33 27 4  f 12.665  0.1958 7.1375  -27.3000  0.07   0.04   0.00   -0.00  
1 1 1 33 27 5  o 18.020  0.3057 16.623  177.400   1.77   2.68   0.66   -0.36  
1 1 1 33 27 6  o 6.0350  0.1616 5.2272  87.600    1.02   0.41   0.18   -1.54  
1 1 1 33 27 7  f 17.885  0.1264 16.963  -67.8000  1.43   -0.83  -0.68  -0.25  
1 1 1 33 27 8  o 15.551  0.2886 16.827  -135.3000 -0.22  -1.39  0.08   -0.10  
1 1 1 33 27 9  o 11.990  0.3194 11.581  116.600   -3.26  -1.73  -0.11  -0.79  
1 1 1 33 27 10 o 23.287  0.2784 23.588  -137.6000 -1.66  -1.33  0.19   -0.22  
1 1 1 33 27 11 o 9.0623  0.2482 8.1826  -124.6000 -1.97  -0.72  -0.15  -0.47  
1 1 1 33 27 12 o 7.4096  0.2342 7.3950  146.000   -0.24  0.15   0.06   -0.05  
1 1 1 33 27 13 o 4.1216  0.3939 4.5093  173.300   -0.06  -0.22  0.01   0.03   
1 1 1 33 27 14 o 6.9872  0.3467 6.9765  128.500   -0.47  1.11   0.12   0.01   
1 1 1 33 27 15 o 8.2935  0.2603 7.5691  -152.9000 -1.42  0.14   -0.10  -0.26  
1 1 1 33 27 16 f 3.0581  0.5685 2.1851  -44.7000  -0.13  0.32   -0.02  -0.04  
1 1 1 33 27 17 o 3.6469  0.5939 3.8671  166.500   -0.09  -0.63  -0.09  0.01   
1 1 1 33 27 18 o 14.527  0.2187 13.716  76.000    0.72   0.97   -0.05  0.09   
1 1 1 33 27 19 o 3.5209  0.9030 ?       ?         -0.03  0.14   0.00   -0.00  
1 1 1 33 27 20 o 6.2834  0.5599 ?       ?         1.30   -0.45  0.04   -0.00  
1 1 1 33 27 21 o 2.1211  1.0581 ?       ?         -0.15  -0.18  -0.00  0.00   
1 1 1 33 27 22 o 2.9141  0.9586 ?       ?         0.78   0.07   0.02   -0.00  
1 1 1 33 28 0  o 6.6106  0.4784 7.4713  -0.1000   -0.23  0.00   0.00   0.00   
1 1 1 33 28 1  o 9.9805  0.2909 10.935  148.900   -0.39  1.99   0.79   -0.32  
1 1 1 33 28 2  o 12.487  0.2326 10.161  117.900   -0.40  -0.47  0.09   -0.05  
1 1 1 33 28 3  o 7.9149  0.3085 7.9323  176.100   0.00   -0.12  0.00   -0.01  
1 1 1 33 28 4  o 11.461  0.3536 15.869  -41.1000  -3.05  -4.34  -0.41  -2.20  
1 1 1 33 28 5  o 11.512  0.7630 9.9650  24.300    -1.72  -3.95  0.30   -0.19  
1 1 1 33 28 6  o 14.100  0.1175 15.053  169.800   0.61   0.41   0.43   0.16   
1 1 1 33 28 7  o 13.407  0.1611 12.853  -145.2000 -0.38  -2.77  1.18   0.62   
1 1 1 33 28 8  o 8.3435  0.1594 8.6690  -95.7000  -0.76  -0.92  -0.64  -0.50  
1 1 1 33 28 9  f 8.3222  0.1761 6.8346  88.200    1.50   1.72   1.01   -0.90  
1 1 1 33 28 10 o 7.4761  0.2169 7.4826  -152.8000 -0.18  -0.18  0.07   0.02   
1 1 1 33 28 11 o 9.4168  0.1885 7.9954  172.200   -0.44  -0.50  0.19   0.05   
1 1 1 33 28 12 o 4.7545  0.3334 6.4492  122.600   -1.01  -0.22  -0.06  -0.16  
1 1 1 33 28 13 o 4.5336  0.3541 2.7488  -166.3000 0.27   -0.01  0.07   -0.01  
1 1 1 33 28 14 o 9.6528  0.2192 10.120  83.500    -0.52  0.76   0.13   -0.08  
1 1 1 33 28 15 o 6.7715  0.2948 6.3879  -19.6000  0.76   -0.42  -0.04  -0.20  
1 1 1 33 28 16 o 1.9050  0.7515 2.4318  62.700    0.22   0.21   -0.04  0.03   
1 1 1 33 28 17 o 2.5378  0.7126 1.1664  -111.8000 -0.12  -0.17  -0.01  0.01   
1 1 1 33 28 18 o 5.9065  0.5147 ?       ?         0.12   0.48   -0.01  -0.01  
1 1 1 33 28 19 o 4.0381  0.7297 ?       ?         0.30   0.32   0.00   0.01   
1 1 1 33 28 20 o 2.4862  1.2070 ?       ?         0.18   0.16   -0.00  0.00   
1 1 1 33 28 21 o 4.7652  0.7095 ?       ?         0.08   0.30   -0.00  -0.00  
1 1 1 33 28 22 o 3.7865  1.0366 ?       ?         0.60   -0.28  0.01   -0.00  
1 1 1 33 29 0  o 7.5565  0.4841 10.058  -0.1000   0.14   0.00   0.00   0.00   
1 1 1 33 29 1  o 11.931  0.3205 12.130  -56.0000  -0.09  -2.56  0.45   -0.32  
1 1 1 33 29 2  o 4.4014  0.5128 6.3881  84.900    -0.20  -0.48  0.03   -0.01  
1 1 1 33 29 3  o 7.8590  0.2925 8.8954  145.400   -0.59  0.32   0.13   0.20   
1 1 1 33 29 4  o 9.6423  0.4559 11.943  -126.0000 -0.39  -1.94  0.15   -0.22  
1 1 1 33 29 5  o 7.1900  0.8067 5.8944  -136.9000 -0.05  -3.57  0.30   0.07   
1 1 1 33 29 6  o 15.227  0.1265 17.612  34.200    1.46   -0.66  0.82   0.74   
1 1 1 33 29 7  o 4.7769  0.1937 4.1956  32.700    0.14   0.16   0.12   0.01   
1 1 1 33 29 8  o 12.136  0.1597 11.732  155.000   -2.27  -2.33  1.44   -1.28  
1 1 1 33 29 9  o 11.641  0.1641 10.747  -175.7000 0.19   -0.94  0.06   0.16   
1 1 1 33 29 10 o 16.606  0.3133 15.753  32.900    1.15   2.07   -0.02  -0.29  
1 1 1 33 29 11 o 8.7953  0.3704 9.2804  -87.7000  1.89   0.24   -0.23  0.08   
1 1 1 33 29 12 o 3.8406  0.4087 3.8220  83.200    -0.37  0.87   0.16   -0.02  
1 1 1 33 29 13 o 10.075  0.2071 8.6661  -25.0000  0.93   -0.41  0.25   -0.35  
1 1 1 33 29 14 o 1.7902  0.6531 2.1006  49.900    0.15   -0.04  0.03   -0.01  
1 1 1 33 29 15 f 2.7454  0.5538 2.3500  -33.4000  0.04   -0.06  -0.00  -0.00  
1 1 1 33 29 16 f 15.674  0.2436 14.221  174.700   -0.57  -0.75  0.03   0.03   
1 1 1 33 29 17 o 8.4458  0.3337 8.3251  -157.9000 -0.30  -1.03  0.01   0.09   
1 1 1 33 29 18 o 4.8918  0.5911 ?       ?         -0.06  0.15   -0.00  -0.00  
1 1 1 33 29 19 f 4.9539  1.0424 ?       ?         -0.05  -0.43  0.00   0.01   
1 1 1 33 29 20 o 5.7712  0.6056 ?       ?         1.38   0.30   0.04   0.04   
1 1 1 33 29 21 o 2.3104  1.0489 ?       ?         0.46   0.44   0.00   0.01   
1 1 1 33 30 0  o 3.1305  0.8713 3.3483  179.900   -0.10  0.00   0.00   0.00   
1 1 1 33 30 1  o 6.9957  0.3658 6.2815  -159.2000 0.64   -0.64  -0.12  0.12   
1 1 1 33 30 2  o 15.492  0.3578 13.674  1.0000    1.19   0.23   -0.04  -0.08  
1 1 1 33 30 3  o 3.7055  0.8278 7.0078  -18.9000  -0.06  0.58   0.03   -0.01  
1 1 1 33 30 4  o 5.4509  0.4164 5.0255  -53.4000  0.04   -0.19  -0.01  -0.04  
1 1 1 33 30 5  o 4.2993  1.0752 4.5008  14.800    0.84   0.49   -0.04  -0.03  
1 1 1 33 30 6  o 16.556  0.1436 15.991  -121.7000 0.36   -0.12  -0.03  -0.03  
1 1 1 33 30 7  o 10.845  0.1262 9.6249  -30.1000  -0.15  -0.41  -0.06  -0.10  
1 1 1 33 30 8  o 7.7629  0.1643 8.4476  110.100   0.54   -0.19  -0.24  -0.15  
1 1 1 33 30 9  o 5.5860  0.2291 4.7425  64.900    1.20   -0.51  -0.74  -0.05  
1 1 1 33 30 10 o 13.119  0.1580 12.660  138.300   -0.87  0.74   -0.34  -0.21  
1 1 1 33 30 11 o 13.012  0.1632 13.046  10.400    0.69   2.07   0.42   1.14   
1 1 1 33 30 12 o 4.7797  0.3072 4.3099  125.800   0.29   -0.02  0.08   -0.01  
1 1 1 33 30 13 o 8.6332  0.3409 7.8432  100.400   -1.81  1.23   -0.35  0.08   
1 1 1 33 30 14 o 3.6482  0.4314 4.0456  3.4000    0.15   -0.16  -0.01  -0.02  
1 1 1 33 30 15 o 7.3591  0.3104 7.1905  69.400    -0.11  0.08   0.00   0.00   
1 1 1 33 30 16 o 5.1349  0.4410 5.4373  157.600   0.23   0.54   -0.05  0.01   
1 1 1 33 30 17 o 10.376  0.2580 ?       ?         0.46   0.83   0.03   0.06   
1 1 1 33 30 18 o 4.5710  0.6255 ?       ?         -0.16  -0.33  -0.01  0.01   
1 1 1 33 30 19 o 6.3211  0.5610 ?       ?         0.74   -0.08  0.01   -0.01  
1 1 1 33 30 20 o 3.8029  0.7684 ?       ?         -0.69  -0.25  0.01   0.01   
1 1 1 33 30 21 o 4.6270  0.7516 ?       ?         0.13   -0.95  -0.01  0.01   
1 1 1 33 31 0  o 7.4297  0.4557 6.7280  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 33 31 1  o 9.3225  0.2689 9.2487  -163.9000 -0.18  -0.13  -0.01  -0.00  
1 1 1 33 31 2  o 10.002  0.2931 12.880  86.200    -1.08  0.23   -0.19  -0.23  
1 1 1 33 31 3  o 7.2285  0.3020 8.3100  69.300    -0.35  0.87   0.01   0.13   
1 1 1 33 31 4  o 3.0431  0.7649 3.9824  -6.0000   -0.58  0.28   -0.07  0.02   
1 1 1 33 31 5  o 6.9562  0.6196 8.3250  137.200   -1.12  1.27   0.09   0.12   
1 1 1 33 31 6  o 2.5878  0.3446 2.0637  -135.8000 -0.02  0.15   -0.09  0.03   
1 1 1 33 31 7  o 5.6085  0.1851 4.6324  -175.9000 -0.20  0.27   0.18   -0.29  
1 1 1 33 31 8  o 11.412  0.2147 9.2139  -76.3000  -0.97  -2.26  0.57   -0.13  
1 1 1 33 31 9  o 11.880  0.1837 12.678  2.7000    1.31   0.36   0.03   -0.29  
1 1 1 33 31 10 o 3.9996  0.3173 3.4236  38.800    0.20   -0.03  0.05   0.02   
1 1 1 33 31 11 o 10.378  0.1801 10.363  -150.7000 -0.78  -1.18  -0.46  -0.14  
1 1 1 33 31 12 o 10.635  0.4032 9.9044  5.2000    2.82   0.12   -0.22  -0.18  
1 1 1 33 31 13 o 2.7158  0.5014 0.8015  -74.1000  0.19   -0.02  0.00   0.01   
1 1 1 33 31 14 o 5.2131  0.3527 5.1115  20.500    0.33   -0.50  -0.09  -0.00  
1 1 1 33 31 15 o 13.025  0.3276 13.788  10.900    1.92   0.40   -0.05  0.17   
1 1 1 33 31 16 f 1.5205  0.8709 1.9962  10.500    0.11   -0.09  0.01   -0.00  
1 1 1 33 31 17 o 2.3171  1.1178 ?       ?         0.13   0.24   0.01   0.01   
1 1 1 33 31 18 o 2.4932  0.8632 ?       ?         -0.10  -0.18  -0.00  0.00   
1 1 1 33 31 19 o 5.9629  0.5385 ?       ?         0.45   -0.82  -0.02  -0.00  
1 1 1 33 31 20 o 2.7093  0.9343 ?       ?         0.05   -0.21  -0.00  -0.00  
1 1 1 33 31 21 o 6.9689  0.8464 ?       ?         0.95   -0.96  0.01   -0.00  
1 1 1 33 32 0  o 11.127  0.3357 11.386  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 33 32 1  o 11.154  0.2665 12.213  -11.0000  2.51   -0.11  -0.34  -1.63  
1 1 1 33 32 2  o 18.425  0.2175 15.754  114.500   0.34   1.17   -0.39  -0.05  
1 1 1 33 32 3  o 8.7820  0.2566 10.970  50.700    -0.68  -0.25  0.00   -0.10  
1 1 1 33 32 4  o 8.6447  0.3163 10.010  103.100   -0.31  0.79   -0.40  -0.18  
1 1 1 33 32 5  o 12.673  0.2493 12.668  -164.8000 0.25   -0.06  0.03   -0.00  
1 1 1 33 32 6  o 4.2410  0.5532 2.8462  121.400   -0.69  -0.17  -0.03  -0.03  
1 1 1 33 32 7  o 4.7733  0.2342 3.2365  29.500    -0.37  0.78   0.00   0.23   
1 1 1 33 32 8  o 6.6523  0.1727 5.0127  135.000   0.67   0.87   0.19   -0.16  
1 1 1 33 32 9  o 4.2306  0.7549 3.5698  -138.2000 -0.29  -0.78  0.02   -0.01  
1 1 1 33 32 10 o 11.267  0.1558 10.711  -71.2000  0.97   -0.36  -0.05  -0.42  
1 1 1 33 32 11 o 6.0715  0.2517 6.5632  -22.9000  0.47   -0.60  0.21   -0.23  
1 1 1 33 32 12 o 4.1422  0.3614 4.1147  -144.1000 -0.04  -0.36  -0.02  -0.04  
1 1 1 33 32 13 o 5.3526  0.3286 5.1352  -127.3000 -0.97  -0.30  0.18   -0.17  
1 1 1 33 32 14 o 3.6437  0.6289 2.4037  149.500   0.49   0.34   0.02   -0.02  
1 1 1 33 32 15 o 0.5962  0.8704 0.9804  121.100   -0.21  0.04   0.02   0.00   
1 1 1 33 32 16 o 6.2170  0.4200 6.0130  -132.5000 -1.93  -0.21  -0.03  0.23   
1 1 1 33 32 17 o 2.0127  1.0123 ?       ?         0.20   0.03   0.00   -0.00  
1 1 1 33 32 18 o 4.0399  0.8371 ?       ?         -0.50  0.24   0.01   0.00   
1 1 1 33 32 19 o 3.2033  0.9137 ?       ?         -0.14  -0.26  0.00   0.00   
1 1 1 33 32 20 o 5.1136  0.7031 ?       ?         1.34   -0.70  -0.01  -0.02  
1 1 1 33 32 21 o 4.2136  0.8855 ?       ?         0.43   -0.17  0.00   0.00   
1 1 1 33 33 0  o 5.6921  0.8213 4.2248  0.0000    -0.17  0.00   0.00   0.00   
1 1 1 33 33 1  o 2.3875  0.9565 1.8251  90.000    -0.00  -0.04  0.00   0.00   
1 1 1 33 33 2  o 12.582  0.3140 13.838  -0.0000   0.60   0.00   0.00   0.00   
1 1 1 33 33 3  o 8.4617  0.4696 10.172  -90.0000  0.00   0.11   0.00   0.00   
1 1 1 33 33 4  o 3.6056  0.6684 6.1511  180.000   -0.20  0.00   0.00   0.00   
1 1 1 33 33 5  o 13.565  0.3309 11.763  -90.0000  0.00   0.14   0.00   0.00   
1 1 1 33 33 6  o 5.9161  0.6030 1.6500  180.000   -0.33  0.00   0.00   0.00   
1 1 1 33 33 7  o 11.036  0.2046 7.5488  90.000    0.00   0.42   0.00   0.00   
1 1 1 33 33 8  o 4.4272  0.2859 3.9167  0.0000    0.19   0.00   0.00   0.00   
1 1 1 33 33 9  o 5.6921  0.3393 6.1839  -90.0000  -0.00  -0.39  0.00   0.00   
1 1 1 33 33 10 o 5.1284  0.3802 2.2734  180.000   0.12   0.00   0.00   0.00   
1 1 1 33 33 11 o 2.4495  0.6808 0.8384  -90.0000  -0.00  -0.06  0.00   0.00   
1 1 1 33 33 12 o 9.5864  0.2885 9.0069  0.0000    0.96   0.00   0.00   0.00   
1 1 1 33 33 13 o 6.5498  0.3681 6.3508  -90.0000  0.00   0.17   0.00   0.00   
1 1 1 33 33 14 o 2.7568  0.7905 1.8449  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 33 33 15 o 6.3008  0.5054 6.8610  -90.0000  -0.00  -0.77  0.00   0.00   
1 1 1 33 33 16 o 1.8974  1.1743 ?       ?         -0.04  0.00   0.00   0.00   
1 1 1 33 33 17 o 2.6077  1.1766 ?       ?         0.00   0.15   0.00   0.00   
1 1 1 33 33 18 o 0.0000  3.0822 ?       ?         -0.10  0.00   0.00   0.00   
1 1 1 33 33 19 o 1.6733  1.3241 ?       ?         -0.00  -0.02  0.00   0.00   
1 1 1 33 33 20 f 9.6073  0.6744 ?       ?         -2.33  0.00   0.00   0.00   
1 1 1 34 0  0  o 85.985  0.7082 86.016  -180.0000 -0.91  0.00   0.00   0.00   
1 1 1 34 0  1  o 19.217  0.1600 19.572  -45.1000  -0.01  0.01   0.00   0.00   
1 1 1 34 0  2  o 6.0249  0.2698 1.2251  -89.4000  -0.00  -0.01  0.00   0.00   
1 1 1 34 0  3  f 6.1400  0.2427 4.5525  -135.2000 -0.07  -0.07  0.00   0.00   
1 1 1 34 0  4  o 43.647  0.2834 46.138  -0.0000   -0.08  0.00   0.00   0.00   
1 1 1 34 0  5  o 8.7178  0.2072 14.035  135.100   -0.11  0.11   0.00   0.00   
1 1 1 34 0  6  o 16.565  0.1762 20.160  89.900    0.00   0.10   0.00   0.00   
1 1 1 34 0  7  o 29.065  0.2219 24.559  45.000    0.10   0.10   0.00   0.00   
1 1 1 34 0  8  o 4.8580  0.3541 7.1839  -0.1000   0.09   0.00   0.00   0.00   
1 1 1 34 0  9  o 12.353  0.2382 3.6068  134.900   0.22   -0.22  0.00   0.00   
1 1 1 34 0  10 o 9.8234  0.2141 12.365  -90.0000  -0.00  -0.03  0.00   0.00   
1 1 1 34 0  11 o 14.460  0.2113 12.273  -134.9000 -0.08  -0.08  0.00   0.00   
1 1 1 34 0  12 o 10.397  0.2489 7.5697  -180.0000 0.17   0.00   0.00   0.00   
1 1 1 34 0  13 o 5.2536  0.3971 1.6638  134.700   -0.02  0.02   0.00   0.00   
1 1 1 34 0  14 o 5.9666  0.3776 5.0299  -90.0000  0.00   0.07   0.00   0.00   
1 1 1 34 0  15 o 8.8148  0.3121 9.6875  45.000    -0.10  -0.10  0.00   0.00   
1 1 1 34 0  16 o 3.8859  0.5769 8.2482  -180.0000 -0.05  0.00   0.00   0.00   
1 1 1 34 0  17 o 0.0000  2.2583 0.4780  -45.0000  -0.01  0.01   0.00   0.00   
1 1 1 34 0  18 o 2.4900  0.8235 4.4001  90.000    0.00   0.02   0.00   0.00   
1 1 1 34 0  19 o 15.966  0.2861 13.681  45.000    0.87   0.87   0.00   0.00   
1 1 1 34 0  20 o 8.9777  0.3944 10.806  -180.0000 -0.54  0.00   0.00   0.00   
1 1 1 34 0  21 o 4.6797  0.6014 3.4118  135.000   -0.02  0.02   0.00   0.00   
1 1 1 34 0  22 o 0.0000  2.6268 ?       ?         0.00   0.01   0.00   0.00   
1 1 1 34 0  23 o 5.5946  0.7982 ?       ?         -0.07  -0.07  0.00   0.00   
1 1 1 34 0  24 o 5.1284  1.4203 ?       ?         -0.24  0.00   0.00   0.00   
1 1 1 34 1  0  o 25.379  0.2265 19.433  -0.2000   0.29   0.00   0.00   0.00   
1 1 1 34 1  1  o 18.555  0.3444 21.556  81.300    -0.21  1.29   0.13   0.02   
1 1 1 34 1  2  o 16.077  0.1490 13.692  -148.0000 -0.22  -0.02  -0.12  0.10   
1 1 1 34 1  3  o 13.954  0.1203 12.299  -123.4000 0.01   0.03   0.01   0.01   
1 1 1 34 1  4  o 26.272  0.2934 22.588  176.600   -1.82  -0.38  -0.22  -0.16  
1 1 1 34 1  5  o 10.703  0.1490 13.971  148.200   -0.24  0.03   -0.23  -0.35  
1 1 1 34 1  6  o 13.432  0.3294 11.522  -65.8000  1.69   -2.47  0.32   0.57   
1 1 1 34 1  7  o 16.301  0.4765 12.853  48.200    1.71   6.49   1.12   -0.50  
1 1 1 34 1  8  o 5.5456  0.2154 2.5678  -166.7000 0.30   0.86   0.88   -2.03  
1 1 1 34 1  9  o 10.030  0.1642 8.9864  -128.4000 -0.64  -1.10  0.12   -0.56  
1 1 1 34 1  10 o 11.577  0.1725 10.441  117.900   0.03   1.11   0.28   -0.11  
1 1 1 34 1  11 o 7.6293  0.2389 6.6885  174.400   0.25   -1.02  0.14   0.13   
1 1 1 34 1  12 o 23.271  0.2810 22.076  66.500    0.41   1.00   0.10   -0.03  
1 1 1 34 1  13 o 5.8647  0.2932 5.6227  -52.5000  0.31   -1.85  0.54   0.02   
1 1 1 34 1  14 o 5.3751  0.3444 5.3096  -148.5000 -1.03  -0.91  -0.13  -0.25  
1 1 1 34 1  15 o 22.766  0.1594 24.031  122.200   0.36   0.69   -0.22  -0.02  
1 1 1 34 1  16 o 3.7843  0.4319 2.6510  -55.0000  -0.01  -0.20  -0.02  -0.07  
1 1 1 34 1  17 o 10.405  0.2154 10.244  176.400   -0.58  -0.21  0.23   -0.11  
1 1 1 34 1  18 o 12.219  0.2000 11.246  -52.0000  -0.04  0.35   -0.05  -0.04  
1 1 1 34 1  19 o 5.6858  0.7552 4.5997  -41.5000  0.08   -1.46  0.09   -0.03  
1 1 1 34 1  20 o 4.9649  0.4055 3.5673  62.700    0.23   0.35   -0.02  -0.02  
1 1 1 34 1  21 f 3.0663  0.6156 6.1642  75.700    0.04   0.09   -0.00  -0.00  
1 1 1 34 1  22 o 2.7003  1.2677 ?       ?         -0.17  -0.02  -0.00  0.00   
1 1 1 34 1  23 o 6.2954  1.1737 ?       ?         0.72   1.63   0.08   0.01   
1 1 1 34 1  24 o 6.1741  0.8244 ?       ?         0.42   0.66   -0.02  0.01   
1 1 1 34 2  0  o 37.606  0.2588 34.117  180.000   0.09   0.00   0.00   0.00   
1 1 1 34 2  1  o 7.8010  0.3140 8.3452  44.100    -0.79  2.76   0.59   0.44   
1 1 1 34 2  2  o 26.029  0.5670 23.421  -19.4000  9.25   -0.74  -1.78  0.09   
1 1 1 34 2  3  o 21.878  0.3806 25.869  -89.4000  -1.60  -4.92  0.82   -0.77  
1 1 1 34 2  4  o 13.029  0.3185 9.6271  -8.7000   2.99   3.00   0.08   -0.98  
1 1 1 34 2  5  o 22.173  0.1551 20.522  -94.9000  -1.62  -0.05  -0.74  -0.47  
1 1 1 34 2  6  o 13.629  0.1573 13.642  166.600   -0.38  -0.10  0.88   -0.92  
1 1 1 34 2  7  o 13.450  0.4890 9.9945  -64.8000  6.44   0.38   -1.22  -0.25  
1 1 1 34 2  8  o 18.555  0.1449 18.296  148.100   -0.41  0.50   0.09   0.11   
1 1 1 34 2  9  o 11.690  0.1474 12.514  -22.0000  0.04   -0.17  0.05   -0.21  
1 1 1 34 2  10 o 16.665  0.2517 22.842  -39.7000  0.49   -0.54  0.02   0.05   
1 1 1 34 2  11 o 14.585  0.1508 16.481  -126.2000 0.78   -0.47  -0.35  0.15   
1 1 1 34 2  12 o 11.199  0.1673 14.163  114.700   0.20   0.08   0.13   -0.10  
1 1 1 34 2  13 o 12.637  0.2434 10.737  -15.6000  0.71   0.77   -0.04  -0.12  
1 1 1 34 2  14 o 8.4990  0.3910 6.2594  -161.7000 0.29   -1.03  0.08   0.02   
1 1 1 34 2  15 o 16.042  0.3299 15.137  49.400    3.42   2.47   -0.97  -0.80  
1 1 1 34 2  16 o 11.684  0.2525 13.479  -7.4000   2.71   -1.03  -0.25  1.00   
1 1 1 34 2  17 o 10.350  0.2457 10.073  -19.4000  0.78   -0.45  -0.14  0.03   
1 1 1 34 2  18 o 7.4911  0.2676 5.9766  8.2000    0.02   -0.45  -0.14  -0.12  
1 1 1 34 2  19 o 14.589  0.1943 13.106  -145.7000 0.19   0.59   -0.08  0.06   
1 1 1 34 2  20 o 4.5167  0.6125 6.1593  -147.9000 -0.07  -0.66  0.03   0.02   
1 1 1 34 2  21 o 6.3708  0.3579 7.3858  117.500   0.16   0.02   0.00   0.01   
1 1 1 34 2  22 o 9.0318  0.4284 ?       ?         -0.02  1.24   -0.00  -0.09  
1 1 1 34 2  23 o 4.5591  0.9981 ?       ?         0.62   -0.42  -0.03  -0.00  
1 1 1 34 2  24 o 3.3398  1.1367 ?       ?         0.14   -0.47  -0.02  -0.01  
1 1 1 34 3  0  o 20.229  0.1861 16.451  0.1000    0.21   0.00   0.00   0.00   
1 1 1 34 3  1  o 38.851  0.5011 40.957  60.500    4.28   -0.35  -0.55  0.23   
1 1 1 34 3  2  o 24.418  0.5101 23.084  27.100    7.65   -5.86  -0.34  2.13   
1 1 1 34 3  3  o 45.513  0.8051 42.549  29.500    -3.05  20.30  5.07   2.63   
1 1 1 34 3  4  o 41.330  0.1872 37.937  -91.0000  -0.63  -0.73  -1.27  0.10   
1 1 1 34 3  5  o 18.248  0.1249 19.073  -52.9000  0.20   -0.14  0.27   0.07   
1 1 1 34 3  6  o 20.757  0.1753 23.614  -30.4000  -0.75  -0.34  -0.01  -0.39  
1 1 1 34 3  7  o 47.381  1.0551 41.990  130.700   -2.74  18.56  3.06   0.31   
1 1 1 34 3  8  o 5.9497  0.2320 6.3390  -128.6000 0.76   -0.61  -0.07  0.18   
1 1 1 34 3  9  o 13.137  0.1486 12.114  150.900   -1.14  -0.63  -0.57  -0.39  
1 1 1 34 3  10 o 26.863  0.7303 27.436  1.4000    8.82   1.41   -0.85  -0.43  
1 1 1 34 3  11 o 18.400  0.1409 17.749  154.400   -0.82  -0.21  0.71   1.68   
1 1 1 34 3  12 o 8.1221  0.1987 7.5157  -11.6000  -0.46  -0.48  0.07   -0.16  
1 1 1 34 3  13 o 18.307  0.1604 18.312  -31.9000  0.82   0.46   0.17   -0.27  
1 1 1 34 3  14 o 9.8841  0.1888 9.3288  22.600    0.01   -0.01  -0.00  0.00   
1 1 1 34 3  15 o 17.574  0.2670 18.095  -13.1000  0.40   -2.31  0.53   -0.28  
1 1 1 34 3  16 o 10.514  0.2084 9.9194  86.700    -0.76  0.08   -0.11  -0.08  
1 1 1 34 3  17 o 10.550  0.3271 11.212  -9.8000   0.09   0.89   0.05   -0.05  
1 1 1 34 3  18 o 7.1596  0.2935 6.7666  114.800   0.00   0.02   -0.00  0.00   
1 1 1 34 3  19 o 3.3347  0.5216 2.0636  149.600   0.03   0.19   0.01   0.02   
1 1 1 34 3  20 o 5.4184  0.3613 3.7565  -10.6000  0.58   0.07   0.13   0.13   
1 1 1 34 3  21 o 4.6484  0.7004 4.2893  -49.1000  0.05   0.24   0.00   0.00   
1 1 1 34 3  22 f 12.837  0.2474 ?       ?         1.72   -1.93  -0.06  -0.52  
1 1 1 34 3  23 o 3.5343  0.8668 ?       ?         0.07   0.10   -0.00  0.00   
1 1 1 34 3  24 o 3.6997  1.1149 ?       ?         0.17   -0.23  -0.00  -0.00  
1 1 1 34 4  0  f 3.1464  0.3928 4.1465  179.700   0.03   0.00   0.00   0.00   
1 1 1 34 4  1  o 42.646  0.4618 45.130  -167.7000 -4.61  -4.68  -0.49  -1.69  
1 1 1 34 4  2  o 12.424  0.4177 13.804  45.300    10.12  0.15   -3.52  0.13   
1 1 1 34 4  3  o 59.364  0.2782 57.228  -87.4000  -0.97  -2.91  0.04   -1.22  
1 1 1 34 4  4  o 7.4542  0.1722 6.9856  -121.9000 -0.83  1.70   0.44   0.71   
1 1 1 34 4  5  o 9.1237  0.2699 5.0782  150.000   -2.21  2.04   -0.21  1.00   
1 1 1 34 4  6  o 21.962  0.1334 21.329  -137.6000 0.46   -0.39  -0.27  0.20   
1 1 1 34 4  7  o 30.376  0.1613 34.383  45.900    0.59   0.43   -0.73  0.18   
1 1 1 34 4  8  o 22.793  0.7444 21.568  115.600   -7.91  9.82   0.65   1.92   
1 1 1 34 4  9  o 16.458  0.2593 17.448  58.500    0.48   3.26   0.89   -0.53  
1 1 1 34 4  10 o 10.348  0.1591 8.2887  -165.7000 -0.94  -0.27  -0.37  -0.08  
1 1 1 34 4  11 o 12.418  0.5506 12.205  155.600   -0.15  3.80   0.37   0.08   
1 1 1 34 4  12 o 19.191  0.1614 20.445  75.600    0.13   1.50   0.08   -1.38  
1 1 1 34 4  13 o 11.126  0.1684 12.725  47.700    -0.05  -0.35  -0.10  0.31   
1 1 1 34 4  14 o 10.655  0.2022 13.533  93.900    0.35   0.11   -0.03  0.00   
1 1 1 34 4  15 o 13.949  0.2383 13.278  69.100    -0.19  2.52   0.73   -0.43  
1 1 1 34 4  16 o 16.634  0.1638 16.242  76.700    -0.15  0.50   -0.19  -0.00  
1 1 1 34 4  17 o 3.8088  0.4451 3.5998  -139.6000 -0.18  -0.02  -0.01  0.02   
1 1 1 34 4  18 o 10.089  0.3582 9.5134  10.600    3.57   0.39   -0.80  0.36   
1 1 1 34 4  19 o 4.1035  0.7150 3.7207  -41.7000  0.25   -0.15  -0.01  0.00   
1 1 1 34 4  20 o 6.9794  0.3282 6.4066  41.700    1.31   -0.81  0.56   0.15   
1 1 1 34 4  21 o 1.5156  0.9265 3.2692  -106.9000 -0.10  -0.06  0.01   -0.00  
1 1 1 34 4  22 o 8.9947  0.3185 ?       ?         -0.21  -0.51  -0.01  0.03   
1 1 1 34 4  23 o 2.8472  1.4618 ?       ?         0.20   -0.24  -0.01  0.00   
1 1 1 34 4  24 o 7.3272  0.7018 ?       ?         0.69   -0.73  -0.02  0.00   
1 1 1 34 5  0  o 14.772  0.2267 11.266  0.2000    -0.11  0.00   0.00   0.00   
1 1 1 34 5  1  o 33.054  0.1600 33.583  -87.7000  0.40   -0.99  0.50   0.05   
1 1 1 34 5  2  o 24.870  0.1552 24.154  134.600   0.11   -0.54  0.46   -0.88  
1 1 1 34 5  3  o 12.678  0.2805 19.524  -51.7000  1.99   -0.79  -0.24  0.19   
1 1 1 34 5  4  o 9.5975  0.1303 8.1032  175.200   -1.27  -1.27  -0.36  -1.40  
1 1 1 34 5  5  o 26.511  0.1424 22.337  -150.2000 -0.54  -1.21  1.38   0.16   
1 1 1 34 5  6  o 11.528  0.2383 9.0523  -171.7000 -2.20  2.27   0.21   1.17   
1 1 1 34 5  7  o 24.138  0.1727 24.074  27.700    0.44   -0.02  -0.09  0.20   
1 1 1 34 5  8  o 40.843  0.2004 39.151  -74.6000  -2.92  -2.19  -2.74  -0.79  
1 1 1 34 5  9  o 19.414  0.2024 18.346  107.000   0.63   0.68   0.05   -0.12  
1 1 1 34 5  10 o 26.945  0.1581 28.736  18.800    0.59   -0.00  -0.08  0.23   
1 1 1 34 5  11 o 21.177  0.4961 22.972  147.700   -4.15  1.18   -0.52  0.17   
1 1 1 34 5  12 o 16.412  0.1618 14.052  55.200    1.46   0.89   -1.23  -0.21  
1 1 1 34 5  13 o 5.1340  0.2914 2.1848  -126.4000 -0.03  -0.06  -0.00  -0.01  
1 1 1 34 5  14 o 11.475  0.1819 9.9994  98.400    0.71   1.20   -0.08  -0.44  
1 1 1 34 5  15 o 14.021  0.1702 12.812  -24.0000  1.60   -0.21  -0.56  -1.06  
1 1 1 34 5  16 f 8.3935  0.2382 7.9229  62.000    1.64   0.68   -1.35  0.24   
1 1 1 34 5  17 o 7.3827  0.2770 7.3995  -161.5000 -0.14  -0.01  -0.00  0.01   
1 1 1 34 5  18 o 6.1064  0.3409 3.1940  35.200    0.01   -0.30  -0.07  0.04   
1 1 1 34 5  19 o 4.7132  0.4760 4.6000  158.100   -0.13  0.47   0.02   -0.00  
1 1 1 34 5  20 o 6.4203  0.3577 7.7909  143.900   0.47   1.35   -0.03  -0.25  
1 1 1 34 5  21 o 12.701  0.2288 12.882  63.700    0.09   0.89   -0.09  0.09   
1 1 1 34 5  22 o 2.4084  1.1248 ?       ?         0.01   0.31   0.00   0.02   
1 1 1 34 5  23 o 6.6041  0.6084 ?       ?         0.18   1.03   -0.02  -0.03  
1 1 1 34 5  24 o 6.1908  0.7736 ?       ?         -0.38  -0.99  -0.01  0.02   
1 1 1 34 6  0  o 70.284  0.4285 55.130  -0.0000   2.05   0.00   0.00   0.00   
1 1 1 34 6  1  o 23.262  0.1515 22.872  88.900    0.53   -0.47  -0.12  0.19   
1 1 1 34 6  2  o 40.150  0.1887 34.199  -160.6000 -0.52  -0.65  0.13   -0.11  
1 1 1 34 6  3  o 8.8344  0.1321 10.105  51.300    0.30   0.32   -0.05  -0.23  
1 1 1 34 6  4  o 38.170  0.6010 31.236  125.700   -0.28  4.71   0.57   -0.08  
1 1 1 34 6  5  o 19.122  0.2326 16.859  -90.8000  2.05   -1.40  -0.50  0.67   
1 1 1 34 6  6  o 26.839  0.1511 20.452  109.500   1.73   0.99   0.15   -1.54  
1 1 1 34 6  7  o 3.4739  0.3379 2.8681  172.600   0.77   0.78   -0.03  -0.24  
1 1 1 34 6  8  o 4.8992  0.3919 2.7550  -8.4000   -0.97  -0.63  -0.04  -0.11  
1 1 1 34 6  9  o 19.582  0.1343 23.586  -8.7000   0.25   0.72   0.64   0.27   
1 1 1 34 6  10 o 26.651  0.1608 24.061  42.200    1.41   2.54   -0.19  -1.83  
1 1 1 34 6  11 o 7.6550  0.2079 6.1497  -10.7000  -0.01  0.18   0.02   0.02   
1 1 1 34 6  12 o 24.841  0.4663 26.429  169.200   -1.53  -4.52  0.66   -0.19  
1 1 1 34 6  13 o 18.790  0.1482 21.405  66.200    0.05   0.63   0.03   -0.18  
1 1 1 34 6  14 o 4.6360  0.3368 6.1339  -104.4000 -0.52  -0.05  -0.06  -0.05  
1 1 1 34 6  15 o 9.9995  0.2185 9.1097  -87.3000  0.48   -0.40  0.31   0.09   
1 1 1 34 6  16 o 2.2513  0.6003 2.1223  109.400   0.16   -0.01  -0.02  -0.01  
1 1 1 34 6  17 o 16.504  0.1765 17.015  -55.2000  0.76   -0.04  0.21   -0.10  
1 1 1 34 6  18 o 11.557  0.2007 11.279  -83.4000  0.17   -0.16  0.02   -0.01  
1 1 1 34 6  19 o 3.0087  0.6254 3.3989  65.100    -0.28  -0.16  -0.02  -0.01  
1 1 1 34 6  20 f 4.0848  0.8454 6.1958  113.600   -0.77  1.20   -0.02  0.13   
1 1 1 34 6  21 f 8.2716  0.2955 6.5424  -45.3000  0.95   -1.19  0.30   -0.06  
1 1 1 34 6  22 o 7.1026  0.5497 ?       ?         -0.49  0.80   -0.04  0.03   
1 1 1 34 6  23 o 5.0256  0.6109 ?       ?         -0.04  0.29   -0.00  -0.00  
1 1 1 34 6  24 o 6.3685  0.8305 ?       ?         1.09   0.31   0.02   0.01   
1 1 1 34 6  25 o 10.412  1.0151 ?       ?         -0.77  -0.66  0.00   0.00   
1 1 1 34 7  0  o 17.152  0.1731 15.057  -180.0000 -0.39  0.00   0.00   0.00   
1 1 1 34 7  1  o 21.543  0.2916 21.566  87.200    1.91   -0.16  -0.25  0.09   
1 1 1 34 7  2  o 10.247  0.1541 5.9492  -17.6000  0.08   -0.08  0.35   -0.10  
1 1 1 34 7  3  o 20.818  0.5712 20.854  -71.4000  4.51   -8.86  0.95   1.56   
1 1 1 34 7  4  o 19.337  0.1276 21.878  -46.4000  0.78   0.90   0.35   -0.49  
1 1 1 34 7  5  o 10.996  0.4526 12.132  -113.7000 -4.76  -1.35  -0.83  -0.42  
1 1 1 34 7  6  o 9.4748  0.1428 12.533  -8.9000   -0.98  -0.81  -0.22  -0.52  
1 1 1 34 7  7  o 5.8416  0.3061 4.8558  -19.2000  -0.51  1.90   0.39   0.30   
1 1 1 34 7  8  o 6.0080  0.2223 2.1826  -122.1000 0.24   0.07   0.64   -0.78  
1 1 1 34 7  9  o 22.316  0.2861 20.278  -135.4000 0.16   -4.51  1.53   0.62   
1 1 1 34 7  10 f 4.9506  0.2679 0.8334  147.800   0.35   0.15   -0.04  -0.09  
1 1 1 34 7  11 o 10.401  0.1835 11.035  12.900    0.55   0.98   0.22   -0.17  
1 1 1 34 7  12 o 4.7440  0.4818 4.9886  85.500    0.58   0.95   0.03   -0.09  
1 1 1 34 7  13 f 25.698  0.4120 23.244  103.900   -3.36  3.04   -0.49  0.70   
1 1 1 34 7  14 o 10.727  0.1824 9.5501  71.000    -0.06  0.10   -0.02  -0.01  
1 1 1 34 7  15 f 12.661  0.1757 12.067  117.400   0.14   0.08   -0.01  0.02   
1 1 1 34 7  16 o 5.3609  0.5496 6.2729  -168.9000 -0.09  -0.01  -0.00  -0.00  
1 1 1 34 7  17 o 7.5325  0.2469 8.1517  -28.2000  -0.09  -0.69  0.04   -0.17  
1 1 1 34 7  18 o 12.618  0.3274 12.526  -166.5000 0.15   0.61   0.03   0.01   
1 1 1 34 7  19 f 13.310  0.1981 13.326  -83.9000  -0.04  0.07   -0.00  -0.00  
1 1 1 34 7  20 o 9.7564  0.2479 9.7692  116.100   -0.08  0.58   -0.00  -0.06  
1 1 1 34 7  21 o 5.5797  0.8434 6.5964  2.1000    1.19   0.63   0.00   -0.06  
1 1 1 34 7  22 o 5.0353  0.4729 ?       ?         0.15   -0.04  -0.00  -0.00  
1 1 1 34 7  23 o 3.8327  0.8163 ?       ?         -0.18  -0.38  0.00   0.02   
1 1 1 34 7  24 o 4.4796  1.0615 ?       ?         -0.15  0.12   0.00   -0.00  
1 1 1 34 7  25 o 2.8107  2.0265 ?       ?         0.41   1.09   0.00   0.00   
1 1 1 34 8  0  o 23.709  0.2813 19.843  -180.0000 -0.46  0.00   0.00   0.00   
1 1 1 34 8  1  o 17.638  0.1180 17.176  -5.3000   -0.09  0.12   0.00   0.01   
1 1 1 34 8  2  o 13.678  0.2554 13.443  -65.5000  4.88   -2.94  -0.98  2.46   
1 1 1 34 8  3  o 18.115  0.1305 18.436  -82.9000  -0.20  -1.30  0.97   0.23   
1 1 1 34 8  4  o 16.055  0.3487 14.847  -4.8000   3.83   -1.94  -0.50  0.94   
1 1 1 34 8  5  o 11.927  0.3718 11.210  161.100   -1.30  11.93  6.85   0.84   
1 1 1 34 8  6  f 17.447  0.1740 20.214  -74.5000  -0.03  -1.95  0.73   0.18   
1 1 1 34 8  7  o 4.0414  0.2743 8.1864  39.300    0.35   -0.31  0.05   0.26   
1 1 1 34 8  8  o 19.814  0.2632 25.342  68.600    -0.48  4.77   1.77   0.92   
1 1 1 34 8  9  o 24.391  0.5674 24.893  55.200    9.78   9.57   0.48   -3.30  
1 1 1 34 8  10 o 2.6351  0.4176 1.6230  31.000    0.00   0.06   0.00   0.00   
1 1 1 34 8  11 o 12.456  0.2153 9.6325  -36.6000  0.78   -0.45  -0.09  0.08   
1 1 1 34 8  12 o 12.351  0.4659 11.288  -9.1000   4.18   0.64   -0.46  -0.24  
1 1 1 34 8  13 o 12.420  0.1733 10.910  -132.1000 0.16   0.03   0.04   0.02   
1 1 1 34 8  14 o 11.773  0.1827 11.456  -98.2000  -0.38  -0.55  0.38   0.16   
1 1 1 34 8  15 o 14.330  0.1809 12.068  -62.3000  0.80   0.35   0.11   -0.25  
1 1 1 34 8  16 o 3.4822  0.4282 4.3518  -94.5000  0.12   -0.17  -0.11  -0.01  
1 1 1 34 8  17 o 11.292  0.2082 12.262  85.700    -0.21  0.58   -0.22  -0.17  
1 1 1 34 8  18 o 4.9563  0.3940 2.7997  -114.9000 -0.04  0.13   -0.00  -0.01  
1 1 1 34 8  19 o 4.2602  0.4392 4.6974  71.500    0.19   0.12   0.03   0.00   
1 1 1 34 8  20 o 4.6468  0.4443 4.8835  22.200    -0.50  -0.33  -0.04  -0.01  
1 1 1 34 8  21 o 2.9100  0.9621 2.7825  -103.6000 -0.11  -0.57  0.01   -0.04  
1 1 1 34 8  22 o 4.1573  0.6280 ?       ?         0.91   -0.57  0.12   0.04   
1 1 1 34 8  23 o 4.5288  0.7415 ?       ?         -0.16  0.45   -0.01  0.00   
1 1 1 34 8  24 o 2.9317  1.0187 ?       ?         -0.21  0.24   -0.00  -0.01  
1 1 1 34 8  25 o 0.0000  4.4609 ?       ?         -0.33  -0.38  0.00   0.00   
1 1 1 34 9  0  o 52.181  0.3219 56.470  0.0000    1.12   0.00   0.00   0.00   
1 1 1 34 9  1  o 31.304  0.1555 34.603  -66.9000  0.02   0.01   -0.00  0.00   
1 1 1 34 9  2  o 23.722  0.3761 22.577  154.800   -2.38  -0.89  -0.20  -0.27  
1 1 1 34 9  3  o 29.841  0.5488 31.690  -127.1000 -9.51  0.81   -2.38  0.95   
1 1 1 34 9  4  o 21.508  0.5756 22.629  -139.0000 -9.17  -11.79 1.86   -4.71  
1 1 1 34 9  5  o 11.722  0.1368 12.008  110.200   0.15   -0.40  0.21   0.06   
1 1 1 34 9  6  o 11.613  0.1745 8.9005  62.600    -0.07  -0.65  0.12   -0.06  
1 1 1 34 9  7  o 22.605  0.4423 16.909  -3.0000   2.12   -4.50  0.69   0.57   
1 1 1 34 9  8  o 25.831  0.1488 29.924  86.300    1.32   1.53   -0.80  -1.13  
1 1 1 34 9  9  o 30.212  0.1841 27.928  147.500   -0.02  -0.45  -0.26  -0.02  
1 1 1 34 9  10 o 14.004  0.1653 11.767  -42.4000  -0.09  -0.54  0.06   -0.07  
1 1 1 34 9  11 o 15.563  0.1438 17.520  71.800    -0.15  0.35   -0.42  -0.05  
1 1 1 34 9  12 o 11.561  0.1800 16.357  -70.3000  -0.16  -1.80  1.06   -1.78  
1 1 1 34 9  13 o 7.0681  0.2945 7.5518  157.500   0.47   -0.27  -0.01  0.04   
1 1 1 34 9  14 o 15.241  0.1591 13.878  156.400   -0.46  0.03   0.08   0.15   
1 1 1 34 9  15 o 26.727  0.1661 26.458  174.100   -1.98  -0.27  1.30   -0.38  
1 1 1 34 9  16 o 9.9279  0.2169 10.505  -52.4000  0.86   -0.91  -0.28  0.21   
1 1 1 34 9  17 o 5.9896  0.3263 5.9511  -136.2000 -0.13  -0.76  0.16   0.25   
1 1 1 34 9  18 o 15.328  0.1882 15.353  -2.8000   0.04   0.03   0.00   -0.00  
1 1 1 34 9  19 f 10.277  0.5968 10.069  -165.5000 -1.20  0.91   0.02   0.06   
1 1 1 34 9  20 o 4.2771  0.4579 4.1721  62.100    -0.36  0.36   0.04   0.01   
1 1 1 34 9  21 o 2.9902  0.6894 1.9959  162.800   0.02   -0.09  -0.00  -0.00  
1 1 1 34 9  22 o 4.0778  0.6073 ?       ?         -0.26  -0.16  -0.01  0.01   
1 1 1 34 9  23 o 6.2049  0.8406 ?       ?         0.43   -0.42  0.01   0.00   
1 1 1 34 9  24 o 6.4760  1.5891 ?       ?         -0.38  1.73   -0.01  0.07   
1 1 1 34 9  25 o 3.5214  1.9481 ?       ?         0.34   -0.20  0.00   0.00   
1 1 1 34 10 0  o 5.4222  0.2298 3.1107  -179.7000 -0.09  0.00   0.00   0.00   
1 1 1 34 10 1  o 7.7545  0.2979 6.3191  49.400    3.86   2.92   -0.78  -1.99  
1 1 1 34 10 2  o 36.585  0.2852 32.451  69.000    -0.28  2.38   0.44   0.41   
1 1 1 34 10 3  o 18.698  0.2893 15.775  -162.2000 -0.88  0.88   0.04   0.16   
1 1 1 34 10 4  o 17.292  0.2394 13.600  159.600   -0.24  -1.13  0.17   -0.03  
1 1 1 34 10 5  o 46.924  0.2164 39.905  -52.7000  0.60   -0.25  -0.08  -0.27  
1 1 1 34 10 6  o 34.160  0.4639 28.178  46.500    -0.83  7.36   2.20   -0.28  
1 1 1 34 10 7  o 16.200  0.1254 13.330  29.900    0.65   0.08   -0.26  -0.44  
1 1 1 34 10 8  o 30.706  0.1670 27.799  -11.8000  0.62   0.67   0.14   -0.12  
1 1 1 34 10 9  o 20.020  0.1579 19.165  69.500    -0.26  1.58   0.38   0.41   
1 1 1 34 10 10 o 26.755  0.5858 27.845  87.900    -1.61  5.50   0.47   0.53   
1 1 1 34 10 11 o 10.185  0.2139 7.4086  149.700   -1.48  0.17   -0.31  0.19   
1 1 1 34 10 12 o 10.219  0.3214 8.3333  -26.9000  1.66   3.68   1.00   -0.64  
1 1 1 34 10 13 o 5.2222  0.3090 1.9149  129.000   -0.22  -0.98  0.18   -0.01  
1 1 1 34 10 14 o 11.464  0.2638 11.883  27.100    0.25   1.35   0.21   0.03   
1 1 1 34 10 15 f 11.680  0.1914 13.054  120.900   -0.07  0.46   -0.05  -0.25  
1 1 1 34 10 16 o 14.237  0.2021 13.803  157.400   0.13   0.48   0.03   0.03   
1 1 1 34 10 17 o 10.983  0.2387 11.550  -152.7000 0.72   -0.40  0.04   0.09   
1 1 1 34 10 18 o 11.561  0.2020 11.676  156.000   -0.64  -0.13  0.14   0.07   
1 1 1 34 10 19 o 4.9439  0.3938 3.1378  -58.2000  0.13   0.30   0.02   0.01   
1 1 1 34 10 20 o 5.2898  0.4102 5.0385  -153.9000 -0.97  -1.53  0.39   0.02   
1 1 1 34 10 21 o 13.529  0.2565 14.787  -64.6000  0.08   -0.38  -0.01  0.01   
1 1 1 34 10 22 o 7.8817  0.4029 ?       ?         -0.37  0.96   -0.00  -0.09  
1 1 1 34 10 23 o 5.7077  0.6223 ?       ?         -0.45  -0.93  -0.03  -0.02  
1 1 1 34 10 24 o 7.9165  0.6382 ?       ?         -0.52  -0.41  0.00   0.00   
1 1 1 34 10 25 o 8.8091  1.1109 ?       ?         0.62   0.63   0.00   0.00   
1 1 1 34 11 0  o 2.0000  0.4896 1.4334  -178.5000 -0.01  0.00   0.00   0.00   
1 1 1 34 11 1  o 5.5975  0.1895 1.8611  -129.0000 3.28   1.62   -2.29  -2.36  
1 1 1 34 11 2  o 16.409  0.1259 10.023  -38.5000  -0.27  0.12   -0.23  -0.07  
1 1 1 34 11 3  o 20.781  0.1359 21.252  7.3000    0.69   0.71   3.49   1.04   
1 1 1 34 11 4  o 23.134  0.2391 26.667  152.800   -1.28  -0.33  -0.14  -0.14  
1 1 1 34 11 5  o 23.521  0.3144 17.881  -54.6000  -2.56  -3.24  -0.05  -1.35  
1 1 1 34 11 6  o 13.495  0.2753 13.989  -16.3000  1.88   -1.58  0.00   0.52   
1 1 1 34 11 7  f 11.855  0.2359 9.6640  -129.9000 -3.83  1.98   -0.93  2.33   
1 1 1 34 11 8  o 20.820  0.1390 19.611  66.000    0.89   0.60   -0.84  -0.23  
1 1 1 34 11 9  o 4.6399  0.2865 1.5037  169.500   0.63   0.37   -0.05  -0.20  
1 1 1 34 11 10 o 8.9613  0.2744 10.646  -63.2000  -0.04  -0.51  0.03   0.00   
1 1 1 34 11 11 o 11.062  0.3086 9.4499  -32.2000  -2.38  -4.13  1.14   -1.13  
1 1 1 34 11 12 o 16.183  0.1522 14.297  -151.0000 -0.57  -0.80  -0.23  -0.28  
1 1 1 34 11 13 o 5.7387  0.2898 7.7887  -146.9000 0.05   0.00   -0.00  0.00   
1 1 1 34 11 14 o 12.841  0.3948 12.311  116.800   -0.84  2.00   0.09   0.23   
1 1 1 34 11 15 o 8.6264  0.2359 8.2647  -58.8000  0.14   0.09   0.00   -0.01  
1 1 1 34 11 16 o 4.4822  0.6935 5.5634  -8.3000   1.15   -0.77  -0.07  0.08   
1 1 1 34 11 17 o 7.1451  0.3832 7.1921  143.900   -0.92  0.61   0.03   0.12   
1 1 1 34 11 18 o 6.7098  0.3120 7.4985  71.900    0.62   0.48   -0.09  -0.03  
1 1 1 34 11 19 o 10.245  0.2347 10.069  -18.8000  0.79   0.60   0.19   0.22   
1 1 1 34 11 20 o 9.6322  0.3402 9.4671  106.600   0.32   1.06   0.08   0.07   
1 1 1 34 11 21 o 7.0776  0.4032 7.7982  -157.3000 0.29   0.37   -0.03  0.02   
1 1 1 34 11 22 o 3.9285  0.6834 ?       ?         -0.21  -0.08  0.00   0.00   
1 1 1 34 11 23 o 7.0096  0.4772 ?       ?         0.39   0.23   -0.00  0.01   
1 1 1 34 11 24 o 7.4597  0.7052 ?       ?         -1.04  0.78   0.01   -0.01  
1 1 1 34 12 0  o 5.0990  0.2609 1.5556  -1.3000   -0.07  0.00   0.00   0.00   
1 1 1 34 12 1  o 11.209  0.1196 11.341  70.600    0.27   0.95   1.12   -0.10  
1 1 1 34 12 2  o 25.830  0.1488 23.807  -43.4000  0.26   1.11   0.23   -0.55  
1 1 1 34 12 3  o 31.267  0.2151 35.001  -25.2000  2.45   1.34   -0.11  -1.13  
1 1 1 34 12 4  o 20.252  0.2033 19.414  50.700    2.99   2.43   0.19   -2.23  
1 1 1 34 12 5  o 14.390  0.2686 18.022  81.100    4.36   -1.16  -1.29  1.01   
1 1 1 34 12 6  o 17.846  0.1374 18.203  -13.0000  0.36   -0.46  0.97   -0.19  
1 1 1 34 12 7  o 16.438  0.1583 13.914  -151.2000 -0.43  -2.05  1.00   -1.42  
1 1 1 34 12 8  o 16.964  0.1978 16.003  -76.0000  0.30   -1.72  0.41   0.01   
1 1 1 34 12 9  o 14.661  0.2451 11.685  -105.2000 -1.01  -0.94  0.06   -0.21  
1 1 1 34 12 10 o 3.0509  0.3923 1.9558  91.600    -0.12  -0.03  -0.01  -0.00  
1 1 1 34 12 11 o 8.6520  0.1870 10.254  -115.4000 -0.90  -0.60  0.26   -0.79  
1 1 1 34 12 12 o 10.494  0.1742 10.799  14.100    0.57   -0.04  -0.09  0.11   
1 1 1 34 12 13 o 14.152  0.4028 13.908  59.300    3.18   -0.87  -0.55  0.07   
1 1 1 34 12 14 o 2.4321  0.5547 5.5390  -105.7000 -0.24  -0.16  -0.03  -0.02  
1 1 1 34 12 15 o 11.102  0.1839 9.2594  134.200   -0.15  -0.26  0.01   0.12   
1 1 1 34 12 16 o 11.328  0.1933 13.975  -37.2000  -0.14  -0.05  0.01   -0.01  
1 1 1 34 12 17 o 8.8223  0.2405 9.0439  -123.1000 -0.17  -0.93  0.01   -0.19  
1 1 1 34 12 18 o 7.2887  0.2932 6.6065  49.200    0.50   0.78   -0.35  0.01   
1 1 1 34 12 19 o 16.125  0.1953 15.752  32.800    1.24   2.43   0.20   0.89   
1 1 1 34 12 20 o 5.7639  0.4078 5.6545  -29.1000  0.31   -0.04  0.02   -0.02  
1 1 1 34 12 21 o 7.4379  0.3828 ?       ?         0.02   0.89   -0.03  -0.06  
1 1 1 34 12 22 o 5.7468  0.5087 ?       ?         -1.03  -0.64  0.01   0.10   
1 1 1 34 12 23 o 5.9999  0.6335 ?       ?         0.38   -0.56  0.00   -0.01  
1 1 1 34 12 24 o 3.5627  1.0103 ?       ?         -0.26  -0.09  0.00   0.00   
1 1 1 34 13 0  o 21.480  0.2120 17.177  -0.1000   -0.23  0.00   0.00   0.00   
1 1 1 34 13 1  o 18.405  0.4471 15.342  -99.6000  -0.98  -3.28  0.30   -0.26  
1 1 1 34 13 2  o 23.322  0.1339 26.642  133.500   -0.07  0.34   -0.17  0.30   
1 1 1 34 13 3  o 25.868  0.3579 30.156  -73.1000  2.84   -2.27  -0.00  0.66   
1 1 1 34 13 4  o 18.952  0.1254 13.837  10.900    0.96   0.52   0.83   -1.99  
1 1 1 34 13 5  o 5.5057  0.2083 6.7350  119.200   -0.16  0.12   0.67   0.28   
1 1 1 34 13 6  o 20.359  0.1275 21.839  33.300    0.16   -0.88  0.49   -0.21  
1 1 1 34 13 7  o 9.7074  0.1642 7.6899  140.000   -0.10  1.24   0.89   -0.22  
1 1 1 34 13 8  o 18.172  0.2025 16.706  42.200    0.41   2.11   0.44   -0.38  
1 1 1 34 13 9  o 16.699  0.1289 12.922  89.100    0.37   -0.24  0.50   -0.17  
1 1 1 34 13 10 o 18.110  0.4324 17.668  -154.0000 -6.84  -3.37  -0.81  -1.85  
1 1 1 34 13 11 o 17.612  0.3193 19.927  -68.0000  5.55   -2.71  -1.75  1.12   
1 1 1 34 13 12 o 8.8928  0.1965 8.5783  -116.3000 0.16   -0.91  0.21   0.43   
1 1 1 34 13 13 o 13.538  0.3776 11.987  92.800    3.00   1.98   0.02   -0.73  
1 1 1 34 13 14 o 3.8599  0.4411 0.7694  136.100   -0.05  -0.09  0.00   -0.00  
1 1 1 34 13 15 o 10.385  0.2575 8.9784  -19.0000  1.53   1.05   0.10   -0.42  
1 1 1 34 13 16 o 9.0540  0.2746 11.303  10.900    1.94   0.07   -0.37  0.33   
1 1 1 34 13 17 f 4.3624  0.3934 2.0880  -157.7000 0.34   0.09   -0.04  0.05   
1 1 1 34 13 18 o 5.2649  0.5392 4.4704  -178.0000 -2.01  -1.32  -0.37  -0.23  
1 1 1 34 13 19 o 9.1312  0.2378 10.673  -26.2000  0.54   0.32   0.11   0.01   
1 1 1 34 13 20 o 4.0023  0.5108 4.0623  70.400    0.15   0.24   -0.00  0.02   
1 1 1 34 13 21 o 6.4236  0.4384 ?       ?         0.21   1.11   -0.15  -0.00  
1 1 1 34 13 22 o 4.1874  0.8848 ?       ?         0.35   0.12   -0.00  0.01   
1 1 1 34 13 23 o 3.1055  0.9551 ?       ?         -0.14  0.38   -0.01  -0.01  
1 1 1 34 13 24 f 6.0844  1.1991 ?       ?         0.77   -0.49  -0.01  -0.01  
1 1 1 34 14 0  f 28.850  0.2031 32.801  0.1000    0.41   0.00   0.00   0.00   
1 1 1 34 14 1  o 18.409  0.1190 9.9735  23.400    1.88   0.06   -1.72  -1.11  
1 1 1 34 14 2  o 7.7352  0.2764 11.428  -179.9000 -4.88  0.62   -2.05  0.73   
1 1 1 34 14 3  o 24.224  0.2791 21.919  -138.8000 -3.13  -2.39  -0.68  -1.12  
1 1 1 34 14 4  o 15.278  0.2533 15.584  82.900    2.23   3.52   1.05   -1.36  
1 1 1 34 14 5  o 21.532  0.1409 23.654  -21.5000  -0.18  0.31   -0.12  0.13   
1 1 1 34 14 6  o 42.528  0.2689 40.593  -119.6000 0.63   -0.99  0.15   0.03   
1 1 1 34 14 7  o 19.237  0.1412 19.965  114.000   -0.44  0.00   -0.11  -0.19  
1 1 1 34 14 8  o 2.7192  1.2010 3.5533  -42.7000  0.14   -3.29  0.48   0.06   
1 1 1 34 14 9  o 23.440  0.1489 23.841  -28.6000  0.30   -0.44  -0.05  -0.42  
1 1 1 34 14 10 f 17.333  0.1393 19.921  86.400    0.28   0.84   -0.23  -0.66  
1 1 1 34 14 11 o 4.8022  0.2972 4.6437  39.600    -0.04  0.21   -0.11  0.21   
1 1 1 34 14 12 o 13.339  0.3953 12.282  98.700    -0.05  5.81   1.58   -0.62  
1 1 1 34 14 13 o 8.9738  0.2082 6.2419  87.700    -1.70  -0.06  -0.76  -1.41  
1 1 1 34 14 14 o 9.7836  0.3001 8.5184  -35.6000  -0.46  0.58   -0.01  0.05   
1 1 1 34 14 15 o 3.8038  0.4484 3.1400  -19.8000  0.14   -0.04  -0.01  -0.01  
1 1 1 34 14 16 o 10.583  0.2088 11.719  -106.1000 -0.79  -0.96  -0.42  -0.18  
1 1 1 34 14 17 o 12.908  0.2824 11.626  -34.9000  3.04   -0.43  -0.61  -0.38  
1 1 1 34 14 18 o 6.7926  0.3050 5.8433  -153.1000 -0.16  -0.01  -0.00  0.01   
1 1 1 34 14 19 o 3.8073  0.5286 5.5024  157.700   -0.15  0.02   -0.00  0.00   
1 1 1 34 14 20 o 5.5671  0.6086 6.1037  -22.9000  0.74   0.69   0.05   -0.03  
1 1 1 34 14 21 o 9.1939  0.3315 ?       ?         0.44   -0.15  0.00   -0.02  
1 1 1 34 14 22 o 4.9763  0.6236 ?       ?         0.07   0.38   -0.01  0.00   
1 1 1 34 14 23 o 8.2699  0.4649 ?       ?         0.96   -1.58  -0.11  -0.04  
1 1 1 34 14 24 f 7.4490  0.7319 ?       ?         2.05   0.15   0.01   -0.05  
1 1 1 34 15 0  o 16.371  0.1603 16.761  -180.0000 -0.24  0.00   0.00   0.00   
1 1 1 34 15 1  o 8.3263  0.1340 6.3263  108.500   1.50   1.91   0.75   -1.70  
1 1 1 34 15 2  o 19.814  0.2070 18.703  20.100    0.96   -0.56  -0.04  0.16   
1 1 1 34 15 3  o 30.379  0.8112 27.563  -178.9000 -15.87 -3.37  -2.43  -1.57  
1 1 1 34 15 4  o 12.842  0.4665 21.787  -104.8000 -12.11 1.14   -4.14  1.23   
1 1 1 34 15 5  o 15.752  0.6158 16.064  -67.4000  10.19  -7.30  -1.05  2.36   
1 1 1 34 15 6  o 11.327  0.1581 10.456  -124.7000 0.33   -1.14  0.33   0.46   
1 1 1 34 15 7  o 21.058  0.1903 18.578  17.000    2.93   -0.47  -1.19  -0.11  
1 1 1 34 15 8  o 7.6440  0.1756 9.8798  106.800   0.83   1.65   0.84   -0.59  
1 1 1 34 15 9  o 12.795  0.1391 15.036  83.400    -1.27  0.00   -0.46  -0.28  
1 1 1 34 15 10 o 11.270  0.1664 16.254  179.100   0.29   0.04   -0.01  -0.12  
1 1 1 34 15 11 o 11.147  0.1651 9.8544  33.800    -0.19  0.88   0.12   0.30   
1 1 1 34 15 12 o 10.577  0.3542 10.737  166.200   -3.29  -4.07  1.08   -1.57  
1 1 1 34 15 13 o 13.468  0.1635 14.519  67.200    1.12   0.03   -0.03  0.85   
1 1 1 34 15 14 o 13.161  0.2562 15.068  -112.8000 0.09   -1.15  0.10   0.09   
1 1 1 34 15 15 o 13.268  0.1757 13.870  82.500    0.34   0.32   0.00   0.13   
1 1 1 34 15 16 o 10.773  0.4184 10.304  110.300   -2.29  4.43   0.09   1.29   
1 1 1 34 15 17 o 11.807  0.2307 11.190  161.500   -0.48  -0.88  -0.07  -0.11  
1 1 1 34 15 18 o 8.7256  0.4994 10.001  156.500   -0.18  -0.26  0.00   -0.00  
1 1 1 34 15 19 o 4.5338  0.4165 5.0048  -177.9000 0.03   -0.49  0.01   -0.06  
1 1 1 34 15 20 o 7.7757  0.3817 7.4867  96.900    0.21   0.94   -0.05  -0.07  
1 1 1 34 15 21 o 6.8976  0.3878 ?       ?         0.67   -0.89  -0.11  -0.09  
1 1 1 34 15 22 o 13.563  0.3374 ?       ?         1.57   -0.28  0.05   -0.04  
1 1 1 34 15 23 o 8.5884  0.9331 ?       ?         -0.36  -0.96  0.01   0.01   
1 1 1 34 15 24 o 3.2478  1.5437 ?       ?         0.13   -0.19  -0.00  -0.00  
1 1 1 34 16 0  o 12.353  0.1874 14.388  -180.0000 0.00   0.00   0.00   0.00   
1 1 1 34 16 1  o 20.300  0.1200 19.860  -94.3000  0.85   -0.67  -0.81  0.44   
1 1 1 34 16 2  o 14.190  0.1733 13.017  -136.6000 -0.42  -0.04  -0.03  -0.02  
1 1 1 34 16 3  o 8.0372  0.2125 13.158  -161.8000 -2.02  2.82   0.80   1.56   
1 1 1 34 16 4  o 29.636  0.1527 28.826  -1.5000   0.17   -0.46  0.13   -0.08  
1 1 1 34 16 5  o 26.285  0.1678 26.141  168.200   -1.92  -2.18  1.20   -1.24  
1 1 1 34 16 6  o 12.685  0.1267 6.5900  76.500    0.68   -0.14  -0.43  -0.08  
1 1 1 34 16 7  o 20.727  0.5796 19.741  155.500   -12.18 -1.41  -2.23  -0.87  
1 1 1 34 16 8  o 17.106  0.3849 13.331  -145.4000 -2.84  1.10   -0.38  0.20   
1 1 1 34 16 9  o 19.399  0.1651 20.085  -126.3000 -0.49  -0.74  -0.85  -0.09  
1 1 1 34 16 10 o 20.858  0.1494 21.973  156.600   -1.02  0.01   -0.08  0.50   
1 1 1 34 16 11 o 7.9673  0.2065 8.2556  52.200    -0.04  1.24   0.33   0.21   
1 1 1 34 16 12 o 13.840  0.2859 14.539  -98.5000  2.21   -1.61  -0.53  0.44   
1 1 1 34 16 13 o 11.935  0.2739 11.889  83.100    -3.45  1.86   -1.39  0.65   
1 1 1 34 16 14 f 9.2440  0.2938 10.046  96.500    0.22   0.93   0.06   -0.07  
1 1 1 34 16 15 o 27.660  0.1856 25.990  -81.8000  0.94   -1.82  -0.37  0.08   
1 1 1 34 16 16 o 7.1864  0.2773 6.5900  -49.7000  -0.10  0.01   -0.00  0.00   
1 1 1 34 16 17 o 9.0878  0.2336 8.0215  166.900   -1.30  0.91   -0.64  -0.08  
1 1 1 34 16 18 o 13.218  0.1954 12.814  63.700    0.19   0.40   -0.00  0.05   
1 1 1 34 16 19 o 5.8231  0.5699 5.7043  -92.7000  -1.22  -0.61  -0.12  -0.01  
1 1 1 34 16 20 o 14.766  0.2581 16.183  88.000    0.20   2.35   -0.06  0.33   
1 1 1 34 16 21 o 0.0000  2.1174 ?       ?         0.23   -0.28  -0.01  -0.06  
1 1 1 34 16 22 o 8.3156  0.4628 ?       ?         0.38   -0.04  0.01   0.00   
1 1 1 34 16 23 o 11.828  0.3687 ?       ?         -0.16  -0.74  -0.01  0.01   
1 1 1 34 16 24 o 2.8994  1.1633 ?       ?         0.02   -0.51  -0.01  -0.00  
1 1 1 34 17 0  o 34.550  0.2457 31.605  180.000   0.11   0.00   0.00   0.00   
1 1 1 34 17 1  o 23.465  0.3544 23.489  168.800   -2.72  -3.48  0.01   -0.94  
1 1 1 34 17 2  o 12.146  0.4202 12.990  122.700   -5.88  0.87   -1.11  0.47   
1 1 1 34 17 3  o 26.933  0.4536 27.646  149.900   -5.51  5.10   0.27   1.77   
1 1 1 34 17 4  o 10.595  0.4022 5.6661  59.900    2.73   1.74   -0.18  -0.31  
1 1 1 34 17 5  o 8.4200  0.2831 9.5278  -19.8000  3.24   -0.21  -0.79  0.21   
1 1 1 34 17 6  o 14.045  0.1716 14.624  -52.9000  1.06   0.18   -0.16  -0.12  
1 1 1 34 17 7  o 3.2332  0.3116 4.1700  83.600    0.11   0.09   -0.17  -0.04  
1 1 1 34 17 8  o 18.156  0.1672 19.761  155.400   -0.89  -0.22  -0.18  0.02   
1 1 1 34 17 9  f 22.016  0.1450 21.518  -157.0000 -0.30  -1.67  0.81   0.69   
1 1 1 34 17 10 o 18.372  0.1354 19.900  80.600    0.42   0.45   0.33   0.48   
1 1 1 34 17 11 o 17.475  0.5884 17.633  85.700    -5.54  5.34   -0.48  1.20   
1 1 1 34 17 12 o 8.3524  0.1974 10.865  -78.8000  0.32   -0.84  0.29   -0.01  
1 1 1 34 17 13 o 12.857  0.3852 11.789  68.400    -0.33  3.53   0.51   0.35   
1 1 1 34 17 14 o 7.5886  0.2486 9.5922  151.800   0.24   -0.33  -0.16  0.04   
1 1 1 34 17 15 o 11.701  0.3222 12.715  -107.2000 1.90   -0.08  -0.26  -0.23  
1 1 1 34 17 16 o 4.9275  0.7640 4.4475  -151.4000 -0.11  -0.31  0.00   -0.00  
1 1 1 34 17 17 o 5.4131  0.3700 5.2221  11.900    -0.10  -0.11  -0.01  0.01   
1 1 1 34 17 18 o 11.759  0.3336 12.461  112.400   -1.94  1.76   -0.47  0.13   
1 1 1 34 17 19 o 11.610  0.2567 10.493  -85.5000  -0.87  -0.22  0.05   0.09   
1 1 1 34 17 20 o 5.7335  0.4398 5.5607  -141.3000 -0.97  -0.31  0.14   -0.07  
1 1 1 34 17 21 o 4.7392  0.6135 ?       ?         0.75   0.16   0.03   -0.03  
1 1 1 34 17 22 o 5.3427  0.6565 ?       ?         0.06   -0.58  -0.01  0.00   
1 1 1 34 17 23 o 5.9696  0.6475 ?       ?         0.34   -0.36  -0.00  -0.01  
1 1 1 34 17 24 f 2.3099  1.2591 ?       ?         -0.25  -0.14  0.00   0.00   
1 1 1 34 18 0  o 16.383  0.1990 13.357  0.0000    0.25   0.00   0.00   0.00   
1 1 1 34 18 1  o 11.991  0.2171 8.7228  -105.9000 -3.08  -0.09  -1.37  0.24   
1 1 1 34 18 2  o 8.2130  0.1506 5.1921  -150.9000 0.35   0.93   1.80   -0.13  
1 1 1 34 18 3  o 11.614  0.4206 13.676  13.000    11.98  -0.89  -3.81  0.94   
1 1 1 34 18 4  o 6.9728  0.1522 3.3759  134.800   -0.35  -0.17  1.31   -1.29  
1 1 1 34 18 5  o 19.685  0.2759 22.858  -124.1000 1.14   -4.89  1.16   1.00   
1 1 1 34 18 6  o 16.394  0.1281 22.692  176.700   -1.01  -0.68  3.15   -1.67  
1 1 1 34 18 7  o 4.7060  0.2540 5.2337  140.600   -0.31  2.02   0.89   0.07   
1 1 1 34 18 8  o 5.3062  0.2431 4.0404  -136.2000 0.78   -0.20  -0.14  0.14   
1 1 1 34 18 9  o 13.134  0.1448 15.240  166.800   -0.52  -0.05  0.37   0.60   
1 1 1 34 18 10 o 10.571  0.3378 11.654  -39.5000  0.02   -0.95  0.06   -0.02  
1 1 1 34 18 11 o 6.0406  0.4386 7.9363  -95.1000  3.72   0.05   -0.88  -0.27  
1 1 1 34 18 12 o 14.731  0.3322 11.840  110.200   2.61   3.00   0.65   -0.83  
1 1 1 34 18 13 o 18.073  0.1567 18.034  -52.8000  0.34   -0.40  -0.07  -0.18  
1 1 1 34 18 14 o 17.213  0.1615 18.100  24.900    0.06   -0.33  -0.01  0.03   
1 1 1 34 18 15 o 10.479  0.2036 10.648  83.000    0.50   0.29   0.17   -0.01  
1 1 1 34 18 16 o 1.3261  0.8047 1.8726  24.700    0.03   0.08   -0.00  -0.01  
1 1 1 34 18 17 o 3.3499  0.5764 3.6104  -161.8000 0.36   0.02   -0.02  0.01   
1 1 1 34 18 18 f 7.2699  0.3051 5.9698  -25.1000  -0.70  -0.55  -0.13  0.03   
1 1 1 34 18 19 o 3.3906  1.0406 2.5307  -6.1000   -0.05  0.45   0.01   0.02   
1 1 1 34 18 20 o 7.8077  0.3721 ?       ?         -1.29  -0.07  0.18   -0.12  
1 1 1 34 18 21 o 4.2152  0.7019 ?       ?         -0.12  0.25   -0.00  -0.00  
1 1 1 34 18 22 o 13.267  0.7428 ?       ?         -1.13  1.78   -0.06  0.00   
1 1 1 34 18 23 o 4.3492  0.7661 ?       ?         -0.37  0.10   0.00   -0.00  
1 1 1 34 18 24 o 5.3497  0.8572 ?       ?         0.07   -0.55  -0.00  -0.00  
1 1 1 34 19 0  o 3.4496  0.4001 6.7972  -179.8000 -0.00  0.00   0.00   0.00   
1 1 1 34 19 1  o 16.160  0.2305 15.852  -10.2000  2.60   -2.32  0.24   1.32   
1 1 1 34 19 2  o 12.079  0.6722 12.169  -54.3000  11.66  -5.07  -1.40  1.77   
1 1 1 34 19 3  o 6.0477  0.1855 7.5119  -78.0000  -2.79  -5.00  2.53   -6.15  
1 1 1 34 19 4  o 28.730  0.1492 29.846  90.200    -1.94  2.19   -5.17  1.37   
1 1 1 34 19 5  o 9.0330  0.1486 8.9117  -6.6000   0.26   -1.04  0.66   0.05   
1 1 1 34 19 6  o 12.385  0.3382 8.5099  143.700   -2.85  5.31   1.36   1.35   
1 1 1 34 19 7  o 6.0723  0.2093 2.5647  -26.9000  0.76   0.50   -0.13  -0.16  
1 1 1 34 19 8  o 6.3184  0.2120 5.8580  77.800    -0.89  0.24   -0.36  0.04   
1 1 1 34 19 9  o 18.505  0.3347 17.981  -103.0000 2.13   -2.62  -0.07  0.52   
1 1 1 34 19 10 o 20.462  0.1429 19.238  -92.6000  -0.17  -0.53  -0.12  -0.11  
1 1 1 34 19 11 o 5.0230  0.6165 4.6554  92.700    -0.72  1.76   0.12   0.08   
1 1 1 34 19 12 o 5.5386  0.4630 6.4564  12.900    0.23   0.71   0.04   -0.01  
1 1 1 34 19 13 o 5.7795  0.2856 4.9926  -9.0000   -0.03  -0.46  0.04   -0.03  
1 1 1 34 19 14 o 8.8245  0.5509 9.2257  -84.1000  0.04   -0.63  0.01   -0.00  
1 1 1 34 19 15 o 6.7110  0.2829 6.3264  -57.8000  0.04   -0.02  -0.00  -0.00  
1 1 1 34 19 16 o 9.7808  0.2197 10.493  -120.7000 -0.19  -1.69  -0.92  1.14   
1 1 1 34 19 17 o 5.1585  0.3598 4.0761  -93.2000  -0.13  0.16   -0.02  -0.01  
1 1 1 34 19 18 o 6.4161  0.3245 7.7024  -86.9000  -0.92  0.01   -0.02  -0.13  
1 1 1 34 19 19 o 1.7402  0.8402 2.7204  150.600   -0.07  0.08   0.00   -0.00  
1 1 1 34 19 20 o 4.8856  0.4769 ?       ?         0.08   0.16   0.00   0.00   
1 1 1 34 19 21 o 8.6699  0.4382 ?       ?         0.27   -1.06  -0.02  -0.04  
1 1 1 34 19 22 o 4.2358  1.2699 ?       ?         0.44   -0.54  -0.03  0.00   
1 1 1 34 19 23 o 6.8465  0.6274 ?       ?         -0.11  -0.75  -0.00  0.01   
1 1 1 34 20 0  o 19.021  0.1977 17.305  179.900   -0.37  0.00   0.00   0.00   
1 1 1 34 20 1  o 7.1177  0.1735 7.9337  -91.5000  0.12   -0.13  0.03   0.04   
1 1 1 34 20 2  o 6.0525  0.1910 4.8331  66.200    -0.54  0.04   -1.23  -1.70  
1 1 1 34 20 3  o 14.605  0.1399 13.938  -22.1000  -0.44  -1.16  0.18   -0.64  
1 1 1 34 20 4  o 19.929  0.1328 22.125  -159.9000 -0.20  -1.37  0.56   0.19   
1 1 1 34 20 5  o 16.284  0.1885 18.549  27.400    1.77   -0.78  -0.16  0.56   
1 1 1 34 20 6  o 12.533  0.1744 17.215  -168.7000 0.01   0.37   0.02   0.01   
1 1 1 34 20 7  o 16.765  0.1285 16.169  -65.1000  -0.09  -1.14  -0.00  -1.36  
1 1 1 34 20 8  o 3.7892  0.3825 4.9094  -55.4000  -0.47  -1.95  0.35   -0.28  
1 1 1 34 20 9  o 14.546  0.1583 13.588  -66.0000  0.25   -0.24  0.01   -0.19  
1 1 1 34 20 10 o 12.472  0.1891 12.633  -168.0000 -1.13  -0.51  -0.28  -0.03  
1 1 1 34 20 11 o 15.560  0.2787 16.044  178.800   -1.19  -1.73  0.28   -0.20  
1 1 1 34 20 12 o 10.887  0.4432 10.134  109.000   -2.56  4.46   0.20   1.05   
1 1 1 34 20 13 f 6.2182  0.2617 5.9383  -165.1000 0.11   -0.16  -0.06  -0.05  
1 1 1 34 20 14 o 13.221  0.2233 12.597  -98.9000  -1.31  -0.85  0.23   -0.27  
1 1 1 34 20 15 o 7.6018  0.2528 7.0019  -127.1000 -0.29  -0.70  0.09   0.02   
1 1 1 34 20 16 o 2.0637  0.6947 3.2078  -170.6000 -0.06  -0.33  0.04   0.04   
1 1 1 34 20 17 o 8.9921  0.2616 9.6006  50.700    -0.12  -0.07  0.00   0.01   
1 1 1 34 20 18 o 1.1033  0.8986 2.6621  -24.1000  0.07   0.16   0.01   0.02   
1 1 1 34 20 19 o 2.6252  0.7394 3.4823  32.200    0.13   0.37   -0.00  0.05   
1 1 1 34 20 20 o 6.0455  0.4661 ?       ?         -0.60  0.35   0.04   -0.02  
1 1 1 34 20 21 o 6.6878  0.5449 ?       ?         -0.51  1.08   -0.04  -0.05  
1 1 1 34 20 22 o 3.8908  0.8097 ?       ?         0.28   -0.09  0.00   -0.00  
1 1 1 34 20 23 o 4.1314  0.7854 ?       ?         0.48   0.23   0.01   0.00   
1 1 1 34 21 0  o 12.247  0.1889 12.056  -180.0000 -0.05  0.00   0.00   0.00   
1 1 1 34 21 1  o 7.7321  0.2140 7.3909  -43.4000  1.29   1.75   0.08   -0.60  
1 1 1 34 21 2  o 17.131  0.2935 14.344  -23.2000  1.38   -0.98  -0.02  0.16   
1 1 1 34 21 3  o 10.725  0.1455 5.7763  63.300    0.43   0.08   -0.10  -0.38  
1 1 1 34 21 4  o 19.961  0.4140 17.473  -3.9000   4.87   0.27   -0.90  0.17   
1 1 1 34 21 5  o 4.6146  0.4276 2.5045  47.000    -0.85  -1.18  0.03   -0.13  
1 1 1 34 21 6  o 9.5283  0.1439 8.4297  25.700    0.00   -0.34  0.09   0.13   
1 1 1 34 21 7  o 20.106  0.1343 20.180  21.700    1.82   -0.09  -0.55  0.81   
1 1 1 34 21 8  o 8.4381  0.1636 8.6568  20.700    0.11   0.11   0.01   -0.02  
1 1 1 34 21 9  o 17.758  0.1361 18.474  -17.2000  0.92   -1.16  1.03   -0.03  
1 1 1 34 21 10 o 8.5443  0.1972 7.8084  -71.1000  0.31   0.46   0.32   0.37   
1 1 1 34 21 11 o 6.8178  0.2364 7.9982  -130.2000 0.57   -0.30  -0.13  0.04   
1 1 1 34 21 12 o 12.170  0.1714 11.290  -174.0000 -0.92  -0.53  0.98   1.08   
1 1 1 34 21 13 o 25.211  0.2780 24.061  -96.4000  2.06   -2.42  -0.53  0.41   
1 1 1 34 21 14 f 15.928  0.1774 15.732  -39.8000  -0.64  0.06   0.03   0.07   
1 1 1 34 21 15 o 9.7531  0.2958 9.1162  162.800   -0.74  -1.10  0.18   -0.04  
1 1 1 34 21 16 o 11.241  0.2121 11.872  -5.5000   0.55   -0.70  0.12   -0.13  
1 1 1 34 21 17 o 8.1284  0.2627 6.7577  86.800    0.07   -0.01  0.00   0.00   
1 1 1 34 21 18 o 3.2859  0.5689 3.9769  -15.6000  0.54   -0.55  -0.15  -0.03  
1 1 1 34 21 19 o 11.566  0.2616 11.430  83.400    -0.03  1.39   -0.16  0.10   
1 1 1 34 21 20 o 9.9116  0.3382 ?       ?         0.34   -0.29  -0.00  -0.01  
1 1 1 34 21 21 o 4.0177  1.1295 ?       ?         0.11   0.55   -0.01  -0.02  
1 1 1 34 21 22 o 7.6528  0.5157 ?       ?         -0.54  0.94   -0.02  -0.02  
1 1 1 34 21 23 o 7.6456  0.7285 ?       ?         1.24   1.76   0.04   0.03   
1 1 1 34 22 0  o 20.100  0.2068 12.285  -0.1000   0.18   0.00   0.00   0.00   
1 1 1 34 22 1  o 13.427  0.1702 14.085  152.300   -0.77  -2.00  0.63   -0.30  
1 1 1 34 22 2  o 6.5034  0.7634 3.2575  -102.1000 8.86   -10.71 0.30   2.07   
1 1 1 34 22 3  o 15.774  0.1402 16.233  -61.3000  -0.18  -0.30  -0.07  -0.08  
1 1 1 34 22 4  f 4.8784  0.2953 2.4490  -167.1000 -3.43  0.31   -1.21  0.41   
1 1 1 34 22 5  o 7.6326  0.2073 4.3349  -74.3000  0.57   -0.12  -0.05  0.01   
1 1 1 34 22 6  o 24.720  0.3702 25.621  -120.5000 -1.63  -2.34  -0.03  -0.35  
1 1 1 34 22 7  o 12.706  0.3151 14.136  -50.8000  1.11   -5.87  1.78   0.20   
1 1 1 34 22 8  o 14.118  0.1361 14.101  -134.8000 0.33   0.08   0.18   -0.03  
1 1 1 34 22 9  o 8.5466  0.3139 6.7264  114.800   -1.50  2.85   0.19   0.84   
1 1 1 34 22 10 o 8.5757  0.3094 8.1752  177.000   -0.62  -0.54  -0.03  -0.05  
1 1 1 34 22 11 o 13.556  0.1543 12.832  -150.7000 0.27   -1.19  0.04   0.33   
1 1 1 34 22 12 o 18.578  0.4418 18.857  151.700   -5.14  -0.86  -0.61  -0.67  
1 1 1 34 22 13 o 10.893  0.5584 13.574  -127.6000 1.52   -4.01  0.23   0.57   
1 1 1 34 22 14 o 2.4069  0.5708 1.0009  84.300    0.01   0.22   -0.03  0.06   
1 1 1 34 22 15 o 5.6638  0.3206 5.8689  -29.8000  -0.12  0.31   -0.03  0.03   
1 1 1 34 22 16 o 7.9121  0.2598 9.3953  -121.0000 -0.20  -0.96  -0.10  -0.21  
1 1 1 34 22 17 o 7.3505  0.2915 6.6733  158.500   -0.10  -0.28  0.01   0.01   
1 1 1 34 22 18 o 6.5308  0.4380 6.1608  80.800    -0.32  0.21   0.01   0.01   
1 1 1 34 22 19 o 4.9600  0.4941 4.8496  -134.7000 -0.13  -0.03  0.00   -0.00  
1 1 1 34 22 20 o 3.6387  0.7775 ?       ?         -0.16  0.07   0.00   -0.00  
1 1 1 34 22 21 o 7.0935  0.5367 ?       ?         1.19   -0.70  0.04   -0.01  
1 1 1 34 22 22 o 3.7898  0.8933 ?       ?         -0.27  -0.10  0.00   0.00   
1 1 1 34 22 23 o 5.0102  0.7563 ?       ?         0.44   -0.58  -0.01  -0.00  
1 1 1 34 23 0  o 3.3764  0.6785 0.6738  1.4000    -0.01  0.00   0.00   0.00   
1 1 1 34 23 1  o 11.009  0.8042 9.5684  -146.0000 -6.83  -9.24  0.73   -1.66  
1 1 1 34 23 2  o 10.923  0.6494 9.8117  98.200    6.11   1.89   -0.53  -0.29  
1 1 1 34 23 3  f 18.115  0.1485 17.211  -166.5000 -0.84  0.85   1.21   -2.37  
1 1 1 34 23 4  o 25.223  0.6296 24.711  -132.5000 -13.52 -3.94  -3.16  -0.92  
1 1 1 34 23 5  o 3.8710  0.3441 3.4700  -8.0000   2.19   0.62   -0.37  -0.30  
1 1 1 34 23 6  o 9.2777  0.6019 7.8134  7.6000    8.20   -3.93  -0.62  0.95   
1 1 1 34 23 7  o 14.802  0.4605 16.908  -168.5000 -10.58 2.18   -2.10  1.45   
1 1 1 34 23 8  o 3.4175  0.3191 2.0852  -137.7000 -0.18  0.05   -0.01  0.02   
1 1 1 34 23 9  o 13.598  0.1808 13.208  -165.3000 -1.38  0.45   -0.03  0.40   
1 1 1 34 23 10 o 8.1657  0.3931 8.7863  -120.0000 -3.47  1.88   -0.23  0.82   
1 1 1 34 23 11 f 14.739  0.3105 13.693  -66.8000  0.28   -1.50  0.09   0.12   
1 1 1 34 23 12 o 9.0433  0.2034 6.6566  1.6000    -0.36  0.07   -0.04  -0.06  
1 1 1 34 23 13 o 5.3327  0.3148 6.0303  -5.9000   0.33   0.13   0.16   0.01   
1 1 1 34 23 14 o 5.8281  0.3152 5.5076  40.000    0.10   0.18   -0.03  -0.00  
1 1 1 34 23 15 o 10.141  0.2534 9.7543  44.100    0.54   0.56   -0.06  -0.03  
1 1 1 34 23 16 o 8.7036  0.2436 8.4943  -82.5000  0.03   0.68   0.01   0.08   
1 1 1 34 23 17 f 7.0374  0.3353 8.7623  174.700   0.50   -0.60  -0.11  -0.06  
1 1 1 34 23 18 o 3.8583  0.5844 3.3921  151.100   -0.25  -0.58  -0.05  -0.03  
1 1 1 34 23 19 o 4.6174  0.5935 ?       ?         0.18   0.42   -0.01  0.01   
1 1 1 34 23 20 o 3.1627  0.9941 ?       ?         0.08   -0.02  0.00   0.00   
1 1 1 34 23 21 o 6.5479  0.5601 ?       ?         -0.32  -0.37  0.00   0.01   
1 1 1 34 23 22 o 5.0914  0.6917 ?       ?         -0.00  -0.18  -0.00  -0.00  
1 1 1 34 23 23 o 4.4815  1.2143 ?       ?         -0.04  0.15   -0.00  0.00   
1 1 1 34 24 0  o 11.662  0.3697 10.824  0.2000    0.06   0.00   0.00   0.00   
1 1 1 34 24 1  f 13.482  0.4871 15.943  164.900   -0.67  -0.95  0.00   -0.07  
1 1 1 34 24 2  f 36.863  0.2905 34.510  91.900    1.25   -0.73  -0.17  -0.06  
1 1 1 34 24 3  o 14.400  0.2089 15.929  -88.3000  -0.46  -0.06  0.12   0.23   
1 1 1 34 24 4  o 17.466  0.3013 17.992  74.300    2.40   -2.40  0.25   0.67   
1 1 1 34 24 5  o 26.294  0.1488 24.051  -170.7000 -1.52  -2.23  2.11   1.07   
1 1 1 34 24 6  o 15.195  0.1358 15.287  16.000    0.12   1.69   0.47   -0.54  
1 1 1 34 24 7  o 12.637  0.3095 9.6265  126.100   -2.30  3.24   -0.00  0.91   
1 1 1 34 24 8  o 12.191  0.3296 13.548  109.600   -0.82  2.64   0.46   0.08   
1 1 1 34 24 9  o 9.4451  0.2329 7.7097  102.900   0.73   1.47   0.29   -0.14  
1 1 1 34 24 10 f 12.193  0.1736 11.247  170.600   1.07   -0.21  1.17   -0.27  
1 1 1 34 24 11 o 13.308  0.1623 14.719  60.900    1.11   0.60   -0.52  0.11   
1 1 1 34 24 12 o 24.625  0.2777 23.698  -167.6000 -2.64  -6.84  3.24   1.20   
1 1 1 34 24 13 o 10.313  0.2373 10.678  -114.8000 1.09   0.18   -0.13  0.08   
1 1 1 34 24 14 o 8.5738  0.2334 9.0828  -105.4000 -0.21  0.03   -0.01  -0.00  
1 1 1 34 24 15 o 3.4198  0.4908 2.5619  -43.5000  -0.23  -0.22  -0.03  -0.01  
1 1 1 34 24 16 o 9.6523  0.2414 10.125  32.700    -0.30  0.76   -0.14  -0.00  
1 1 1 34 24 17 o 8.9414  0.2632 11.170  116.400   -0.16  0.59   -0.07  -0.04  
1 1 1 34 24 18 o 5.4037  0.4122 6.2209  135.100   -0.48  0.24   0.03   -0.05  
1 1 1 34 24 19 o 3.2724  0.7543 ?       ?         0.31   -0.28  -0.02  -0.01  
1 1 1 34 24 20 o 12.470  0.3416 ?       ?         4.07   0.04   0.34   -0.14  
1 1 1 34 24 21 o 7.2082  0.4836 ?       ?         1.00   -1.23  -0.05  -0.06  
1 1 1 34 24 22 o 10.083  0.4332 ?       ?         -1.51  0.00   0.02   0.01   
1 1 1 34 25 0  o 26.638  0.3025 22.044  -0.0000   0.14   0.00   0.00   0.00   
1 1 1 34 25 1  o 13.596  0.3184 13.353  -14.3000  -0.78  -2.41  0.28   -0.53  
1 1 1 34 25 2  o 6.7986  0.3473 7.5892  125.700   0.27   0.42   -0.02  -0.09  
1 1 1 34 25 3  o 21.371  1.5033 19.274  -86.4000  0.00   0.00   0.00   0.00   
1 1 1 34 25 4  o 19.541  0.1401 19.416  -110.6000 -0.61  -0.32  -0.20  0.30   
1 1 1 34 25 5  o 10.463  0.1740 9.0728  175.100   -1.08  0.80   1.80   1.00   
1 1 1 34 25 6  o 6.3485  0.1692 1.9650  105.900   -0.15  1.51   0.48   0.35   
1 1 1 34 25 7  o 11.114  0.1828 9.4747  98.100    -0.97  0.63   -0.21  0.11   
1 1 1 34 25 8  o 10.234  0.1510 9.2167  37.900    -0.55  -0.31  0.11   0.67   
1 1 1 34 25 9  o 8.6273  0.1740 8.2664  125.500   -0.56  -0.29  0.06   -0.18  
1 1 1 34 25 10 o 15.371  0.1874 15.277  139.500   -0.28  1.85   0.41   -0.30  
1 1 1 34 25 11 o 10.767  0.3165 9.9402  97.600    -2.29  3.43   -0.11  1.12   
1 1 1 34 25 12 o 9.3033  0.5132 8.5322  38.700    1.54   3.71   0.54   -0.21  
1 1 1 34 25 13 o 4.0853  0.3753 4.7956  117.800   0.05   0.16   -0.03  0.01   
1 1 1 34 25 14 o 7.4951  0.3514 9.2168  126.900   0.06   -0.88  0.04   0.05   
1 1 1 34 25 15 o 5.7240  0.3375 6.7420  53.400    0.68   0.57   0.12   -0.06  
1 1 1 34 25 16 o 8.7924  0.2522 8.2208  70.700    0.67   1.60   -0.54  -0.17  
1 1 1 34 25 17 o 4.5280  0.6082 3.3252  -88.9000  -0.12  -0.35  -0.00  -0.01  
1 1 1 34 25 18 o 7.5305  0.3548 6.8183  9.3000    0.13   0.18   -0.00  0.00   
1 1 1 34 25 19 o 7.3790  0.4583 ?       ?         -0.27  -0.62  -0.01  0.02   
1 1 1 34 25 20 o 2.1142  1.0524 ?       ?         -0.24  -0.21  0.01   0.01   
1 1 1 34 25 21 o 6.6480  0.5505 ?       ?         1.60   -0.59  0.08   -0.00  
1 1 1 34 25 22 o 0.8062  1.1479 ?       ?         0.10   -0.10  0.00   -0.00  
1 1 1 34 26 0  o 13.968  0.2944 15.266  -0.0000   0.46   0.00   0.00   0.00   
1 1 1 34 26 1  o 2.9297  0.6057 2.8724  -89.5000  0.66   -0.18  -0.11  0.01   
1 1 1 34 26 2  o 9.0091  0.2847 7.9912  88.700    1.04   1.35   0.34   -0.30  
1 1 1 34 26 3  f 9.5671  0.2940 8.5153  51.000    1.02   0.28   -0.28  0.08   
1 1 1 34 26 4  o 3.8029  0.9448 2.8041  -79.0000  1.93   -0.80  -0.07  0.09   
1 1 1 34 26 5  o 15.042  0.6303 15.428  -173.7000 -9.14  4.90   -0.57  1.46   
1 1 1 34 26 6  o 6.7859  0.1655 3.6854  33.900    -0.41  1.17   0.68   -0.06  
1 1 1 34 26 7  o 3.9434  0.2337 6.5303  176.200   -0.34  0.17   0.33   -0.91  
1 1 1 34 26 8  o 7.6961  0.2471 7.5295  179.300   -2.23  -1.62  0.07   -0.83  
1 1 1 34 26 9  o 5.5876  0.2287 6.0815  -49.8000  0.49   0.40   -0.34  -0.09  
1 1 1 34 26 10 o 11.980  0.1610 11.624  -55.7000  0.36   -0.01  -0.02  0.03   
1 1 1 34 26 11 o 16.665  0.1553 15.687  75.500    1.06   1.31   0.50   -0.06  
1 1 1 34 26 12 o 15.293  0.1632 16.488  -101.8000 -2.01  -0.87  -0.45  0.95   
1 1 1 34 26 13 o 6.1352  0.2932 4.6908  -142.7000 0.22   0.64   -0.10  0.30   
1 1 1 34 26 14 o 2.3875  0.5881 2.2837  -137.1000 0.03   -0.10  -0.01  -0.01  
1 1 1 34 26 15 o 10.167  0.2219 8.8475  42.900    0.17   -0.33  0.01   -0.03  
1 1 1 34 26 16 o 5.9894  0.3542 4.6467  75.300    0.71   -0.27  0.10   -0.12  
1 1 1 34 26 17 o 6.4860  0.3786 5.8162  1.9000    1.28   -0.23  0.14   -0.19  
1 1 1 34 26 18 o 6.9796  0.3841 ?       ?         -0.47  0.02   0.01   -0.01  
1 1 1 34 26 19 o 8.1682  0.5132 ?       ?         1.65   -1.32  0.11   -0.05  
1 1 1 34 26 20 o 6.1514  0.5686 ?       ?         -0.30  -0.56  0.00   0.01   
1 1 1 34 26 21 o 4.0570  0.7752 ?       ?         -0.33  -0.04  0.00   0.00   
1 1 1 34 26 22 o 3.8095  1.7411 ?       ?         -0.19  0.20   0.00   -0.00  
1 1 1 34 27 0  o 9.0885  0.3951 11.631  179.900   -0.29  0.00   0.00   0.00   
1 1 1 34 27 1  o 11.818  0.3988 11.423  -62.1000  0.12   -5.86  1.75   -0.61  
1 1 1 34 27 2  o 19.366  0.2051 19.433  145.000   -0.24  0.45   -0.07  0.05   
1 1 1 34 27 3  o 10.688  0.2633 6.3881  -11.4000  2.34   0.08   -0.50  -2.23  
1 1 1 34 27 4  o 5.3870  0.2072 6.3200  64.400    -0.02  -0.19  -0.03  0.09   
1 1 1 34 27 5  o 5.4298  0.9702 3.3942  -32.0000  0.53   0.15   -0.01  -0.01  
1 1 1 34 27 6  f 7.4400  0.2354 7.1140  -89.6000  0.31   -1.02  0.08   0.11   
1 1 1 34 27 7  o 2.0166  0.3739 3.3544  118.000   0.29   0.58   0.04   -0.16  
1 1 1 34 27 8  o 13.579  0.1337 12.907  133.600   0.33   1.44   0.49   0.68   
1 1 1 34 27 9  o 9.7972  0.1996 9.7547  165.700   -0.01  1.59   0.30   -0.20  
1 1 1 34 27 10 o 11.060  0.1880 10.559  99.900    0.60   0.47   0.12   -0.09  
1 1 1 34 27 11 o 8.7196  0.3418 8.9792  86.500    -2.32  -0.00  -0.34  -0.24  
1 1 1 34 27 12 o 5.0716  0.3049 6.9929  -26.6000  -0.32  0.04   0.04   0.06   
1 1 1 34 27 13 o 10.432  0.2416 9.0349  27.900    1.71   0.83   -0.35  0.03   
1 1 1 34 27 14 o 4.0983  0.4428 4.2132  -44.8000  0.28   -0.15  0.04   -0.01  
1 1 1 34 27 15 o 9.4910  0.2399 9.3289  -20.9000  0.89   0.42   0.07   -0.07  
1 1 1 34 27 16 o 5.7686  0.4750 5.3091  71.100    0.36   0.33   0.01   -0.01  
1 1 1 34 27 17 o 4.5870  0.5031 4.0046  78.800    0.41   0.13   0.02   0.01   
1 1 1 34 27 18 o 7.8270  0.9429 ?       ?         -2.00  -0.49  0.01   -0.09  
1 1 1 34 27 19 o 4.8378  0.6417 ?       ?         -0.20  -0.84  -0.02  0.01   
1 1 1 34 27 20 o 2.5604  0.9160 ?       ?         -0.28  0.14   0.00   -0.01  
1 1 1 34 27 21 o 7.6075  0.5036 ?       ?         1.94   -1.57  -0.02  -0.06  
1 1 1 34 27 22 o 6.0396  0.6318 ?       ?         -0.37  -1.59  0.01   0.02   
1 1 1 34 28 0  o 24.046  0.3160 25.079  -180.0000 -1.07  0.00   0.00   0.00   
1 1 1 34 28 1  o 10.168  0.2740 9.2664  -40.2000  0.33   0.05   -0.01  -0.04  
1 1 1 34 28 2  o 6.4889  0.3381 9.0115  29.000    -0.73  0.06   -0.10  -0.05  
1 1 1 34 28 3  o 8.2774  0.2985 7.8242  -112.7000 -0.01  -0.24  -0.01  -0.05  
1 1 1 34 28 4  o 16.446  0.3429 15.980  106.300   0.49   1.43   0.01   -0.16  
1 1 1 34 28 5  o 27.862  0.2292 23.943  51.800    1.04   0.77   -0.12  0.11   
1 1 1 34 28 6  o 17.287  0.4113 16.128  -113.2000 -1.20  -3.95  0.27   -0.45  
1 1 1 34 28 7  o 10.768  0.1226 9.6578  -138.2000 -0.43  -0.06  0.25   -0.09  
1 1 1 34 28 8  o 7.9410  0.4986 6.0594  156.600   2.48   2.70   0.12   -0.36  
1 1 1 34 28 9  o 14.245  0.5492 12.906  -96.3000  5.86   -12.70 1.37   2.92   
1 1 1 34 28 10 f 11.091  0.1736 10.034  -137.1000 -0.38  -0.34  0.14   0.19   
1 1 1 34 28 11 o 2.7758  0.4566 0.5151  -167.8000 0.32   0.22   0.02   -0.04  
1 1 1 34 28 12 o 3.9692  0.3880 4.1905  -134.6000 0.29   -0.08  0.04   -0.07  
1 1 1 34 28 13 o 5.4840  0.3036 5.4367  -172.8000 0.18   0.20   0.03   0.02   
1 1 1 34 28 14 f 6.5908  0.2854 6.7381  -24.5000  -0.09  -0.39  0.01   0.03   
1 1 1 34 28 15 o 15.942  0.2181 15.523  -99.0000  0.21   -1.76  -0.01  -0.20  
1 1 1 34 28 16 o 6.7831  0.4105 5.9901  0.8000    0.29   -1.14  -0.04  0.09   
1 1 1 34 28 17 o 4.9062  1.1762 6.4106  113.200   -0.83  1.40   -0.01  0.08   
1 1 1 34 28 18 o 0.0000  2.1035 ?       ?         -0.05  0.25   -0.01  0.01   
1 1 1 34 28 19 o 4.6704  0.6253 ?       ?         0.31   -0.31  0.00   -0.01  
1 1 1 34 28 20 o 5.2163  0.8491 ?       ?         -0.57  -0.73  0.02   0.01   
1 1 1 34 28 21 o 2.2192  1.1433 ?       ?         -0.22  0.28   0.00   -0.00  
1 1 1 34 29 0  o 19.700  0.3270 17.142  180.000   -0.59  0.00   0.00   0.00   
1 1 1 34 29 1  o 4.1882  0.5534 6.5781  -18.9000  -0.32  -0.33  -0.08  -0.02  
1 1 1 34 29 2  o 10.845  0.2257 12.478  175.000   -0.30  0.08   0.05   0.03   
1 1 1 34 29 3  o 12.806  0.3866 10.947  -169.8000 -0.35  2.23   0.18   0.26   
1 1 1 34 29 4  o 12.890  0.2464 12.591  168.700   -2.35  0.77   -0.78  -0.29  
1 1 1 34 29 5  o 6.3550  0.8641 2.5854  41.700    -0.87  1.40   0.01   0.07   
1 1 1 34 29 6  o 15.530  0.1551 14.390  34.500    1.37   -1.84  -0.72  0.62   
1 1 1 34 29 7  o 8.8530  0.1399 10.304  99.700    0.60   0.31   -0.11  -0.02  
1 1 1 34 29 8  o 12.256  0.1621 11.753  129.400   -1.44  1.96   -0.42  0.88   
1 1 1 34 29 9  o 13.997  0.1471 13.402  -158.2000 0.30   0.41   0.08   0.12   
1 1 1 34 29 10 o 9.5603  0.1772 9.3707  175.000   -0.05  0.49   -0.18  -0.03  
1 1 1 34 29 11 o 4.5590  0.3182 6.2029  -128.4000 -0.60  0.35   0.07   0.12   
1 1 1 34 29 12 o 10.278  0.1866 11.698  -167.0000 -1.30  -0.26  0.08   0.57   
1 1 1 34 29 13 o 10.706  0.1954 11.102  -46.6000  0.62   -0.29  0.04   -0.11  
1 1 1 34 29 14 o 10.085  0.2696 10.053  -154.6000 -2.06  -0.95  0.20   -0.38  
1 1 1 34 29 15 o 16.350  0.4259 15.186  -147.9000 -0.09  2.70   0.05   -0.22  
1 1 1 34 29 16 o 3.4698  1.0385 2.0822  34.400    0.78   -0.12  -0.04  -0.03  
1 1 1 34 29 17 o 4.2538  0.4929 ?       ?         -0.28  -0.54  0.02   0.02   
1 1 1 34 29 18 o 4.5972  0.7226 ?       ?         0.19   -0.31  0.01   -0.00  
1 1 1 34 29 19 o 4.0964  0.7373 ?       ?         0.10   -0.07  0.00   -0.00  
1 1 1 34 29 20 o 5.3190  2.3492 ?       ?         -0.23  -0.21  -0.00  -0.00  
1 1 1 34 29 21 o 4.4729  0.7443 ?       ?         -0.69  0.29   0.00   -0.01  
1 1 1 34 30 0  o 6.9065  0.5235 7.1905  180.000   0.06   0.00   0.00   0.00   
1 1 1 34 30 1  o 10.326  0.2654 11.551  168.200   -1.35  0.48   -0.46  -0.66  
1 1 1 34 30 2  o 12.224  0.2511 10.562  -71.6000  0.22   -0.42  -0.05  0.04   
1 1 1 34 30 3  o 11.527  0.3176 12.253  -30.7000  1.45   -0.83  -0.22  0.08   
1 1 1 34 30 4  o 10.922  0.3611 10.537  -107.4000 2.46   -2.76  -0.72  0.93   
1 1 1 34 30 5  o 16.284  0.4418 13.189  172.100   -3.66  2.15   -0.69  0.25   
1 1 1 34 30 6  o 13.537  0.3599 14.177  177.300   0.63   -1.53  0.03   0.12   
1 1 1 34 30 7  o 9.7652  0.1631 10.033  165.900   -1.89  -0.02  -0.52  0.40   
1 1 1 34 30 8  o 11.242  0.1502 9.4395  143.700   0.25   0.66   0.09   0.01   
1 1 1 34 30 9  o 4.8730  0.5739 6.5446  48.800    1.60   2.05   0.15   -0.24  
1 1 1 34 30 10 o 6.6951  0.2158 6.9734  141.800   0.27   -0.03  0.02   -0.06  
1 1 1 34 30 11 f 10.709  0.2748 11.432  33.700    1.89   -0.83  -0.35  -0.04  
1 1 1 34 30 12 o 8.5556  0.3874 7.7897  126.600   -2.35  2.15   -0.33  0.37   
1 1 1 34 30 13 o 9.8585  0.3374 10.372  134.100   -0.95  -2.61  0.42   0.10   
1 1 1 34 30 14 o 2.5120  1.1446 1.1544  6.5000    -0.11  0.12   -0.00  0.00   
1 1 1 34 30 15 o 2.3538  0.7061 1.2288  36.000    -0.04  0.11   0.00   -0.00  
1 1 1 34 30 16 o 0.0000  1.7387 ?       ?         -0.26  -0.07  0.03   0.03   
1 1 1 34 30 17 o 4.8058  0.5880 ?       ?         0.15   -0.03  0.00   -0.00  
1 1 1 34 30 18 o 4.6247  0.9263 ?       ?         0.32   -0.78  -0.02  0.01   
1 1 1 34 30 19 f 6.1417  0.5356 ?       ?         -0.02  1.22   -0.03  -0.00  
1 1 1 34 30 20 o 5.5728  0.6129 ?       ?         -0.25  0.93   -0.02  -0.00  
1 1 1 34 30 21 o 2.7529  1.3142 ?       ?         0.42   0.48   -0.01  0.01   
1 1 1 34 31 0  o 1.0488  1.0022 1.5763  180.000   0.06   0.00   0.00   0.00   
1 1 1 34 31 1  o 8.9312  0.2876 8.6951  90.600    0.13   0.77   -0.10  -0.24  
1 1 1 34 31 2  o 9.2966  0.2954 10.016  56.300    0.44   0.56   -0.13  0.33   
1 1 1 34 31 3  o 3.1334  0.5829 1.3915  -36.7000  0.02   0.34   -0.17  0.05   
1 1 1 34 31 4  o 2.8766  1.3391 2.4263  78.200    -0.15  -0.13  -0.00  -0.00  
1 1 1 34 31 5  o 4.2183  0.5473 2.8896  115.500   0.40   0.20   0.00   -0.03  
1 1 1 34 31 6  o 2.6634  0.4628 2.4410  132.000   -0.20  -0.02  0.08   -0.05  
1 1 1 34 31 7  o 10.014  0.1573 8.8007  134.800   -2.02  -0.64  -0.74  0.07   
1 1 1 34 31 8  o 10.418  0.1320 8.6467  164.200   -0.49  0.03   0.15   0.07   
1 1 1 34 31 9  o 12.637  0.1476 11.423  -103.1000 0.31   -1.25  0.14   -0.42  
1 1 1 34 31 10 o 1.3783  0.5934 0.3012  8.9000    0.02   0.04   -0.01  0.00   
1 1 1 34 31 11 o 6.6095  0.2330 6.6138  -34.9000  -0.92  0.05   -0.02  0.23   
1 1 1 34 31 12 o 3.6852  0.5068 3.3057  -73.6000  -0.90  -0.79  0.08   -0.11  
1 1 1 34 31 13 o 3.5637  0.4329 3.3820  41.700    0.05   0.14   -0.01  0.00   
1 1 1 34 31 14 o 3.7920  0.4952 3.9607  -28.8000  0.02   -0.16  -0.00  0.00   
1 1 1 34 31 15 o 2.1998  1.0391 1.2945  146.500   -0.31  -0.31  0.02   -0.02  
1 1 1 34 31 16 o 2.3098  1.0925 3.1996  -114.5000 -0.10  -0.58  -0.02  -0.06  
1 1 1 34 31 17 o 4.5348  0.6253 ?       ?         -0.26  0.12   0.00   -0.00  
1 1 1 34 31 18 o 4.5461  1.5747 ?       ?         -0.17  0.78   -0.00  0.02   
1 1 1 34 31 19 o 2.4126  1.1552 ?       ?         0.53   0.00   0.02   -0.01  
1 1 1 34 31 20 o 4.9516  1.1963 ?       ?         0.14   -0.69  0.00   -0.01  
1 1 1 34 32 0  o 4.6260  0.6973 4.0703  180.000   0.04   0.00   0.00   0.00   
1 1 1 34 32 1  f 6.6578  0.3808 6.0297  58.100    0.24   0.25   -0.02  0.08   
1 1 1 34 32 2  o 6.8266  0.3252 5.9362  -178.5000 0.23   0.05   0.00   0.04   
1 1 1 34 32 3  f 7.3377  0.3504 4.4545  167.200   -0.40  -0.42  -0.11  -0.01  
1 1 1 34 32 4  o 3.8512  0.6167 1.4904  158.700   0.73   0.33   -0.01  -0.05  
1 1 1 34 32 5  o 3.0537  1.4027 1.6163  143.700   0.05   0.53   0.02   -0.02  
1 1 1 34 32 6  o 9.3444  0.9045 8.1315  -112.8000 4.09   -3.03  -0.21  0.31   
1 1 1 34 32 7  o 2.0019  0.4488 0.5700  -81.5000  0.88   0.65   0.06   -0.35  
1 1 1 34 32 8  o 5.5236  0.2179 4.4737  0.3000    0.97   0.24   -0.17  0.02   
1 1 1 34 32 9  o 9.3512  0.5151 7.7665  75.600    3.22   5.59   0.75   -0.59  
1 1 1 34 32 10 o 10.505  0.2006 9.6436  -78.3000  0.35   -1.34  0.19   -0.15  
1 1 1 34 32 11 o 4.5613  0.3171 5.1786  91.900    -0.23  0.44   -0.06  -0.18  
1 1 1 34 32 12 o 8.7613  0.2173 7.9858  -92.7000  -0.84  -0.26  0.21   0.07   
1 1 1 34 32 13 o 0.0000  1.5565 ?       ?         -0.07  -0.08  0.01   0.01   
1 1 1 34 32 14 o 5.9324  0.3458 6.0990  168.500   -0.66  -0.29  0.04   -0.03  
1 1 1 34 32 15 o 3.9338  0.5180 5.2325  -175.2000 -0.33  0.34   0.01   -0.03  
1 1 1 34 32 16 o 3.4046  0.7112 ?       ?         0.02   0.28   -0.01  -0.00  
1 1 1 34 32 17 o 5.1573  0.5879 ?       ?         -1.49  -0.62  0.07   -0.01  
1 1 1 34 32 18 o 3.8004  1.5890 ?       ?         0.27   -0.03  0.00   0.00   
1 1 1 34 32 19 o 2.2268  1.0817 ?       ?         -0.05  0.13   -0.00  -0.00  
1 1 1 34 32 20 o 5.7784  0.9125 ?       ?         0.71   0.78   0.01   0.00   
1 1 1 34 33 0  o 13.605  0.3440 16.280  -0.0000   1.15   0.00   0.00   0.00   
1 1 1 34 33 1  o 4.8780  0.4361 5.6358  -114.3000 -0.33  0.14   -0.01  -0.10  
1 1 1 34 33 2  o 12.226  0.4791 13.031  102.400   -2.04  -0.99  -0.01  -0.21  
1 1 1 34 33 3  o 13.467  0.2491 13.294  -126.4000 0.64   -1.86  -0.19  0.49   
1 1 1 34 33 4  o 4.2630  1.8663 0.9573  157.100   1.08   -1.30  -0.00  0.10   
1 1 1 34 33 5  o 2.4990  0.6220 0.9454  -147.5000 -0.01  0.02   -0.00  -0.00  
1 1 1 34 33 6  o 10.838  0.2753 11.517  -104.4000 0.21   0.33   -0.03  -0.00  
1 1 1 34 33 7  o 4.0845  0.5450 4.1152  -48.2000  -0.01  -1.32  0.07   0.02   
1 1 1 34 33 8  o 12.384  0.2322 11.556  -50.6000  2.12   -2.77  -0.55  0.79   
1 1 1 34 33 9  o 13.064  0.1485 12.583  48.100    0.81   1.16   0.27   0.07   
1 1 1 34 33 10 o 9.2960  0.1730 8.0235  -5.0000   0.24   0.15   0.01   -0.01  
1 1 1 34 33 11 o 8.2234  0.3075 8.6848  172.000   1.14   0.64   0.06   -0.12  
1 1 1 34 33 12 o 3.6583  0.4290 4.0815  145.700   -0.18  0.26   -0.03  -0.00  
1 1 1 34 33 13 o 3.0115  0.5421 2.9929  -72.2000  0.14   0.01   0.00   -0.00  
1 1 1 34 33 14 o 5.3787  0.6547 3.5435  -6.1000   0.19   -1.42  0.03   0.09   
1 1 1 34 33 15 o 1.8130  0.7481 0.7953  -94.2000  0.08   -0.06  0.00   -0.00  
1 1 1 34 33 16 o 4.1604  0.6008 ?       ?         0.71   1.02   -0.08  0.02   
1 1 1 34 33 17 o 2.6495  1.2363 ?       ?         0.01   -0.22  -0.00  -0.00  
1 1 1 34 33 18 o 2.0872  1.0099 ?       ?         0.06   -0.33  -0.00  -0.00  
1 1 1 34 33 19 f 10.432  0.4638 ?       ?         -0.62  2.84   -0.04  -0.02  
1 1 1 34 33 20 o 2.2867  1.3888 ?       ?         -0.11  0.02   0.00   0.00   
1 1 1 34 34 1  o 6.6858  0.5510 6.2558  -90.0000  -0.00  -0.48  0.00   0.00   
1 1 1 34 34 2  f 10.890  0.3469 10.137  180.000   -0.07  0.00   0.00   0.00   
1 1 1 34 34 3  o 8.8769  0.4396 9.1888  90.000    0.00   0.43   0.00   0.00   
1 1 1 34 34 4  o 2.2583  0.9992 4.3123  -0.0000   0.02   0.00   0.00   0.00   
1 1 1 34 34 5  o 6.6333  0.5031 9.5240  -90.0000  -0.00  -0.35  0.00   0.00   
1 1 1 34 34 6  o 0.0000  2.7203 2.1981  -0.0000   -0.08  0.00   0.00   0.00   
1 1 1 34 34 7  o 5.9582  0.2495 6.5522  90.000    0.00   0.25   0.00   0.00   
1 1 1 34 34 8  o 1.7607  0.5269 2.2871  180.000   -0.14  0.00   0.00   0.00   
1 1 1 34 34 9  o 0.0000  1.8439 0.8952  90.000    0.00   0.08   0.00   0.00   
1 1 1 34 34 10 o 2.1909  0.6724 3.1630  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 34 34 11 o 9.5341  0.2603 6.7412  90.000    -0.00  -0.04  0.00   0.00   
1 1 1 34 34 12 o 6.5269  0.3623 6.9204  -180.0000 -0.47  0.00   0.00   0.00   
1 1 1 34 34 13 o 2.3452  0.8481 2.7406  90.000    -0.00  -0.01  0.00   0.00   
1 1 1 34 34 14 o 5.3852  0.4916 6.8677  -0.0000   0.16   0.00   0.00   0.00   
1 1 1 34 34 15 o 2.8461  1.0297 ?       ?         -0.00  -0.13  0.00   0.00   
1 1 1 34 34 16 o 2.3238  1.1117 ?       ?         0.10   0.00   0.00   0.00   
1 1 1 34 34 17 o 7.5763  0.6761 ?       ?         0.00   0.63   0.00   0.00   
1 1 1 34 34 18 o 6.0000  0.9096 ?       ?         -0.04  0.00   0.00   0.00   
1 1 1 34 34 19 o 1.5492  1.7006 ?       ?         -0.00  -0.20  0.00   0.00   
1 1 1 35 0  1  o 14.792  0.2165 17.111  -134.9000 -0.03  -0.03  0.00   0.00   
1 1 1 35 0  2  o 6.8993  0.2516 3.7611  -0.7000   -0.05  0.00   0.00   0.00   
1 1 1 35 0  3  o 24.123  0.2096 21.836  135.000   -0.13  0.13   0.00   0.00   
1 1 1 35 0  4  o 33.127  0.2293 44.022  -90.0000  -0.00  -0.53  0.00   0.00   
1 1 1 35 0  5  o 36.531  0.2461 34.838  45.000    0.04   0.04   0.00   0.00   
1 1 1 35 0  6  o 16.733  0.2008 13.847  -180.0000 0.14   0.00   0.00   0.00   
1 1 1 35 0  7  o 2.3875  0.5894 1.7914  -44.4000  -0.01  0.01   0.00   0.00   
1 1 1 35 0  8  o 12.071  0.2396 2.9139  90.100    0.00   0.20   0.00   0.00   
1 1 1 35 0  9  f 5.3944  0.3394 9.6680  -134.9000 -0.04  -0.04  0.00   0.00   
1 1 1 35 0  10 o 10.055  0.2237 17.188  179.900   -0.04  0.00   0.00   0.00   
1 1 1 35 0  11 o 34.240  0.2436 32.407  135.000   0.61   -0.61  0.00   0.00   
1 1 1 35 0  12 o 6.7380  0.3655 7.0783  -90.0000  -0.00  -0.06  0.00   0.00   
1 1 1 35 0  13 o 6.0000  0.3757 3.5078  -134.9000 -0.20  -0.20  0.00   0.00   
1 1 1 35 0  14 o 12.178  0.2533 14.465  180.000   -0.37  0.00   0.00   0.00   
1 1 1 35 0  15 o 4.8477  0.4937 5.4123  -45.0000  0.02   -0.02  0.00   0.00   
1 1 1 35 0  16 o 7.7071  0.3651 5.1431  -90.0000  0.00   0.16   0.00   0.00   
1 1 1 35 0  17 o 6.0249  0.4684 3.9534  45.000    0.20   0.20   0.00   0.00   
1 1 1 35 0  18 o 0.0000  2.4083 1.1743  0.0000    0.02   0.00   0.00   0.00   
1 1 1 35 0  19 f 20.241  0.2561 21.475  135.000   -0.44  0.44   0.00   0.00   
1 1 1 35 0  20 o 5.5857  0.5218 5.0960  90.000    0.00   0.18   0.00   0.00   
1 1 1 35 0  21 o 2.8636  0.8854 2.5632  45.000    -0.01  -0.01  0.00   0.00   
1 1 1 35 0  22 o 3.8079  0.8596 ?       ?         0.09   0.00   0.00   0.00   
1 1 1 35 0  23 o 4.8166  0.9611 ?       ?         -0.13  0.13   0.00   0.00   
1 1 1 35 0  24 o 4.3818  1.6081 ?       ?         -0.00  -0.31  0.00   0.00   
1 1 1 35 1  0  o 5.8907  0.3139 2.2467  1.0000    -0.04  0.00   0.00   0.00   
1 1 1 35 1  1  o 28.541  0.5112 22.355  -42.6000  15.95  2.74   -5.79  -2.99  
1 1 1 35 1  2  o 39.193  0.4389 37.220  -37.6000  6.98   1.59   -1.54  -1.31  
1 1 1 35 1  3  o 19.878  0.4255 18.028  -176.1000 -7.47  1.31   -2.29  0.45   
1 1 1 35 1  4  o 11.517  0.1406 11.156  -179.9000 -0.10  0.34   0.08   0.16   
1 1 1 35 1  5  o 20.095  0.1956 24.423  -164.0000 -0.17  -1.11  0.21   -0.00  
1 1 1 35 1  6  o 28.706  0.1548 28.874  118.300   -0.20  0.18   -0.14  -0.15  
1 1 1 35 1  7  o 40.938  0.3792 40.458  138.400   -7.21  1.89   -3.40  -0.04  
1 1 1 35 1  8  o 5.9114  0.2256 5.0543  -23.7000  0.11   0.38   0.25   -0.02  
1 1 1 35 1  9  o 10.399  0.1553 3.6251  -137.2000 0.27   -0.30  0.34   0.21   
1 1 1 35 1  10 o 13.146  0.1551 12.496  -69.3000  0.09   -0.09  0.04   0.00   
1 1 1 35 1  11 o 7.3255  0.2587 7.8290  24.700    2.14   0.49   -0.54  -0.44  
1 1 1 35 1  12 o 6.9488  0.3775 8.5891  166.500   -1.00  -3.25  0.74   -0.32  
1 1 1 35 1  13 o 17.441  0.1504 16.652  24.300    0.11   0.61   0.04   0.19   
1 1 1 35 1  14 o 9.6389  0.1965 7.6214  13.000    -0.34  0.15   0.22   0.07   
1 1 1 35 1  15 o 10.746  0.3425 10.854  134.600   1.75   -0.73  -0.23  0.10   
1 1 1 35 1  16 o 8.7269  0.2354 7.9167  -129.0000 -0.04  -0.33  0.01   -0.04  
1 1 1 35 1  17 o 3.0031  0.5597 2.6127  -93.1000  -0.04  0.01   0.00   -0.00  
1 1 1 35 1  18 o 4.4796  0.4390 4.8625  -3.6000   -0.10  -0.00  -0.00  -0.00  
1 1 1 35 1  19 o 5.3028  0.4749 5.4842  -149.1000 -0.39  0.30   0.01   0.02   
1 1 1 35 1  20 o 9.4330  0.2363 11.111  46.300    0.37   -0.08  0.05   0.00   
1 1 1 35 1  21 o 1.9953  0.7678 1.6454  -36.7000  0.22   0.07   0.03   0.02   
1 1 1 35 1  22 o 6.0260  0.4870 ?       ?         0.66   -0.07  0.05   -0.02  
1 1 1 35 1  23 o 4.4419  0.6341 ?       ?         0.30   -0.21  0.00   -0.01  
1 1 1 35 1  24 o 5.4625  1.0371 ?       ?         -0.18  0.41   -0.00  -0.00  
1 1 1 35 2  0  o 2.7019  0.4671 0.6120  2.1000    -0.00  0.00   0.00   0.00   
1 1 1 35 2  1  o 11.181  0.1907 12.583  -157.7000 -2.26  1.22   -0.51  1.09   
1 1 1 35 2  2  o 17.519  0.3775 22.938  -140.4000 -7.08  -5.11  -1.16  -2.63  
1 1 1 35 2  3  o 7.8767  0.3249 7.6752  57.600    1.44   1.60   0.00   -0.40  
1 1 1 35 2  4  o 9.2754  0.1422 6.3152  -161.9000 -1.16  0.68   -0.25  1.18   
1 1 1 35 2  5  o 10.728  0.3833 14.804  -77.4000  -1.28  -1.70  0.07   -0.18  
1 1 1 35 2  6  o 34.786  0.5289 37.065  95.600    -3.94  6.41   1.00   1.19   
1 1 1 35 2  7  o 30.219  0.5720 28.647  144.200   -6.54  5.18   -0.02  1.64   
1 1 1 35 2  8  o 14.354  0.2574 21.111  27.200    -1.46  4.08   1.08   1.35   
1 1 1 35 2  9  o 7.5140  0.1895 7.7308  78.900    0.52   1.17   0.28   -0.56  
1 1 1 35 2  10 o 1.4125  0.6950 3.7549  -149.8000 0.10   0.24   0.01   -0.01  
1 1 1 35 2  11 o 5.5077  0.4536 1.5068  149.600   -1.90  3.82   0.59   1.06   
1 1 1 35 2  12 o 22.088  0.1516 22.329  -99.9000  -0.21  -0.16  0.06   0.04   
1 1 1 35 2  13 o 12.095  0.2657 10.777  -155.4000 1.40   -0.17  -0.23  -0.08  
1 1 1 35 2  14 o 7.3542  0.5962 7.4747  -16.2000  4.32   -2.44  -0.27  0.77   
1 1 1 35 2  15 o 4.4241  0.5630 5.2383  9.7000    1.02   -1.85  0.22   0.21   
1 1 1 35 2  16 o 12.399  0.2912 12.092  -98.4000  1.24   -0.13  -0.14  -0.05  
1 1 1 35 2  17 f 8.1083  0.4571 7.2641  67.000    -0.96  1.52   -0.01  0.20   
1 1 1 35 2  18 o 6.4344  0.4362 5.5566  -106.1000 1.25   0.46   -0.15  -0.01  
1 1 1 35 2  19 f 5.4327  0.3954 2.9251  -146.0000 -0.92  0.29   0.02   0.15   
1 1 1 35 2  20 o 12.020  0.2128 11.285  44.700    -0.58  0.31   0.08   -0.04  
1 1 1 35 2  21 o 2.8492  0.6372 2.8902  5.6000    0.34   -0.21  0.06   -0.04  
1 1 1 35 2  22 o 9.4680  0.3663 ?       ?         -0.98  0.60   0.07   0.03   
1 1 1 35 2  23 o 3.8113  0.7686 ?       ?         -0.07  -0.09  -0.00  0.00   
1 1 1 35 2  24 o 9.2358  1.0617 ?       ?         -0.31  -0.11  0.00   0.00   
1 1 1 35 3  0  o 23.134  0.1886 26.687  -0.1000   0.03   0.00   0.00   0.00   
1 1 1 35 3  1  o 27.187  0.1623 23.583  85.600    1.89   1.66   -0.67  -1.23  
1 1 1 35 3  2  o 7.9043  0.1629 5.4437  -28.0000  2.54   -1.46  -0.92  2.61   
1 1 1 35 3  3  o 29.094  0.3789 30.968  138.900   -3.25  -1.45  -0.64  -0.39  
1 1 1 35 3  4  o 16.963  0.1292 17.983  -135.8000 -0.92  -0.36  -0.16  -0.36  
1 1 1 35 3  5  o 7.9210  0.3385 9.2915  138.500   -6.10  0.26   -2.32  0.38   
1 1 1 35 3  6  o 34.468  0.1698 32.967  -18.0000  0.17   -0.18  0.04   0.01   
1 1 1 35 3  7  o 10.594  0.1927 8.3486  169.400   -0.41  -1.48  1.95   -0.08  
1 1 1 35 3  8  o 26.296  0.1515 24.463  35.600    0.42   -0.11  0.13   0.20   
1 1 1 35 3  9  f 22.516  0.4352 19.572  -86.7000  0.24   -2.94  0.24   0.09   
1 1 1 35 3  10 o 11.073  0.3011 10.257  150.300   -1.19  2.23   0.45   0.40   
1 1 1 35 3  11 o 19.261  0.2028 20.488  -43.2000  1.90   -1.36  0.18   0.83   
1 1 1 35 3  12 o 20.159  0.1521 19.516  -6.0000   0.27   -0.07  0.02   -0.09  
1 1 1 35 3  13 o 10.844  0.6066 10.606  -33.5000  1.87   -5.62  0.78   0.35   
1 1 1 35 3  14 o 5.0347  0.3067 5.3282  -134.3000 -0.34  0.68   0.16   0.07   
1 1 1 35 3  15 o 8.8253  0.3709 8.3997  11.000    1.08   -0.06  -0.07  0.04   
1 1 1 35 3  16 o 11.349  0.4074 11.303  -38.7000  2.76   1.33   -0.07  -0.58  
1 1 1 35 3  17 o 6.0272  0.3271 6.0414  14.900    0.21   0.20   0.05   -0.01  
1 1 1 35 3  18 o 8.0234  0.2688 7.4137  -83.3000  0.67   0.00   -0.02  -0.15  
1 1 1 35 3  19 o 5.6181  0.3633 8.2218  -30.9000  0.63   0.14   0.08   -0.13  
1 1 1 35 3  20 o 2.0547  0.6624 2.5711  167.800   -0.32  0.09   0.07   0.05   
1 1 1 35 3  21 o 12.122  0.2451 12.542  -77.8000  -2.50  -1.54  -0.61  0.42   
1 1 1 35 3  22 o 3.8050  0.6187 ?       ?         0.35   -0.27  0.02   -0.03  
1 1 1 35 3  23 o 1.8592  1.1791 ?       ?         0.12   0.22   0.00   0.01   
1 1 1 35 3  24 o 6.4683  0.9454 ?       ?         0.16   -0.02  0.00   -0.00  
1 1 1 35 4  0  o 16.037  0.1727 19.925  180.000   -0.10  0.00   0.00   0.00   
1 1 1 35 4  1  o 8.4470  0.3774 11.580  147.500   -3.97  1.87   -0.49  0.67   
1 1 1 35 4  2  o 35.837  0.1770 36.789  -119.6000 -0.27  0.05   0.12   -0.04  
1 1 1 35 4  3  o 14.282  0.2360 12.966  -23.1000  3.06   -0.33  -1.28  0.01   
1 1 1 35 4  4  o 26.544  0.5210 22.810  58.200    14.55  1.29   -6.19  0.02   
1 1 1 35 4  5  o 16.594  0.1455 21.808  35.000    -0.28  0.08   -0.02  0.03   
1 1 1 35 4  6  o 15.589  0.1612 13.812  -60.6000  0.87   0.13   -0.15  -0.10  
1 1 1 35 4  7  o 11.952  0.3482 12.828  -57.7000  0.50   -2.72  0.44   0.10   
1 1 1 35 4  8  o 15.955  0.1391 18.657  -26.4000  0.01   -0.17  -0.14  0.09   
1 1 1 35 4  9  o 17.842  0.1422 16.077  94.500    -0.27  0.16   0.38   -0.23  
1 1 1 35 4  10 o 10.221  0.1964 9.0299  -103.8000 0.83   0.56   -0.01  -0.21  
1 1 1 35 4  11 o 10.429  0.1775 8.7014  134.300   -0.18  0.22   0.19   -0.39  
1 1 1 35 4  12 o 2.1586  0.5353 2.7660  -106.3000 -0.18  -0.06  -0.04  -0.01  
1 1 1 35 4  13 o 23.255  0.1508 22.878  49.700    0.71   1.80   -0.15  1.58   
1 1 1 35 4  14 o 15.960  0.1630 17.103  36.800    -0.34  0.23   -0.01  -0.16  
1 1 1 35 4  15 o 4.2819  0.3625 5.5507  -86.6000  0.51   -0.11  -0.06  0.13   
1 1 1 35 4  16 o 3.4853  0.4562 2.7738  -35.2000  -0.12  -0.08  -0.02  0.00   
1 1 1 35 4  17 o 4.8829  0.5117 4.5121  -45.5000  -0.45  -0.00  -0.02  0.01   
1 1 1 35 4  18 o 11.961  0.2336 11.081  81.700    0.21   0.89   0.01   -0.10  
1 1 1 35 4  19 o 5.3602  0.4009 5.6011  -145.7000 -0.10  -0.62  -0.10  0.18   
1 1 1 35 4  20 o 5.4742  0.3950 4.9450  -115.7000 -0.01  0.23   -0.00  0.01   
1 1 1 35 4  21 o 5.7233  0.4439 5.6874  -147.4000 -0.63  -1.01  -0.09  -0.09  
1 1 1 35 4  22 o 3.4913  0.6614 ?       ?         0.06   -0.19  -0.01  -0.00  
1 1 1 35 4  23 o 8.6029  0.4413 ?       ?         1.24   -2.75  -0.06  -0.26  
1 1 1 35 4  24 o 1.4111  1.5405 ?       ?         0.09   -0.02  0.00   -0.00  
1 1 1 35 5  0  f 23.313  0.2420 21.011  -180.0000 -0.28  0.00   0.00   0.00   
1 1 1 35 5  1  o 33.442  0.2183 38.158  163.500   -1.79  2.78   1.75   0.96   
1 1 1 35 5  2  o 10.176  0.4923 10.847  -129.4000 -7.93  -2.92  -1.57  -1.55  
1 1 1 35 5  3  o 14.927  0.2062 9.9778  5.4000    -0.70  1.03   0.16   0.22   
1 1 1 35 5  4  o 15.127  0.1936 18.149  -113.4000 -2.56  -0.58  -1.06  -0.93  
1 1 1 35 5  5  o 17.612  0.1456 20.851  28.700    0.87   -1.94  1.08   0.62   
1 1 1 35 5  6  o 11.495  0.1424 10.812  -164.0000 -0.48  0.07   -0.14  -0.02  
1 1 1 35 5  7  o 32.269  0.3835 34.411  177.600   -2.70  6.69   2.72   1.11   
1 1 1 35 5  8  o 14.306  0.1738 11.971  96.400    0.14   -0.57  -2.19  -0.84  
1 1 1 35 5  9  o 7.8765  0.1854 6.2730  51.000    -0.42  -0.11  -0.09  -0.67  
1 1 1 35 5  10 f 11.344  0.1858 11.803  11.500    1.44   0.32   -0.33  -0.35  
1 1 1 35 5  11 o 18.134  0.1534 16.992  173.800   0.40   -0.16  -0.14  -0.09  
1 1 1 35 5  12 o 4.1730  0.3486 5.5823  -42.0000  0.05   -0.12  0.06   -0.06  
1 1 1 35 5  13 o 19.058  0.2619 20.238  -93.2000  2.42   -0.07  -0.46  -0.40  
1 1 1 35 5  14 o 3.0526  0.6754 2.9194  62.600    1.09   -0.02  -0.12  0.03   
1 1 1 35 5  15 o 20.335  0.1633 21.808  34.600    0.68   2.16   0.96   1.02   
1 1 1 35 5  16 o 11.141  0.1999 11.704  27.100    0.14   0.10   0.01   0.02   
1 1 1 35 5  17 o 2.4618  0.6215 2.2353  -113.4000 0.07   0.10   0.00   -0.00  
1 1 1 35 5  18 o 11.967  0.2119 14.061  113.300   -0.28  -0.83  -0.29  -0.09  
1 1 1 35 5  19 o 13.469  0.2010 14.183  115.100   -0.87  0.60   0.04   -0.23  
1 1 1 35 5  20 o 5.3322  0.3615 5.3639  -36.1000  -0.41  -1.13  0.22   0.19   
1 1 1 35 5  21 o 7.5752  0.3247 7.0392  62.500    0.39   0.10   0.04   0.01   
1 1 1 35 5  22 o 10.002  0.2859 ?       ?         -1.07  0.26   0.11   -0.10  
1 1 1 35 5  23 o 2.9450  1.0181 ?       ?         -0.04  -0.24  -0.00  -0.00  
1 1 1 35 5  24 o 3.1400  1.3948 ?       ?         -0.29  -0.07  0.00   0.00   
1 1 1 35 6  0  o 13.357  0.1810 11.595  0.2000    0.06   0.00   0.00   0.00   
1 1 1 35 6  1  o 3.6509  0.2582 6.8713  -136.8000 0.71   0.30   -0.16  -0.21  
1 1 1 35 6  2  f 15.443  0.2058 12.784  79.800    -4.94  1.78   -4.13  2.00   
1 1 1 35 6  3  o 10.105  0.1473 8.8267  -24.0000  0.04   -1.51  0.79   -0.15  
1 1 1 35 6  4  o 24.393  0.5500 21.630  167.900   -7.33  1.68   -0.98  0.64   
1 1 1 35 6  5  o 4.5969  0.4150 8.3920  29.800    0.08   2.17   0.32   -0.04  
1 1 1 35 6  6  o 9.8561  0.4626 10.991  -59.8000  -3.48  -7.29  1.56   -1.62  
1 1 1 35 6  7  o 16.860  0.2515 14.495  86.100    -3.16  2.95   -0.72  2.07   
1 1 1 35 6  8  o 12.824  0.2701 16.938  157.500   -3.17  -3.78  0.78   -2.03  
1 1 1 35 6  9  o 7.1350  0.2058 2.2000  -106.6000 0.33   -0.26  0.19   0.37   
1 1 1 35 6  10 f 13.923  0.1996 12.821  -47.2000  -1.72  -3.12  0.35   -2.29  
1 1 1 35 6  11 o 9.7838  0.2774 9.2273  50.400    -1.28  3.33   1.19   0.63   
1 1 1 35 6  12 o 7.4017  0.2235 7.1307  -115.5000 0.20   0.70   0.18   -0.00  
1 1 1 35 6  13 o 19.863  0.1647 22.593  -41.4000  0.38   0.16   0.09   0.02   
1 1 1 35 6  14 o 14.463  0.1604 13.461  98.600    -0.45  0.57   -0.17  0.10   
1 1 1 35 6  15 o 11.749  0.1888 10.670  123.400   -0.13  0.18   0.02   -0.07  
1 1 1 35 6  16 o 7.0331  0.3457 4.5437  44.900    0.89   -0.84  -0.12  0.15   
1 1 1 35 6  17 o 10.427  0.2214 10.015  120.000   0.16   -0.04  0.01   0.00   
1 1 1 35 6  18 o 4.4724  0.4137 4.8080  17.400    -0.18  -0.20  -0.01  0.06   
1 1 1 35 6  19 o 17.002  0.2756 17.964  3.3000    2.42   2.06   0.70   -0.13  
1 1 1 35 6  20 o 6.9291  0.3416 7.5435  104.400   0.35   0.26   0.03   -0.01  
1 1 1 35 6  21 o 4.8415  0.4308 5.1147  -109.3000 -0.56  -0.37  0.11   0.03   
1 1 1 35 6  22 o 4.4675  0.5666 ?       ?         -0.26  0.20   0.00   -0.01  
1 1 1 35 6  23 f 6.5830  0.8463 ?       ?         1.47   -0.19  0.04   -0.05  
1 1 1 35 6  24 f 7.2653  0.8135 ?       ?         -0.16  1.23   0.00   0.02   
1 1 1 35 7  0  o 25.058  0.2156 27.478  0.1000    0.13   0.00   0.00   0.00   
1 1 1 35 7  1  o 14.451  0.3471 13.320  147.400   -5.42  1.37   -1.70  0.64   
1 1 1 35 7  2  o 7.1078  0.3407 4.4822  98.400    0.54   2.19   0.32   -0.20  
1 1 1 35 7  3  o 5.3519  0.3147 8.8332  -143.4000 -1.70  0.62   -0.26  0.25   
1 1 1 35 7  4  o 24.849  0.3532 23.170  139.800   0.51   1.58   0.10   -0.12  
1 1 1 35 7  5  o 14.704  0.1641 17.668  135.700   -0.35  1.37   0.34   0.33   
1 1 1 35 7  6  o 18.227  0.2046 17.641  -159.9000 -1.42  1.32   0.14   0.56   
1 1 1 35 7  7  o 23.000  0.7251 23.821  -135.8000 -8.96  -11.74 0.37   -2.44  
1 1 1 35 7  8  o 15.982  0.2653 19.940  52.800    3.10   0.23   -0.84  -0.35  
1 1 1 35 7  9  o 23.514  0.2422 20.985  169.600   -1.37  2.24   0.52   0.44   
1 1 1 35 7  10 o 8.6577  0.4077 5.8016  168.300   -0.03  4.51   1.11   0.19   
1 1 1 35 7  11 o 11.368  0.2674 9.5477  -158.7000 0.22   -3.16  0.84   0.40   
1 1 1 35 7  12 o 7.8051  0.2126 8.1280  31.600    -0.08  0.31   -0.12  0.21   
1 1 1 35 7  13 o 9.7959  0.2172 9.5949  -162.3000 0.05   -0.78  0.09   0.08   
1 1 1 35 7  14 o 6.5939  0.2578 4.2788  171.500   -0.11  0.90   0.11   0.10   
1 1 1 35 7  15 o 4.7924  0.4248 4.1469  159.000   0.47   0.68   -0.00  -0.09  
1 1 1 35 7  16 o 19.063  0.2761 19.129  57.900    1.07   1.04   -0.19  -0.08  
1 1 1 35 7  17 o 12.920  0.4483 12.686  72.000    1.68   3.43   0.59   -0.19  
1 1 1 35 7  18 o 3.0710  0.5312 3.8734  -149.9000 -0.25  -0.13  0.07   0.05   
1 1 1 35 7  19 f 14.525  0.1889 16.671  30.100    0.84   -0.20  0.10   0.05   
1 1 1 35 7  20 o 2.9731  0.6317 2.3413  -45.4000  0.11   -0.32  0.02   -0.03  
1 1 1 35 7  21 o 3.7721  0.6026 2.6552  -45.2000  -0.24  0.19   0.02   0.00   
1 1 1 35 7  22 o 4.8131  0.6937 ?       ?         -0.51  0.72   0.04   -0.00  
1 1 1 35 7  23 o 3.7767  0.8987 ?       ?         -0.33  0.40   -0.01  -0.01  
1 1 1 35 7  24 o 8.9483  1.5120 ?       ?         -0.03  -1.33  0.01   0.01   
1 1 1 35 8  0  o 28.803  0.2188 28.014  0.0000    0.40   0.00   0.00   0.00   
1 1 1 35 8  1  f 32.693  0.1959 29.350  -174.6000 -2.07  -0.74  -0.25  -0.93  
1 1 1 35 8  2  o 23.119  0.1373 25.095  172.900   0.06   -0.03  0.02   -0.01  
1 1 1 35 8  3  o 12.582  0.3173 13.831  144.000   2.48   1.67   -0.42  -0.69  
1 1 1 35 8  4  o 16.738  0.1455 13.371  -19.4000  1.29   0.13   -0.42  -0.25  
1 1 1 35 8  5  o 13.891  0.1344 14.175  -139.0000 0.73   0.25   -0.23  -0.54  
1 1 1 35 8  6  o 32.319  0.8506 32.186  -34.0000  14.07  -1.46  -2.23  0.91   
1 1 1 35 8  7  o 8.0501  0.1813 6.3320  -89.0000  -0.39  -0.19  -0.60  -0.05  
1 1 1 35 8  8  o 6.4414  0.2262 3.8429  -163.4000 0.03   -0.64  0.18   0.08   
1 1 1 35 8  9  f 30.539  0.1639 35.644  -23.6000  0.82   0.59   0.39   -0.29  
1 1 1 35 8  10 o 17.626  0.1528 16.524  121.200   0.35   -0.04  0.21   0.13   
1 1 1 35 8  11 o 14.400  0.3401 13.385  -172.1000 1.32   -0.47  -0.10  0.04   
1 1 1 35 8  12 o 18.593  0.1455 15.477  143.500   -0.61  0.35   0.46   0.01   
1 1 1 35 8  13 o 7.3868  0.3063 3.5924  -106.1000 -1.40  1.26   0.13   0.42   
1 1 1 35 8  14 o 15.559  0.1757 16.840  -112.3000 -0.25  -3.24  1.43   1.60   
1 1 1 35 8  15 o 15.193  0.1995 15.072  -102.4000 -1.72  -0.07  -0.35  0.28   
1 1 1 35 8  16 o 17.115  0.1904 16.569  -59.3000  0.36   0.28   -0.03  0.00   
1 1 1 35 8  17 o 12.943  0.3381 13.916  83.500    -0.83  2.44   0.05   0.47   
1 1 1 35 8  18 o 4.7347  0.5514 4.4770  -127.7000 -0.62  -1.20  -0.00  -0.15  
1 1 1 35 8  19 o 10.414  0.2296 9.4786  61.100    0.74   -0.34  -0.01  -0.17  
1 1 1 35 8  20 o 1.4333  0.8817 1.0261  -29.6000  0.20   -0.03  -0.01  -0.01  
1 1 1 35 8  21 o 3.4928  0.6499 ?       ?         0.12   0.54   -0.03  -0.05  
1 1 1 35 8  22 o 4.5568  0.5539 ?       ?         0.89   0.12   0.07   0.03   
1 1 1 35 8  23 o 5.4862  1.5467 ?       ?         -0.09  0.51   -0.00  0.01   
1 1 1 35 8  24 o 5.4400  0.8929 ?       ?         0.51   -0.21  -0.00  -0.00  
1 1 1 35 9  0  o 25.464  0.2142 28.307  -179.9000 0.04   0.00   0.00   0.00   
1 1 1 35 9  1  o 13.234  0.1176 13.629  -69.1000  -0.13  -0.21  -0.06  -0.14  
1 1 1 35 9  2  o 31.357  0.1691 34.963  -113.9000 -0.54  -0.52  0.68   0.05   
1 1 1 35 9  3  f 14.149  0.3936 15.504  -151.9000 -3.65  -4.31  0.32   -1.16  
1 1 1 35 9  4  o 36.113  0.1736 35.197  -58.7000  -1.23  -1.13  -2.00  -0.21  
1 1 1 35 9  5  o 20.227  0.5379 18.121  -34.6000  15.29  1.29   -4.95  -1.54  
1 1 1 35 9  6  o 8.4822  0.1905 13.375  97.700    0.15   -0.07  0.20   -0.50  
1 1 1 35 9  7  o 14.533  0.2811 15.386  1.8000    1.57   -3.87  1.23   0.76   
1 1 1 35 9  8  o 27.248  0.4502 27.882  159.600   -8.50  1.65   -2.19  0.28   
1 1 1 35 9  9  o 13.835  0.1418 13.212  12.900    1.50   -0.75  0.27   1.82   
1 1 1 35 9  10 o 16.234  0.1411 13.314  76.000    0.02   0.32   -0.18  0.19   
1 1 1 35 9  11 o 14.845  0.1448 16.849  0.7000    0.34   0.19   0.03   -0.08  
1 1 1 35 9  12 o 18.809  0.3674 19.172  -156.9000 -1.14  -6.68  2.17   0.13   
1 1 1 35 9  13 o 15.559  0.3311 16.428  -134.4000 0.22   -2.76  0.39   0.29   
1 1 1 35 9  14 o 14.440  0.1909 16.474  61.000    0.21   -0.09  0.00   0.01   
1 1 1 35 9  15 o 24.390  0.1646 21.854  171.700   -0.86  -0.15  0.15   0.18   
1 1 1 35 9  16 o 7.1857  0.2701 6.8475  -99.1000  -0.06  -0.16  0.01   0.02   
1 1 1 35 9  17 f 5.5117  0.5084 4.6485  -81.4000  -0.27  -1.88  0.28   0.07   
1 1 1 35 9  18 o 9.9014  0.5415 9.8108  166.600   -2.43  -0.49  -0.13  -0.21  
1 1 1 35 9  19 o 4.1512  0.4414 3.3472  -120.7000 -0.33  -0.17  0.06   0.05   
1 1 1 35 9  20 o 3.6433  0.5370 3.4077  17.800    0.66   -0.75  0.16   0.05   
1 1 1 35 9  21 o 6.1591  0.4388 ?       ?         0.53   0.23   0.02   0.04   
1 1 1 35 9  22 o 3.4502  0.7191 ?       ?         -0.04  -0.13  -0.00  0.00   
1 1 1 35 9  23 o 5.5580  0.6883 ?       ?         0.59   0.28   0.01   0.01   
1 1 1 35 9  24 o 6.9933  1.3381 ?       ?         0.77   -0.37  -0.01  -0.01  
1 1 1 35 10 0  f 30.097  0.2161 30.869  -180.0000 -0.11  0.00   0.00   0.00   
1 1 1 35 10 1  o 20.888  0.1427 22.639  -176.4000 0.17   0.80   0.11   -0.86  
1 1 1 35 10 2  o 16.522  0.1716 14.189  -121.4000 -4.70  -2.72  -3.96  -3.99  
1 1 1 35 10 3  o 20.933  0.4171 20.177  -101.5000 1.47   -5.68  0.97   0.75   
1 1 1 35 10 4  o 27.830  1.5048 26.275  -119.7000 0.00   0.00   0.00   0.00   
1 1 1 35 10 5  f 10.185  0.1718 5.6794  -35.6000  -0.21  -0.42  0.02   -0.23  
1 1 1 35 10 6  o 19.691  0.3362 18.480  -98.9000  0.60   -4.56  1.07   0.54   
1 1 1 35 10 7  o 6.2396  0.2594 4.9146  -69.5000  0.67   0.34   -0.04  -0.07  
1 1 1 35 10 8  o 7.5270  0.2134 12.425  -27.9000  0.30   -0.22  0.00   0.06   
1 1 1 35 10 9  o 6.5667  0.2222 8.4474  -135.5000 -0.02  0.19   0.02   -0.00  
1 1 1 35 10 10 o 10.031  0.4186 11.522  -124.5000 -2.53  -3.11  0.29   -0.71  
1 1 1 35 10 11 o 21.381  0.4384 26.529  16.500    1.38   9.38   2.59   0.02   
1 1 1 35 10 12 o 12.389  0.1573 11.298  113.700   -0.30  -0.05  -0.01  -0.02  
1 1 1 35 10 13 o 8.9017  0.1953 12.173  146.500   -0.18  -0.18  0.09   0.00   
1 1 1 35 10 14 o 18.187  0.1955 16.524  -32.8000  2.38   0.62   -0.09  -0.90  
1 1 1 35 10 15 o 9.6532  0.2329 8.6033  -66.8000  -0.90  -0.60  -0.16  -0.10  
1 1 1 35 10 16 o 15.482  0.3628 14.027  171.000   -3.10  -0.86  -0.16  -0.54  
1 1 1 35 10 17 o 7.9675  0.2562 9.4255  20.600    0.47   0.06   -0.00  0.11   
1 1 1 35 10 18 o 5.6536  0.3553 5.2667  -91.7000  -0.13  0.09   0.00   0.00   
1 1 1 35 10 19 o 7.5780  0.2859 8.2141  164.500   -0.48  0.71   0.10   -0.00  
1 1 1 35 10 20 o 3.8121  0.5596 2.7408  -48.5000  0.25   -0.01  0.00   0.01   
1 1 1 35 10 21 o 2.5679  0.7406 ?       ?         0.19   0.12   -0.01  0.01   
1 1 1 35 10 22 o 4.2901  1.5336 ?       ?         -0.31  -0.31  0.01   -0.00  
1 1 1 35 10 23 o 2.8530  1.0514 ?       ?         0.08   0.14   -0.00  0.00   
1 1 1 35 10 24 o 3.0708  1.1756 ?       ?         -0.30  -0.15  0.00   0.00   
1 1 1 35 11 0  o 11.459  0.1804 10.255  0.3000    -0.07  0.00   0.00   0.00   
1 1 1 35 11 1  o 17.567  0.2108 14.695  -175.2000 0.07   1.79   0.41   0.06   
1 1 1 35 11 2  o 29.367  0.2476 31.380  156.600   -1.90  0.03   -0.36  -0.13  
1 1 1 35 11 3  o 12.454  0.1990 15.462  172.100   -0.56  0.84   0.03   0.15   
1 1 1 35 11 4  o 29.048  0.1639 26.282  11.500    0.33   -1.25  0.69   -0.41  
1 1 1 35 11 5  o 16.579  0.2590 11.783  -0.8000   3.58   0.13   -1.25  -0.41  
1 1 1 35 11 6  o 9.8498  0.3219 9.4499  94.200    -1.36  1.47   0.06   0.26   
1 1 1 35 11 7  o 12.892  0.1580 8.8846  -15.2000  0.56   0.42   -0.06  -0.10  
1 1 1 35 11 8  o 9.1922  0.1748 8.9956  -131.6000 -0.72  -0.88  0.30   -0.48  
1 1 1 35 11 9  o 22.005  0.2126 21.872  -161.1000 -0.71  0.43   -0.08  0.05   
1 1 1 35 11 10 o 12.804  0.1538 13.310  -164.0000 -0.74  0.60   0.42   0.54   
1 1 1 35 11 11 o 3.2678  0.3974 3.0118  39.500    -0.08  0.05   -0.03  -0.00  
1 1 1 35 11 12 o 12.804  0.2988 13.556  109.700   0.15   -1.09  0.08   0.08   
1 1 1 35 11 13 o 5.7542  0.7450 8.6993  72.200    -1.86  3.48   0.18   0.39   
1 1 1 35 11 14 o 7.7181  0.2300 6.4556  -70.1000  0.85   -0.04  -0.13  0.11   
1 1 1 35 11 15 o 3.6373  0.4292 5.2360  147.900   0.00   -0.03  -0.00  -0.00  
1 1 1 35 11 16 o 5.5547  0.3271 5.0625  164.000   0.15   -1.05  0.19   -0.10  
1 1 1 35 11 17 o 6.2017  0.3166 6.8067  -168.4000 -0.63  0.22   -0.10  -0.05  
1 1 1 35 11 18 o 7.9417  0.3565 9.3231  95.800    -0.36  0.28   -0.02  0.01   
1 1 1 35 11 19 o 2.9868  0.9853 3.3836  -164.2000 -0.69  -0.20  -0.07  0.01   
1 1 1 35 11 20 o 6.6849  0.3558 5.7775  71.800    -0.58  -0.00  0.07   0.03   
1 1 1 35 11 21 o 4.1942  1.4490 ?       ?         0.89   -0.15  -0.04  -0.01  
1 1 1 35 11 22 o 11.802  0.3293 ?       ?         1.14   -0.91  -0.00  -0.08  
1 1 1 35 11 23 o 2.8396  0.9693 ?       ?         0.09   0.48   -0.01  0.02   
1 1 1 35 11 24 o 8.2168  0.9740 ?       ?         0.56   0.52   0.01   0.00   
1 1 1 35 12 0  o 7.0993  0.2119 16.454  -180.0000 -0.06  0.00   0.00   0.00   
1 1 1 35 12 1  o 22.303  0.1731 21.414  -95.5000  0.04   -2.49  1.16   -0.42  
1 1 1 35 12 2  o 17.513  0.5315 17.416  -8.7000   5.58   -1.58  -0.63  0.31   
1 1 1 35 12 3  o 14.274  0.1654 16.730  101.000   1.30   0.92   -0.28  -0.43  
1 1 1 35 12 4  o 41.599  0.2717 44.955  49.500    2.56   1.45   -0.90  -0.24  
1 1 1 35 12 5  o 19.487  0.4550 20.762  -120.9000 3.38   -6.06  0.60   1.47   
1 1 1 35 12 6  o 25.939  0.3970 25.052  19.900    7.16   1.65   -1.61  -1.41  
1 1 1 35 12 7  o 7.5590  0.1839 5.2821  -135.3000 0.30   -0.32  -0.10  0.21   
1 1 1 35 12 8  o 23.499  0.2340 22.087  -76.8000  -0.63  -0.57  -0.03  -0.06  
1 1 1 35 12 9  o 18.899  0.1830 23.549  -159.4000 -1.10  -0.59  -0.01  -0.30  
1 1 1 35 12 10 o 20.414  0.4268 22.841  -142.8000 -2.98  -0.61  -0.32  -0.04  
1 1 1 35 12 11 o 7.1975  0.2086 6.4271  -28.3000  0.06   0.27   0.09   0.08   
1 1 1 35 12 12 o 10.325  0.3221 10.480  36.000    3.16   0.52   -0.62  -0.56  
1 1 1 35 12 13 o 4.4847  0.7810 4.0223  5.6000    1.22   0.47   -0.05  -0.03  
1 1 1 35 12 14 o 8.6323  0.3775 9.6361  -18.5000  0.66   -1.49  0.15   0.08   
1 1 1 35 12 15 o 5.3881  0.5959 5.7052  70.800    -0.50  1.15   0.03   0.06   
1 1 1 35 12 16 o 10.003  0.2102 9.5688  161.200   -0.50  0.30   -0.08  -0.00  
1 1 1 35 12 17 o 5.8773  0.3921 4.5224  44.400    1.30   0.31   -0.07  -0.17  
1 1 1 35 12 18 o 3.8644  0.4911 4.7389  -77.6000  0.01   0.14   0.00   -0.00  
1 1 1 35 12 19 o 7.2397  0.3035 7.8338  -153.6000 -0.07  -0.32  -0.04  0.01   
1 1 1 35 12 20 o 2.6991  0.6603 1.3819  60.900    -0.21  0.33   0.04   -0.02  
1 1 1 35 12 21 o 3.0166  0.7244 ?       ?         0.22   0.15   0.01   0.02   
1 1 1 35 12 22 o 7.6723  0.5901 ?       ?         -1.04  -0.49  -0.03  0.03   
1 1 1 35 12 23 o 7.9561  0.5275 ?       ?         0.08   -0.94  -0.02  0.01   
1 1 1 35 12 24 o 9.6393  1.1163 ?       ?         0.01   -3.54  -0.05  0.08   
1 1 1 35 13 0  o 13.594  0.2385 14.472  -179.9000 -0.24  0.00   0.00   0.00   
1 1 1 35 13 1  o 36.402  0.1753 40.266  -142.3000 -0.88  -2.65  3.89   5.52   
1 1 1 35 13 2  o 15.264  0.4267 12.807  -9.8000   8.14   -0.57  -2.03  0.49   
1 1 1 35 13 3  o 13.449  0.1221 11.682  169.300   -1.30  -1.01  1.09   -2.68  
1 1 1 35 13 4  o 8.9714  0.4526 8.8981  39.600    8.02   -2.91  -1.80  1.78   
1 1 1 35 13 5  o 14.779  0.3331 14.579  -4.6000   5.75   0.02   -1.66  0.27   
1 1 1 35 13 6  o 10.486  0.1864 10.039  90.400    -0.17  0.07   -0.01  0.00   
1 1 1 35 13 7  f 9.9343  0.5016 4.1137  6.6000    -3.10  10.76  2.58   1.33   
1 1 1 35 13 8  o 19.392  0.1911 19.130  10.500    0.41   -1.03  0.20   0.04   
1 1 1 35 13 9  o 12.088  0.2210 15.608  128.200   -0.90  0.77   0.03   0.19   
1 1 1 35 13 10 o 8.6729  0.2471 5.1055  -179.6000 -0.26  -2.11  0.65   0.07   
1 1 1 35 13 11 o 5.6825  0.2647 6.3741  73.000    0.11   0.52   0.15   0.03   
1 1 1 35 13 12 o 8.7385  0.2149 7.9151  15.500    0.46   -0.37  -0.05  0.05   
1 1 1 35 13 13 o 7.2065  0.2700 4.4907  166.900   -0.24  -0.08  -0.01  -0.00  
1 1 1 35 13 14 o 7.4359  0.4427 8.6542  -143.9000 -1.40  0.32   -0.08  0.07   
1 1 1 35 13 15 o 13.338  0.3225 13.049  24.700    1.87   1.60   0.33   -0.41  
1 1 1 35 13 16 o 8.4903  0.2396 8.3019  -0.8000   1.03   0.44   0.14   -0.32  
1 1 1 35 13 17 o 11.496  0.1958 12.112  4.4000    1.21   0.46   0.12   -0.28  
1 1 1 35 13 18 o 10.051  0.3341 10.758  19.800    1.42   -0.05  -0.10  -0.13  
1 1 1 35 13 19 o 5.0006  0.4418 5.7219  100.100   0.08   0.19   -0.01  0.01   
1 1 1 35 13 20 o 5.9482  0.4173 5.1696  -112.5000 -1.47  0.01   -0.02  0.22   
1 1 1 35 13 21 o 10.920  0.2952 ?       ?         0.98   -0.36  0.08   -0.01  
1 1 1 35 13 22 o 9.0060  0.4577 ?       ?         0.67   -0.92  0.03   -0.03  
1 1 1 35 13 23 o 6.9210  0.5725 ?       ?         -0.49  -0.38  0.01   0.01   
1 1 1 35 13 24 o 4.3881  1.2395 ?       ?         -0.14  0.60   -0.00  -0.01  
1 1 1 35 14 0  o 11.649  0.1609 10.104  -0.1000   -0.01  0.00   0.00   0.00   
1 1 1 35 14 1  o 22.417  0.6661 22.514  -99.4000  -14.93 1.94   -3.89  1.76   
1 1 1 35 14 2  o 12.362  0.1270 8.0792  -61.3000  -1.72  -0.16  -1.33  -0.93  
1 1 1 35 14 3  o 28.974  0.1969 25.768  -75.2000  -0.68  -2.37  0.42   -0.92  
1 1 1 35 14 4  o 12.634  0.3583 13.925  16.100    3.35   1.11   -0.43  -0.42  
1 1 1 35 14 5  o 19.771  0.2503 20.056  -174.1000 -2.35  0.83   -0.62  0.21   
1 1 1 35 14 6  f 23.062  0.1483 22.786  -106.1000 -0.50  -0.18  0.40   0.54   
1 1 1 35 14 7  o 26.267  0.4210 22.547  135.300   -5.97  -0.16  -1.17  -0.41  
1 1 1 35 14 8  o 17.005  0.2003 16.724  119.200   -4.06  1.02   -2.78  0.04   
1 1 1 35 14 9  f 9.4066  0.2807 8.3379  15.100    1.45   0.11   -0.21  0.02   
1 1 1 35 14 10 o 16.809  0.2170 15.186  58.000    0.51   2.48   0.71   0.05   
1 1 1 35 14 11 o 14.998  0.1697 14.770  -34.7000  -0.54  1.46   0.64   -0.10  
1 1 1 35 14 12 o 4.4486  0.3378 4.9090  120.800   -0.15  -0.21  0.04   -0.02  
1 1 1 35 14 13 o 17.649  0.3761 18.492  -7.6000   -0.00  1.00   0.04   0.02   
1 1 1 35 14 14 o 4.2840  0.5057 5.7970  -59.9000  0.58   -0.25  -0.03  0.02   
1 1 1 35 14 15 o 14.109  0.3017 13.631  -173.1000 -1.63  -1.37  0.26   -0.32  
1 1 1 35 14 16 o 5.8351  0.3340 4.8593  166.800   1.11   -0.37  -0.36  -0.23  
1 1 1 35 14 17 o 13.102  0.2291 13.172  167.200   -0.24  -0.18  -0.01  0.00   
1 1 1 35 14 18 f 9.6851  0.2443 10.083  -74.0000  -0.20  -0.05  0.01   0.01   
1 1 1 35 14 19 f 9.5690  0.2541 8.8907  -28.9000  0.78   -0.23  0.06   -0.12  
1 1 1 35 14 20 f 9.8047  0.2818 9.5469  -108.6000 -1.15  -0.85  0.18   -0.02  
1 1 1 35 14 21 o 6.3111  0.4447 ?       ?         -0.86  -0.70  0.05   0.13   
1 1 1 35 14 22 o 8.2751  0.4795 ?       ?         -1.14  -0.74  0.04   0.06   
1 1 1 35 14 23 o 0.0000  2.4747 ?       ?         0.16   -0.39  -0.02  -0.02  
1 1 1 35 14 24 o 7.3285  0.7244 ?       ?         -0.57  1.81   -0.01  -0.01  
1 1 1 35 15 0  o 8.7750  0.1732 6.7346  -179.5000 -0.05  0.00   0.00   0.00   
1 1 1 35 15 1  o 17.071  0.1354 22.399  57.900    -0.19  0.83   0.21   0.67   
1 1 1 35 15 2  o 4.2235  0.2112 1.1453  -142.9000 -0.66  0.27   -0.29  0.51   
1 1 1 35 15 3  o 14.261  0.1430 18.564  -15.0000  2.46   0.25   -1.48  -0.90  
1 1 1 35 15 4  o 12.240  0.1226 14.971  133.700   -0.34  0.08   -0.33  -0.46  
1 1 1 35 15 5  o 22.084  0.1455 18.341  -99.4000  0.60   0.81   -2.21  0.69   
1 1 1 35 15 6  o 8.2403  0.2067 5.2877  -63.0000  0.81   0.37   -0.09  -0.07  
1 1 1 35 15 7  o 22.967  0.1421 24.816  -93.3000  0.16   -0.50  -0.36  0.03   
1 1 1 35 15 8  o 2.9586  0.3731 2.2061  33.600    0.07   -0.07  0.00   0.00   
1 1 1 35 15 9  o 18.740  0.2529 20.990  169.200   -1.43  2.53   0.67   0.45   
1 1 1 35 15 10 o 14.228  0.2162 15.785  61.700    3.42   0.10   -1.29  0.50   
1 1 1 35 15 11 o 24.033  0.2495 22.417  -115.2000 -1.71  -0.89  0.15   -0.32  
1 1 1 35 15 12 o 3.8169  0.3896 4.1177  -113.5000 -0.07  0.51   0.03   0.03   
1 1 1 35 15 13 f 6.2812  0.3346 0.9429  -115.4000 -0.59  -1.05  0.03   -0.16  
1 1 1 35 15 14 o 6.8628  0.2693 5.1031  -67.7000  1.10   -0.49  -0.51  -0.02  
1 1 1 35 15 15 o 6.4308  0.3031 7.0075  16.900    -0.11  0.70   -0.27  0.35   
1 1 1 35 15 16 o 1.2369  0.8315 0.6598  135.000   0.02   0.10   0.00   0.00   
1 1 1 35 15 17 o 10.260  0.6086 10.424  63.300    1.18   3.90   0.50   -0.01  
1 1 1 35 15 18 o 7.0106  0.3047 5.7262  -178.9000 0.09   -0.19  -0.01  0.00   
1 1 1 35 15 19 o 11.361  0.2511 11.990  51.400    0.74   0.54   0.10   0.04   
1 1 1 35 15 20 o 13.420  0.2499 14.002  -169.9000 -1.29  -1.73  0.24   0.18   
1 1 1 35 15 21 o 6.9786  0.5186 ?       ?         -0.04  -1.23  -0.01  0.08   
1 1 1 35 15 22 o 10.695  0.4444 ?       ?         -0.91  1.10   0.03   -0.03  
1 1 1 35 15 23 o 4.7030  0.7799 ?       ?         -0.37  -0.64  0.00   0.02   
1 1 1 35 15 24 o 0.0000  2.7266 ?       ?         -0.59  0.02   0.02   -0.01  
1 1 1 35 16 0  o 19.857  0.1698 18.399  -0.1000   0.29   0.00   0.00   0.00   
1 1 1 35 16 1  o 21.118  0.6715 16.928  84.000    -4.74  14.44  2.63   1.52   
1 1 1 35 16 2  o 6.6202  0.3953 4.6846  89.100    4.43   3.80   -0.28  -1.24  
1 1 1 35 16 3  o 17.469  0.3756 17.226  -40.3000  0.47   -9.22  3.11   -0.20  
1 1 1 35 16 4  o 9.2726  0.1506 9.5445  -29.8000  -0.00  -0.96  0.72   0.37   
1 1 1 35 16 5  o 8.9768  0.1369 6.3252  -144.6000 0.23   0.23   1.12   0.55   
1 1 1 35 16 6  o 4.0941  0.2560 4.5556  143.500   -0.51  1.07   0.14   0.24   
1 1 1 35 16 7  o 15.476  0.1334 13.515  131.800   -0.32  0.09   0.32   0.04   
1 1 1 35 16 8  o 12.206  0.1442 13.729  148.500   -0.88  -0.33  -0.06  -0.51  
1 1 1 35 16 9  o 18.059  0.2558 15.798  -36.1000  -0.20  -2.75  0.49   -0.33  
1 1 1 35 16 10 o 13.658  0.1853 11.394  105.700   0.13   1.73   0.47   0.22   
1 1 1 35 16 11 o 9.8953  0.4423 9.3710  -123.9000 -1.54  -2.50  0.28   -0.28  
1 1 1 35 16 12 o 10.943  0.1821 11.029  147.900   0.29   -0.14  0.11   0.04   
1 1 1 35 16 13 o 5.4552  0.3169 6.6218  -143.2000 -0.07  -0.07  0.01   0.03   
1 1 1 35 16 14 o 17.564  0.3903 19.368  -126.3000 0.03   -3.60  0.47   0.30   
1 1 1 35 16 15 o 5.6585  0.3259 5.5787  -13.1000  0.24   0.32   -0.14  0.09   
1 1 1 35 16 16 o 6.5838  0.3000 7.2798  -40.9000  -0.10  -0.67  0.06   0.17   
1 1 1 35 16 17 o 2.8658  0.5429 3.2824  52.600    0.02   0.27   -0.06  -0.03  
1 1 1 35 16 18 o 2.3041  0.6659 1.3457  164.600   0.20   -0.01  0.00   -0.02  
1 1 1 35 16 19 o 7.3045  0.3199 7.8989  -125.8000 -0.31  -0.84  -0.18  0.01   
1 1 1 35 16 20 o 4.6166  0.5283 ?       ?         0.24   0.02   0.01   0.01   
1 1 1 35 16 21 o 0.4316  0.9016 ?       ?         -0.10  -0.17  -0.00  0.01   
1 1 1 35 16 22 o 4.3793  0.7441 ?       ?         0.16   0.23   -0.00  0.00   
1 1 1 35 16 23 o 4.5990  0.7200 ?       ?         1.04   0.56   0.03   -0.00  
1 1 1 35 16 24 o 7.9035  0.5550 ?       ?         -0.88  -0.59  -0.01  0.01   
1 1 1 35 17 0  o 1.9494  0.4318 2.9128  178.600   0.01   0.00   0.00   0.00   
1 1 1 35 17 1  o 6.5910  0.2311 8.6365  -160.6000 -1.35  -0.56  -0.15  -0.19  
1 1 1 35 17 2  o 7.6108  0.3152 7.1133  -84.3000  -0.24  -6.22  2.22   0.05   
1 1 1 35 17 3  o 4.8025  0.1988 5.8557  170.400   -0.03  -0.20  0.17   0.07   
1 1 1 35 17 4  o 34.097  0.1780 34.760  -67.7000  -1.14  -1.08  -1.24  0.39   
1 1 1 35 17 5  o 10.989  0.1404 10.895  -142.5000 -0.22  -0.86  0.13   -0.13  
1 1 1 35 17 6  o 8.4788  0.1504 6.6357  -20.6000  -0.01  -0.09  -0.07  0.04   
1 1 1 35 17 7  o 10.164  0.2314 7.0160  99.700    0.23   1.01   0.14   -0.02  
1 1 1 35 17 8  f 10.929  0.1698 7.3945  -102.5000 0.18   -0.42  0.36   -0.45  
1 1 1 35 17 9  o 11.430  0.1551 12.806  8.1000    -0.31  0.47   0.09   0.05   
1 1 1 35 17 10 o 19.760  0.1428 19.197  -26.8000  1.25   -0.85  1.00   -1.97  
1 1 1 35 17 11 o 5.6402  0.5703 6.8894  -37.8000  1.03   1.12   0.03   -0.10  
1 1 1 35 17 12 o 13.825  0.2011 11.000  33.700    0.01   0.73   0.05   -0.06  
1 1 1 35 17 13 o 12.116  0.1862 11.302  -7.2000   0.69   0.27   0.00   -0.12  
1 1 1 35 17 14 o 10.239  0.3686 9.5260  110.600   -1.58  1.15   -0.23  0.17   
1 1 1 35 17 15 o 9.5888  0.2185 10.254  69.200    -0.37  0.57   -0.16  0.07   
1 1 1 35 17 16 f 9.3855  0.3386 7.7699  34.000    0.34   0.39   -0.01  -0.02  
1 1 1 35 17 17 o 8.4073  0.2654 9.5769  -75.1000  0.81   -1.04  -0.26  0.12   
1 1 1 35 17 18 o 10.611  0.2368 12.406  -174.5000 -0.67  0.13   0.05   0.05   
1 1 1 35 17 19 o 14.574  0.2436 15.735  80.900    -0.90  2.11   -0.40  -0.24  
1 1 1 35 17 20 f 3.7019  0.6119 ?       ?         0.35   -0.03  0.02   0.00   
1 1 1 35 17 21 o 2.9128  0.9211 ?       ?         0.23   0.04   0.00   0.00   
1 1 1 35 17 22 o 11.355  0.3904 ?       ?         -2.36  -0.17  0.09   0.08   
1 1 1 35 17 23 o 3.0796  0.9610 ?       ?         0.68   -0.41  0.02   -0.02  
1 1 1 35 18 0  o 4.0125  0.4055 3.5286  0.2000    -0.02  0.00   0.00   0.00   
1 1 1 35 18 1  o 6.8726  0.1572 1.3241  95.300    0.06   0.19   -0.94  0.27   
1 1 1 35 18 2  o 5.7010  0.1557 2.8724  113.500   -0.88  -1.42  0.34   -3.23  
1 1 1 35 18 3  o 24.032  0.2411 26.892  -178.6000 -3.53  -1.81  -0.30  -1.26  
1 1 1 35 18 4  o 18.065  0.2394 21.869  -114.5000 -3.38  -1.08  -1.01  -0.34  
1 1 1 35 18 5  o 23.987  0.3486 23.987  178.500   -5.25  2.74   -0.33  1.91   
1 1 1 35 18 6  o 11.344  0.1623 8.8053  -23.2000  -0.11  1.78   2.27   -2.47  
1 1 1 35 18 7  o 21.285  0.1401 19.611  -102.1000 -1.31  -0.95  -1.12  -0.12  
1 1 1 35 18 8  o 8.6528  0.1677 8.7495  -108.5000 0.96   -1.45  -0.02  0.77   
1 1 1 35 18 9  o 13.882  0.2674 13.534  -175.2000 -0.40  1.36   0.09   0.14   
1 1 1 35 18 10 o 6.8355  0.2211 6.7597  66.200    -0.32  0.04   -0.05  -0.03  
1 1 1 35 18 11 o 4.9443  0.3019 4.7690  -13.6000  0.08   -0.05  0.01   0.01   
1 1 1 35 18 12 o 10.604  0.5062 7.9870  -173.8000 -4.57  -2.10  -0.32  -0.71  
1 1 1 35 18 13 o 13.106  0.3634 12.788  -33.6000  3.98   0.72   -0.60  -0.62  
1 1 1 35 18 14 o 6.8799  0.5026 5.4170  29.700    1.94   0.65   -0.12  -0.22  
1 1 1 35 18 15 o 6.1255  0.5063 8.8601  -60.6000  1.23   -0.49  -0.11  0.03   
1 1 1 35 18 16 o 7.9620  0.2657 8.1671  -106.3000 -0.15  0.82   0.09   -0.07  
1 1 1 35 18 17 o 7.6787  0.2792 7.8182  10.700    -0.22  0.52   -0.08  -0.11  
1 1 1 35 18 18 o 8.7326  0.2654 7.6948  -98.4000  0.25   -0.64  -0.11  -0.03  
1 1 1 35 18 19 f 5.2890  0.4451 7.1143  97.100    -0.18  0.50   0.02   -0.02  
1 1 1 35 18 20 o 8.1162  0.3507 ?       ?         1.56   1.25   0.26   0.11   
1 1 1 35 18 21 o 5.0092  0.6686 ?       ?         0.01   0.50   -0.01  0.01   
1 1 1 35 18 22 o 4.7364  0.7282 ?       ?         0.25   0.07   0.00   0.00   
1 1 1 35 18 23 o 3.5326  0.8773 ?       ?         0.29   0.62   -0.01  0.01   
1 1 1 35 19 0  o 19.032  0.2156 20.558  -0.1000   0.53   0.00   0.00   0.00   
1 1 1 35 19 1  o 14.582  0.1424 12.389  -57.3000  0.07   -0.16  -0.12  0.03   
1 1 1 35 19 2  o 12.744  0.1760 8.6285  86.400    -2.47  0.21   -2.28  -0.86  
1 1 1 35 19 3  o 11.848  0.1913 12.248  -147.4000 -2.47  0.66   -0.81  0.24   
1 1 1 35 19 4  o 6.7758  0.1887 10.220  -5.6000   3.03   0.17   -1.51  -0.44  
1 1 1 35 19 5  o 14.506  0.2629 15.977  -168.6000 2.09   0.66   -0.26  -0.36  
1 1 1 35 19 6  o 6.9571  0.1891 5.1394  -23.9000  -1.44  -0.98  -0.61  -0.68  
1 1 1 35 19 7  o 4.8669  0.2428 2.6226  -86.9000  -0.15  -0.40  0.04   -0.32  
1 1 1 35 19 8  o 10.132  0.5861 8.4868  -101.4000 -3.21  -12.17 2.48   -1.02  
1 1 1 35 19 9  o 7.7828  0.1896 8.2121  88.100    -0.14  -0.07  0.01   -0.02  
1 1 1 35 19 10 o 10.320  0.2635 9.0984  88.600    -1.09  1.41   0.24   0.25   
1 1 1 35 19 11 f 11.864  0.1669 11.971  77.000    0.54   0.42   -0.27  0.01   
1 1 1 35 19 12 o 3.6725  0.3974 2.2687  -117.8000 -0.03  -0.64  0.06   0.02   
1 1 1 35 19 13 f 8.1847  0.2298 6.5990  52.600    0.04   0.09   -0.00  -0.00  
1 1 1 35 19 14 o 12.693  0.2729 12.039  154.600   -2.04  0.64   -0.47  -0.15  
1 1 1 35 19 15 o 11.364  0.2025 11.972  156.300   -0.48  -0.90  0.20   0.20   
1 1 1 35 19 16 o 6.6277  0.3040 6.3224  -114.9000 0.40   -0.38  -0.09  -0.03  
1 1 1 35 19 17 o 1.4170  0.8516 2.2596  37.100    -0.16  0.03   -0.00  -0.02  
1 1 1 35 19 18 o 9.3667  0.2783 10.267  -77.4000  -0.01  0.30   -0.01  0.00   
1 1 1 35 19 19 o 8.8539  0.3173 8.7131  -114.8000 -0.41  -0.48  -0.01  0.05   
1 1 1 35 19 20 o 12.682  0.6174 ?       ?         1.62   0.54   0.04   -0.06  
1 1 1 35 19 21 o 7.0347  0.4619 ?       ?         -0.52  -0.35  0.01   0.02   
1 1 1 35 19 22 o 9.4562  0.4385 ?       ?         0.06   -0.31  -0.00  -0.00  
1 1 1 35 19 23 o 5.4654  0.6843 ?       ?         0.08   0.50   -0.00  0.00   
1 1 1 35 20 0  f 1.5811  0.6807 3.7532  -179.9000 -0.01  0.00   0.00   0.00   
1 1 1 35 20 1  o 8.0455  0.1647 10.283  102.000   -0.69  0.58   -0.18  0.32   
1 1 1 35 20 2  o 8.9482  0.2163 10.586  -148.6000 -1.95  -1.37  -0.39  -0.63  
1 1 1 35 20 3  o 11.114  0.3699 10.699  107.300   3.93   4.86   0.07   -1.69  
1 1 1 35 20 4  o 10.886  0.1778 12.822  29.600    2.37   -0.44  -0.78  0.64   
1 1 1 35 20 5  o 5.8921  0.1775 3.5357  -12.7000  1.00   0.69   -0.03  -0.41  
1 1 1 35 20 6  o 6.1074  0.1842 5.8097  -141.5000 -0.08  -0.03  0.07   0.06   
1 1 1 35 20 7  o 10.368  0.1491 8.7423  164.400   -0.22  1.23   0.28   0.35   
1 1 1 35 20 8  o 5.5394  0.2389 4.4137  109.400   -0.92  -0.02  -0.66  0.90   
1 1 1 35 20 9  o 5.5631  0.2347 5.3162  -165.4000 -0.56  -0.36  0.86   -0.34  
1 1 1 35 20 10 o 9.8051  0.2542 10.542  110.100   -0.92  1.32   0.21   0.19   
1 1 1 35 20 11 o 12.579  0.1728 11.779  87.800    -0.09  -0.89  0.01   -0.32  
1 1 1 35 20 12 o 6.3341  0.2755 7.6905  -122.9000 -0.21  0.46   0.23   -0.15  
1 1 1 35 20 13 o 3.1155  0.4665 5.0057  179.700   -0.19  0.25   0.01   0.01   
1 1 1 35 20 14 o 11.833  0.1947 12.658  161.300   -0.49  0.25   -0.05  -0.02  
1 1 1 35 20 15 o 7.0922  0.2774 6.0878  70.600    0.60   0.30   0.26   0.09   
1 1 1 35 20 16 o 7.2089  0.5678 6.5422  42.700    2.69   -0.23  -0.23  0.23   
1 1 1 35 20 17 o 6.3576  0.4034 7.7507  -9.9000   1.14   0.46   0.03   -0.14  
1 1 1 35 20 18 o 13.828  0.6789 14.595  -14.9000  1.33   1.40   -0.06  -0.05  
1 1 1 35 20 19 o 12.077  0.2568 12.244  -147.2000 -1.97  1.10   0.20   -0.46  
1 1 1 35 20 20 o 8.8144  0.4544 ?       ?         -0.18  0.26   -0.00  -0.00  
1 1 1 35 20 21 o 6.9323  0.4974 ?       ?         0.39   0.12   0.00   0.00   
1 1 1 35 20 22 o 8.4717  0.4538 ?       ?         1.55   0.26   0.06   -0.01  
1 1 1 35 20 23 o 7.0171  0.7250 ?       ?         -0.51  -0.29  -0.00  0.00   
1 1 1 35 21 0  o 31.142  0.2564 30.913  180.000   -0.34  0.00   0.00   0.00   
1 1 1 35 21 1  o 16.169  0.3578 16.953  -168.0000 -8.28  3.98   -1.59  3.73   
1 1 1 35 21 2  o 13.922  0.4398 13.400  -57.0000  3.02   -4.37  0.49   0.79   
1 1 1 35 21 3  o 9.5055  0.1568 7.2100  140.700   -1.92  -0.33  -0.95  -0.98  
1 1 1 35 21 4  o 10.804  0.1754 11.475  94.600    -2.42  1.68   -1.30  1.36   
1 1 1 35 21 5  o 17.723  0.1443 18.227  -59.3000  0.65   0.77   0.19   -0.16  
1 1 1 35 21 6  o 5.5683  0.1977 5.4048  4.3000    -0.05  0.04   -0.00  0.00   
1 1 1 35 21 7  o 8.2758  0.1807 8.5701  117.700   0.71   1.09   -0.10  -0.66  
1 1 1 35 21 8  o 8.7401  0.1621 9.2947  -161.6000 0.72   -0.01  -0.13  -0.08  
1 1 1 35 21 9  o 8.2603  0.3908 7.5558  -33.2000  3.58   -1.33  -0.43  0.71   
1 1 1 35 21 10 o 17.465  0.3884 18.958  -122.0000 2.22   -6.67  0.86   1.74   
1 1 1 35 21 11 f 4.4602  0.3855 1.8743  102.200   -0.02  0.37   0.01   0.01   
1 1 1 35 21 12 f 7.6831  0.2436 7.2987  -41.9000  -0.91  0.58   0.03   0.18   
1 1 1 35 21 13 o 4.2560  0.4518 2.2581  -31.0000  -0.39  0.50   0.03   0.03   
1 1 1 35 21 14 o 12.346  0.3001 9.7885  -70.8000  -1.58  0.19   -0.16  -0.11  
1 1 1 35 21 15 o 7.5921  0.2743 8.0683  -90.1000  -0.29  -0.43  -0.08  -0.03  
1 1 1 35 21 16 o 6.6722  0.3131 6.0765  75.000    0.17   -0.15  0.01   -0.01  
1 1 1 35 21 17 o 11.811  0.2094 14.277  155.400   -1.00  1.42   -0.31  -0.39  
1 1 1 35 21 18 o 2.6010  0.7388 3.1063  -34.7000  0.07   -0.00  0.00   -0.00  
1 1 1 35 21 19 o 9.0289  0.2971 ?       ?         -1.00  -0.89  0.07   0.12   
1 1 1 35 21 20 f 4.8348  2.1023 ?       ?         1.04   0.15   -0.01  -0.04  
1 1 1 35 21 21 o 8.1504  0.4526 ?       ?         0.89   -0.69  0.01   -0.03  
1 1 1 35 21 22 o 3.5594  0.8462 ?       ?         0.09   0.01   0.00   0.00   
1 1 1 35 21 23 o 1.9585  1.2365 ?       ?         0.15   -0.03  0.00   -0.00  
1 1 1 35 22 0  o 9.7622  0.2007 16.544  -180.0000 -0.20  0.00   0.00   0.00   
1 1 1 35 22 1  o 10.355  0.1625 8.6048  -47.1000  0.39   -0.70  -0.61  0.86   
1 1 1 35 22 2  o 13.718  0.1374 10.957  -83.0000  -0.16  -0.30  0.05   -0.01  
1 1 1 35 22 3  o 11.079  0.6695 7.1283  -108.3000 5.30   -6.94  0.16   1.04   
1 1 1 35 22 4  o 18.119  0.6909 14.716  -169.1000 -10.69 -1.34  -1.42  -0.12  
1 1 1 35 22 5  o 17.105  0.2986 17.706  7.0000    4.98   -0.94  -1.14  0.95   
1 1 1 35 22 6  o 13.554  0.2380 11.825  -124.8000 -3.48  -1.30  -1.16  -0.39  
1 1 1 35 22 7  o 13.990  0.1917 12.789  -133.3000 -1.62  2.61   -0.21  1.38   
1 1 1 35 22 8  o 4.3846  0.3608 2.2316  -168.0000 -1.15  0.25   -0.15  0.02   
1 1 1 35 22 9  o 7.9407  0.1902 6.3411  31.200    -0.32  0.47   -0.11  0.15   
1 1 1 35 22 10 o 16.445  0.3044 16.667  70.900    1.78   2.24   0.46   -0.34  
1 1 1 35 22 11 o 4.5769  0.3250 4.2224  170.700   -0.44  0.01   -0.03  0.01   
1 1 1 35 22 12 o 11.575  0.1784 13.364  42.200    0.74   -0.70  0.49   0.05   
1 1 1 35 22 13 o 2.6067  0.4970 2.8245  157.600   -0.09  0.10   0.00   0.00   
1 1 1 35 22 14 o 11.891  0.2230 11.532  176.400   -1.21  1.89   -0.44  0.45   
1 1 1 35 22 15 o 18.163  0.1636 19.478  -166.7000 -0.48  -0.46  0.04   0.03   
1 1 1 35 22 16 o 10.100  0.4291 10.238  150.000   -2.26  0.99   0.01   0.28   
1 1 1 35 22 17 o 10.559  0.2433 12.113  23.500    0.92   0.47   0.09   -0.05  
1 1 1 35 22 18 o 3.4395  0.6209 3.6979  96.700    -0.32  0.23   0.00   -0.03  
1 1 1 35 22 19 o 7.0817  0.5311 ?       ?         0.30   0.66   0.01   0.02   
1 1 1 35 22 20 o 2.9041  1.3717 ?       ?         -0.44  0.05   0.01   0.01   
1 1 1 35 22 21 o 10.450  0.3683 ?       ?         -0.45  0.10   0.01   -0.00  
1 1 1 35 22 22 o 3.8114  1.2464 ?       ?         -0.17  -0.61  -0.01  -0.00  
1 1 1 35 23 0  o 10.464  0.1600 15.669  180.000   -0.16  0.00   0.00   0.00   
1 1 1 35 23 1  o 10.791  0.1326 11.318  177.300   -0.17  0.78   0.16   0.48   
1 1 1 35 23 2  o 12.156  0.2284 14.479  -126.1000 -3.69  -1.30  -1.45  -0.55  
1 1 1 35 23 3  o 15.785  0.6198 16.989  166.400   -8.34  1.83   -0.90  0.61   
1 1 1 35 23 4  f 15.102  0.2376 17.263  179.200   -3.87  -0.42  -1.25  -0.90  
1 1 1 35 23 5  o 6.8675  0.2319 6.6114  88.000    -0.49  -1.44  0.25   -0.10  
1 1 1 35 23 6  o 17.744  0.2975 17.777  89.000    2.63   1.04   -0.43  -0.13  
1 1 1 35 23 7  o 17.038  0.1284 15.749  -89.4000  0.24   -0.27  0.02   -0.15  
1 1 1 35 23 8  o 6.3037  0.2336 5.6204  1.5000    0.21   -0.90  0.15   -0.00  
1 1 1 35 23 9  o 22.569  0.1522 22.019  -130.8000 -0.67  -0.47  0.20   0.11   
1 1 1 35 23 10 o 15.106  0.4031 13.215  68.400    3.01   3.11   -0.28  -0.64  
1 1 1 35 23 11 o 18.753  0.2648 17.630  -93.9000  -0.45  -3.52  0.81   0.43   
1 1 1 35 23 12 o 9.2435  0.2243 7.0846  -43.1000  -0.66  -0.98  -0.12  -0.20  
1 1 1 35 23 13 o 5.4261  0.3189 5.6613  -143.3000 -0.51  -0.10  -0.06  0.06   
1 1 1 35 23 14 o 5.7157  0.3125 6.2705  19.500    -0.04  -0.20  -0.03  -0.00  
1 1 1 35 23 15 f 4.8966  0.3767 3.7986  48.500    0.80   -0.20  0.03   0.14   
1 1 1 35 23 16 o 7.9716  0.2826 8.4225  -132.2000 0.09   -0.35  -0.02  -0.03  
1 1 1 35 23 17 o 2.3454  0.9523 1.3159  1.1000    0.09   0.16   0.01   0.00   
1 1 1 35 23 18 o 6.0898  0.3854 6.1779  -69.5000  -0.73  -0.77  -0.09  -0.01  
1 1 1 35 23 19 o 14.743  0.2678 ?       ?         1.92   -0.56  0.13   -0.08  
1 1 1 35 23 20 o 8.4799  0.4515 ?       ?         -1.06  -1.69  -0.01  0.12   
1 1 1 35 23 21 o 6.7187  0.5451 ?       ?         -0.33  0.30   -0.00  -0.01  
1 1 1 35 23 22 o 7.6410  0.5460 ?       ?         0.32   1.72   -0.03  0.00   
1 1 1 35 24 0  o 4.3012  0.6235 5.3716  179.900   -0.11  0.00   0.00   0.00   
1 1 1 35 24 1  o 14.023  0.2695 13.288  158.800   -0.72  0.73   0.84   -0.76  
1 1 1 35 24 2  o 21.301  0.5250 20.675  -123.9000 5.81   -6.27  -0.41  1.74   
1 1 1 35 24 3  o 8.8904  0.5900 8.6181  87.800    5.10   11.54  1.57   -1.41  
1 1 1 35 24 4  o 31.968  0.2462 31.307  111.500   0.73   2.04   -0.20  -0.38  
1 1 1 35 24 5  o 5.7384  0.2680 6.2590  -132.6000 0.24   -3.73  1.43   -0.17  
1 1 1 35 24 6  f 12.320  0.1297 13.294  99.100    0.49   0.44   0.60   0.48   
1 1 1 35 24 7  f 7.7176  0.2424 3.4655  94.700    -1.52  2.71   0.94   0.66   
1 1 1 35 24 8  o 14.390  0.5047 18.368  105.600   -8.98  3.71   -1.77  0.96   
1 1 1 35 24 9  o 7.9303  0.1885 5.1013  -102.6000 -0.26  -1.22  0.17   -0.37  
1 1 1 35 24 10 f 4.4971  0.3139 6.4389  70.900    -0.00  -0.12  -0.01  -0.03  
1 1 1 35 24 11 o 11.450  0.4216 11.138  136.000   -1.91  -0.19  -0.11  -0.08  
1 1 1 35 24 12 o 8.3869  0.2241 7.4652  -25.5000  1.28   -0.07  -0.14  -0.60  
1 1 1 35 24 13 o 14.360  0.1734 14.532  47.000    -0.05  1.03   -0.13  -0.21  
1 1 1 35 24 14 o 3.8244  0.4381 4.0438  111.400   -0.20  0.07   0.02   0.01   
1 1 1 35 24 15 o 5.6391  0.4118 4.3375  -135.0000 -0.30  -0.22  0.01   -0.01  
1 1 1 35 24 16 o 7.5541  0.2692 7.9116  -113.3000 0.13   -1.00  -0.12  0.18   
1 1 1 35 24 17 o 7.7326  0.3326 8.5584  -163.1000 -0.19  0.60   -0.02  0.03   
1 1 1 35 24 18 o 6.7151  0.3826 7.8885  -73.2000  -0.27  -0.58  -0.05  0.03   
1 1 1 35 24 19 o 4.8337  0.6376 ?       ?         -0.00  -0.70  -0.01  -0.02  
1 1 1 35 24 20 o 3.3779  0.9942 ?       ?         -0.36  0.09   -0.00  -0.01  
1 1 1 35 24 21 o 6.2832  0.5938 ?       ?         -0.83  -0.40  0.02   0.00   
1 1 1 35 24 22 o 4.9085  0.9406 ?       ?         -0.42  -0.23  -0.00  0.00   
1 1 1 35 25 0  o 16.541  0.2765 19.124  -179.9000 -0.84  0.00   0.00   0.00   
1 1 1 35 25 1  o 11.698  0.2476 9.8438  96.500    -0.92  0.88   -0.32  0.25   
1 1 1 35 25 2  o 7.9531  0.3926 6.5459  -138.4000 -1.13  -2.69  0.69   -0.29  
1 1 1 35 25 3  o 19.721  0.4318 17.844  153.800   -1.74  -2.46  0.19   -0.21  
1 1 1 35 25 4  o 10.519  0.3651 10.550  -146.9000 1.05   -0.99  0.02   0.08   
1 1 1 35 25 5  o 19.560  0.1672 17.113  69.100    0.56   1.15   -0.18  -0.29  
1 1 1 35 25 6  o 9.5597  0.3758 9.1837  -137.8000 -1.84  -0.89  -0.07  -0.20  
1 1 1 35 25 7  o 9.8720  0.1832 10.660  -72.2000  3.26   -1.30  -2.12  0.32   
1 1 1 35 25 8  o 17.371  0.4343 18.753  50.100    -0.50  5.82   0.80   0.51   
1 1 1 35 25 9  o 5.9210  0.2249 4.8433  124.300   0.12   0.48   -0.18  -0.31  
1 1 1 35 25 10 o 23.303  0.1541 23.374  62.300    1.05   0.79   0.42   0.33   
1 1 1 35 25 11 o 12.413  0.1667 10.560  -112.5000 0.36   -0.88  -0.47  0.23   
1 1 1 35 25 12 o 5.7509  0.2785 6.9242  -59.6000  -0.40  0.01   0.03   0.10   
1 1 1 35 25 13 o 3.6239  0.5082 0.9942  142.300   0.57   0.36   0.01   -0.05  
1 1 1 35 25 14 o 7.1417  0.2767 6.7789  5.7000    0.66   -0.37  -0.09  -0.03  
1 1 1 35 25 15 o 5.3058  0.4233 6.0125  74.100    1.53   0.82   -0.29  0.00   
1 1 1 35 25 16 o 7.1333  0.5090 7.1298  -137.3000 -0.71  -0.88  -0.05  -0.05  
1 1 1 35 25 17 o 14.355  0.2307 15.256  -109.1000 0.66   -2.07  -0.23  0.12   
1 1 1 35 25 18 o 2.3613  1.0964 ?       ?         0.02   0.20   -0.00  -0.01  
1 1 1 35 25 19 o 3.9894  0.7251 ?       ?         0.16   0.60   -0.02  0.01   
1 1 1 35 25 20 o 4.6847  0.6555 ?       ?         -0.37  -0.41  -0.00  0.01   
1 1 1 35 25 21 o 8.4835  0.4844 ?       ?         0.50   2.01   -0.07  0.02   
1 1 1 35 25 22 o 2.4910  1.2185 ?       ?         -0.06  -0.25  -0.00  -0.00  
1 1 1 35 26 0  o 7.6354  0.4331 8.0978  -0.0000   0.16   0.00   0.00   0.00   
1 1 1 35 26 1  o 13.741  0.2184 16.519  80.600    1.15   0.27   -0.22  0.07   
1 1 1 35 26 2  o 11.781  0.2208 13.835  3.8000    0.75   0.28   -0.26  0.31   
1 1 1 35 26 3  o 6.7781  0.3223 11.003  31.200    0.40   0.12   0.29   0.19   
1 1 1 35 26 4  o 19.920  0.4821 18.909  -102.7000 0.43   -2.75  0.15   0.14   
1 1 1 35 26 5  o 5.0282  0.2242 4.8042  -151.7000 0.11   -0.20  0.06   -0.03  
1 1 1 35 26 6  o 5.2578  0.3828 6.1930  120.500   -3.82  -0.05  -0.89  -0.25  
1 1 1 35 26 7  o 3.4458  0.2544 0.8296  35.600    0.07   0.91   0.18   -0.10  
1 1 1 35 26 8  f 5.5053  0.2523 4.1721  54.600    -0.63  -0.51  0.01   -0.08  
1 1 1 35 26 9  o 1.9352  0.6083 0.9814  59.200    -0.22  -0.16  -0.01  -0.02  
1 1 1 35 26 10 o 5.0875  0.2857 3.1844  18.500    0.04   -0.17  -0.01  0.03   
1 1 1 35 26 11 o 7.9284  0.2117 7.0906  -159.0000 -0.69  0.13   -0.10  -0.13  
1 1 1 35 26 12 o 4.4884  0.3316 4.3258  -133.1000 -0.07  -0.05  -0.00  0.00   
1 1 1 35 26 13 o 5.6240  0.3115 4.6738  -164.3000 0.51   0.24   0.19   0.03   
1 1 1 35 26 14 o 6.8407  0.2619 6.4513  -88.7000  -0.23  -1.71  0.03   -0.47  
1 1 1 35 26 15 o 11.821  0.2508 10.575  94.300    -1.67  0.65   0.18   0.19   
1 1 1 35 26 16 o 12.268  0.2379 11.541  -125.7000 -0.34  -1.51  -0.07  0.19   
1 1 1 35 26 17 o 3.3476  0.6619 3.2001  146.800   -0.94  -0.25  0.03   -0.10  
1 1 1 35 26 18 o 13.208  0.4055 ?       ?         2.63   -3.51  -0.51  -0.10  
1 1 1 35 26 19 o 3.9499  0.7576 ?       ?         0.02   -0.32  -0.00  -0.00  
1 1 1 35 26 20 o 4.7028  0.9822 ?       ?         0.34   0.20   0.00   -0.00  
1 1 1 35 26 21 o 4.8639  0.6800 ?       ?         -1.04  -0.20  0.01   0.00   
1 1 1 35 26 22 o 4.0527  1.8366 ?       ?         -0.76  -0.28  0.01   -0.01  
1 1 1 35 27 0  o 4.8166  0.6607 1.3334  179.800   0.08   0.00   0.00   0.00   
1 1 1 35 27 1  o 13.758  0.2301 16.304  63.200    2.02   0.80   -0.69  0.06   
1 1 1 35 27 2  o 13.843  0.2057 13.466  -157.8000 -1.60  -0.52  0.09   -0.70  
1 1 1 35 27 3  o 11.098  0.2437 13.652  -79.8000  1.74   0.51   -0.10  -0.65  
1 1 1 35 27 4  o 12.586  0.3672 13.194  30.700    0.95   1.40   0.13   -0.10  
1 1 1 35 27 5  o 5.6045  0.4071 4.3493  124.100   0.30   1.53   0.27   0.03   
1 1 1 35 27 6  o 6.7185  0.4827 6.6758  -129.5000 -4.03  -0.56  -0.46  -0.05  
1 1 1 35 27 7  o 7.8239  0.2733 5.0670  72.100    0.70   -1.44  0.06   0.19   
1 1 1 35 27 8  o 9.4145  0.1581 9.9960  25.900    -0.73  1.34   0.87   0.04   
1 1 1 35 27 9  o 8.5842  0.1748 8.3932  93.400    -0.72  -0.65  0.51   -0.27  
1 1 1 35 27 10 o 2.8125  0.4298 3.4033  87.000    0.07   0.10   0.02   0.01   
1 1 1 35 27 11 o 12.461  0.1661 11.795  38.000    1.61   -0.69  0.79   0.37   
1 1 1 35 27 12 o 7.0658  0.2518 7.9479  99.100    -0.33  1.23   -0.13  0.40   
1 1 1 35 27 13 o 4.7327  0.3391 4.2824  158.300   -0.40  -0.05  0.12   0.01   
1 1 1 35 27 14 o 12.371  0.1905 13.086  -61.6000  0.46   -0.32  0.05   -0.04  
1 1 1 35 27 15 f 9.1593  0.2364 8.2023  130.500   -0.70  0.70   0.09   -0.18  
1 1 1 35 27 16 o 3.7665  0.5707 4.3114  56.100    0.26   0.20   0.01   -0.00  
1 1 1 35 27 17 o 4.3126  0.5119 4.3820  -17.9000  -0.11  0.16   -0.00  0.00   
1 1 1 35 27 18 o 5.1775  0.5762 ?       ?         -0.46  0.64   -0.01  -0.03  
1 1 1 35 27 19 f 7.0373  0.4773 ?       ?         -0.62  -0.55  0.01   0.02   
1 1 1 35 27 20 o 5.2544  0.6427 ?       ?         -0.59  -0.24  0.00   0.01   
1 1 1 35 27 21 o 4.5462  0.7635 ?       ?         -0.39  -0.70  -0.01  0.00   
1 1 1 35 28 0  o 23.478  0.2965 22.704  0.0000    1.32   0.00   0.00   0.00   
1 1 1 35 28 1  o 7.2860  0.4958 6.1340  -32.5000  0.35   -2.10  0.32   -0.07  
1 1 1 35 28 2  o 10.879  0.3933 10.593  145.200   -1.12  0.84   -0.11  0.08   
1 1 1 35 28 3  o 8.8904  0.4718 8.6180  -20.8000  3.26   0.21   -0.58  0.23   
1 1 1 35 28 4  o 6.9607  0.3309 6.4931  -5.3000   -0.29  0.18   -0.06  -0.03  
1 1 1 35 28 5  f 4.0580  1.4509 2.2103  48.500    0.48   -1.08  0.03   0.05   
1 1 1 35 28 6  o 13.610  0.1318 13.170  97.000    -0.30  0.20   -0.04  -0.08  
1 1 1 35 28 7  o 14.299  0.1328 13.336  -156.4000 -0.60  -0.99  -0.73  -0.06  
1 1 1 35 28 8  o 17.453  0.3291 15.498  -90.9000  3.92   -3.15  -0.69  0.76   
1 1 1 35 28 9  o 15.408  0.2208 13.899  97.500    -0.40  -0.04  -0.01  -0.01  
1 1 1 35 28 10 f 5.2463  0.5244 4.5679  -105.0000 0.65   -1.11  0.01   0.08   
1 1 1 35 28 11 o 10.424  0.1745 11.870  -158.2000 -1.56  0.26   0.33   0.71   
1 1 1 35 28 12 o 5.3676  0.2959 4.8218  161.900   0.01   0.34   -0.05  -0.05  
1 1 1 35 28 13 o 6.5462  0.4518 6.4851  -130.0000 0.13   0.00   -0.00  0.00   
1 1 1 35 28 14 o 6.1351  0.2840 5.2430  80.000    0.11   0.16   0.00   0.00   
1 1 1 35 28 15 o 4.0859  0.9356 4.5422  39.600    -0.33  0.60   -0.00  0.02   
1 1 1 35 28 16 o 4.3205  0.5004 5.8587  1.0000    -0.27  0.49   -0.03  0.01   
1 1 1 35 28 17 o 3.8898  0.5898 ?       ?         0.26   -0.34  -0.01  -0.01  
1 1 1 35 28 18 o 4.9906  0.5779 ?       ?         -0.20  -0.52  -0.01  0.00   
1 1 1 35 28 19 o 6.1457  0.5591 ?       ?         -0.66  -0.34  0.01   -0.00  
1 1 1 35 28 20 o 4.4069  0.7720 ?       ?         -0.28  0.23   -0.00  -0.00  
1 1 1 35 28 21 o 5.7808  0.6482 ?       ?         -0.64  1.00   -0.02  0.00   
1 1 1 35 29 0  o 5.1478  0.6808 1.7091  180.000   0.11   0.00   0.00   0.00   
1 1 1 35 29 1  o 9.6768  0.4524 10.580  -90.8000  3.34   -2.81  -0.70  0.83   
1 1 1 35 29 2  o 15.084  0.5071 12.374  160.400   -4.31  1.23   -0.72  -0.04  
1 1 1 35 29 3  o 13.965  0.2136 13.924  139.000   -0.20  0.46   -0.11  -0.08  
1 1 1 35 29 4  o 6.7820  0.3559 6.1108  -128.0000 -0.04  -0.25  0.01   0.02   
1 1 1 35 29 5  o 17.032  0.3921 18.114  -43.3000  2.12   4.09   0.83   -0.25  
1 1 1 35 29 6  o 8.9131  0.3862 9.8151  18.600    -1.16  0.41   -0.04  0.06   
1 1 1 35 29 7  o 10.669  0.5089 12.209  98.900    9.29   3.11   -1.88  -0.78  
1 1 1 35 29 8  o 10.527  0.1339 9.6002  -97.6000  0.56   -0.47  -0.37  -0.37  
1 1 1 35 29 9  o 4.4903  0.2707 3.5732  8.3000    0.25   0.07   -0.03  0.05   
1 1 1 35 29 10 o 6.9812  0.2704 4.5421  9.0000    0.69   -1.56  -0.00  0.34   
1 1 1 35 29 11 o 4.6228  0.3231 3.6578  172.500   0.36   -0.45  0.11   -0.00  
1 1 1 35 29 12 o 14.650  0.4294 14.210  -160.2000 -4.15  -5.52  1.11   -0.73  
1 1 1 35 29 13 o 3.1638  0.4878 1.6797  -68.2000  -0.19  0.17   0.02   -0.02  
1 1 1 35 29 14 o 10.074  0.2203 10.158  -13.6000  1.16   0.85   0.05   0.37   
1 1 1 35 29 15 o 2.1663  0.7631 1.9450  61.200    0.25   -0.09  -0.01  -0.02  
1 1 1 35 29 16 o 4.7667  0.6583 4.9347  65.100    1.50   0.54   -0.11  0.04   
1 1 1 35 29 17 o 5.8240  0.8454 ?       ?         -0.91  0.48   -0.03  -0.01  
1 1 1 35 29 18 o 7.8287  0.4444 ?       ?         -0.47  0.49   -0.01  -0.01  
1 1 1 35 29 19 o 8.4088  0.5071 ?       ?         -0.93  -0.80  0.02   0.01   
1 1 1 35 29 20 o 7.7352  1.0524 ?       ?         0.63   1.29   0.01   0.01   
1 1 1 35 29 21 f 2.9168  0.9978 ?       ?         0.39   -0.69  -0.00  -0.01  
1 1 1 35 30 0  o 20.179  0.2979 20.210  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 35 30 1  o 11.493  0.2880 9.1107  -28.2000  0.67   -0.30  -0.06  -0.19  
1 1 1 35 30 2  o 12.795  0.2429 12.296  -80.5000  0.20   -0.58  -0.17  -0.07  
1 1 1 35 30 3  o 6.0543  0.7175 7.6208  121.500   -0.09  3.08   0.43   -0.21  
1 1 1 35 30 4  o 4.0891  1.4849 1.8589  147.300   -2.28  -0.20  -0.18  0.00   
1 1 1 35 30 5  o 13.522  0.2349 10.436  176.600   -1.31  -0.67  0.53   -0.21  
1 1 1 35 30 6  o 12.441  0.1889 13.768  170.900   -0.12  -1.39  -0.60  0.80   
1 1 1 35 30 7  o 9.2200  0.2178 8.1755  128.200   -0.71  2.20   0.22   0.54   
1 1 1 35 30 8  o 6.5030  0.1660 5.1888  159.600   -0.05  0.62   0.01   -0.33  
1 1 1 35 30 9  o 7.5788  0.1955 7.2883  102.600   -0.07  1.91   0.42   -0.40  
1 1 1 35 30 10 o 14.892  0.1443 14.329  -39.8000  1.32   0.07   0.30   -0.22  
1 1 1 35 30 11 o 6.5113  0.2391 7.2786  -7.7000   1.35   0.83   0.30   -0.38  
1 1 1 35 30 12 o 8.0582  0.2185 8.7114  59.000    -0.20  0.89   -0.10  0.15   
1 1 1 35 30 13 o 4.6856  0.3517 2.6787  -45.5000  0.46   -0.41  -0.10  -0.05  
1 1 1 35 30 14 o 2.6328  1.2067 3.4318  108.100   -0.05  0.39   0.02   -0.02  
1 1 1 35 30 15 o 3.7000  0.6323 3.0458  23.000    0.59   -0.32  0.02   0.03   
1 1 1 35 30 16 o 3.0349  0.6002 2.8936  -63.2000  -0.08  -0.22  -0.01  0.01   
1 1 1 35 30 17 o 7.1726  0.4440 ?       ?         0.49   1.03   -0.02  0.06   
1 1 1 35 30 18 o 4.9884  0.6317 ?       ?         -0.03  0.73   -0.01  0.01   
1 1 1 35 30 19 o 3.8583  0.7389 ?       ?         -0.27  0.40   -0.00  -0.01  
1 1 1 35 30 20 o 5.3045  0.6589 ?       ?         0.08   0.40   -0.00  0.00   
1 1 1 35 31 0  o 10.602  0.4040 12.479  0.0000    0.16   0.00   0.00   0.00   
1 1 1 35 31 1  o 18.701  0.7209 20.211  -172.9000 -3.47  -0.66  -0.21  0.05   
1 1 1 35 31 2  o 4.5019  0.7607 5.7385  139.500   0.82   1.60   0.16   -0.09  
1 1 1 35 31 3  o 8.0666  0.3571 7.8147  15.800    -0.04  0.13   -0.01  -0.00  
1 1 1 35 31 4  o 4.9988  0.3943 5.4142  52.400    0.32   0.18   -0.03  -0.01  
1 1 1 35 31 5  o 12.716  0.5953 12.627  73.600    0.33   3.33   0.22   -0.16  
1 1 1 35 31 6  o 8.8532  0.2337 7.0448  86.000    -0.48  -1.15  0.30   0.57   
1 1 1 35 31 7  o 8.7326  0.1744 7.2933  -22.2000  1.99   -0.16  -0.37  0.55   
1 1 1 35 31 8  o 6.2636  0.3241 6.5246  122.800   0.17   0.99   0.07   0.01   
1 1 1 35 31 9  o 11.381  0.2130 9.2716  -132.0000 -0.56  1.10   -0.05  0.15   
1 1 1 35 31 10 o 5.3415  0.2560 6.7105  -178.1000 -0.84  0.42   -0.10  -0.66  
1 1 1 35 31 11 o 13.216  0.2287 13.912  -138.9000 -1.97  -1.09  0.32   -0.25  
1 1 1 35 31 12 o 3.6451  0.3931 3.8557  -129.2000 0.29   -0.15  0.01   -0.05  
1 1 1 35 31 13 o 6.4527  0.2809 8.2490  -169.3000 -0.31  0.43   -0.05  0.01   
1 1 1 35 31 14 o 5.2114  0.3996 4.9716  -131.6000 -0.84  -0.27  0.01   0.12   
1 1 1 35 31 15 o 4.4038  0.4651 4.7767  71.000    0.48   -0.02  0.01   -0.02  
1 1 1 35 31 16 o 4.7010  0.4791 ?       ?         -0.21  -0.43  0.00   0.02   
1 1 1 35 31 17 o 3.6097  0.7380 ?       ?         0.55   0.32   0.02   0.00   
1 1 1 35 31 18 o 4.2749  1.9122 ?       ?         1.11   -0.49  -0.04  -0.03  
1 1 1 35 31 19 o 2.6091  0.9638 ?       ?         0.50   -0.14  0.01   -0.01  
1 1 1 35 31 20 o 7.3391  0.6494 ?       ?         0.44   -1.38  -0.00  -0.01  
1 1 1 35 32 0  o 13.274  0.3557 12.350  180.000   -0.08  0.00   0.00   0.00   
1 1 1 35 32 1  o 5.4632  0.3843 3.0128  89.400    -0.03  0.71   0.07   -0.15  
1 1 1 35 32 2  o 5.0733  0.5003 3.9291  -149.5000 -1.17  -0.05  -0.12  0.10   
1 1 1 35 32 3  o 1.6390  0.9072 3.6405  -30.1000  -0.23  0.35   0.03   0.02   
1 1 1 35 32 4  o 6.8381  0.3952 6.5410  25.200    1.18   1.23   -0.20  -0.23  
1 1 1 35 32 5  o 6.2175  0.3864 7.3318  -128.2000 -0.39  -1.22  -0.04  -0.28  
1 1 1 35 32 6  o 4.5913  0.4665 4.3613  154.000   -0.20  -0.32  -0.03  -0.02  
1 1 1 35 32 7  o 10.660  0.2366 9.6841  38.400    0.09   -1.44  0.12   0.18   
1 1 1 35 32 8  f 6.0357  0.1785 5.6266  -68.1000  0.06   0.05   -0.00  0.01   
1 1 1 35 32 9  o 6.7183  0.6202 4.2996  -175.9000 -5.19  -1.10  -0.41  -0.36  
1 1 1 35 32 10 o 11.444  0.1533 11.156  173.100   0.97   2.16   0.74   0.47   
1 1 1 35 32 11 o 4.5000  0.3235 4.2977  143.800   -0.09  0.27   -0.04  0.01   
1 1 1 35 32 12 o 9.0165  0.4969 9.6460  50.700    1.84   0.31   -0.05  -0.10  
1 1 1 35 32 13 f 3.4818  0.4831 2.1419  144.400   -0.59  0.14   0.02   0.05   
1 1 1 35 32 14 o 1.7224  0.8430 1.2218  142.500   -0.09  -0.03  0.00   -0.00  
1 1 1 35 32 15 o 8.5338  0.2721 9.8686  68.100    0.36   1.18   -0.15  0.03   
1 1 1 35 32 16 o 5.3864  0.4859 ?       ?         -0.56  -0.27  0.02   0.01   
1 1 1 35 32 17 o 4.6047  0.6005 ?       ?         0.38   -0.10  0.00   -0.00  
1 1 1 35 32 18 o 6.4008  0.5748 ?       ?         -0.02  -0.24  -0.00  0.00   
1 1 1 35 32 19 o 10.024  0.4747 ?       ?         -3.18  -1.48  0.05   0.04   
1 1 1 35 32 20 o 5.3938  0.8512 ?       ?         0.43   0.11   -0.00  -0.00  
1 1 1 35 33 0  o 11.229  0.3621 13.317  -180.0000 -0.71  0.00   0.00   0.00   
1 1 1 35 33 1  o 5.2782  0.4722 5.3193  50.200    -0.28  0.37   -0.11  -0.07  
1 1 1 35 33 2  o 9.0458  0.2849 7.4842  -107.0000 0.47   0.44   -0.11  0.01   
1 1 1 35 33 3  o 7.2045  0.3802 8.4124  58.000    -0.38  0.61   0.12   -0.09  
1 1 1 35 33 4  o 4.5012  0.8901 4.3600  153.900   0.43   -0.08  -0.01  0.01   
1 1 1 35 33 5  o 7.4064  0.3440 7.8846  -97.4000  -0.15  -1.60  0.09   0.49   
1 1 1 35 33 6  o 4.5271  0.5275 3.9728  -174.5000 0.04   0.31   -0.01  0.03   
1 1 1 35 33 7  o 1.8986  0.4587 1.7334  -23.5000  0.04   -0.15  -0.03  -0.05  
1 1 1 35 33 8  f 2.2892  0.3847 0.9258  75.800    0.35   0.10   -0.07  0.08   
1 1 1 35 33 9  o 9.1366  0.1791 8.4526  56.900    -0.97  0.65   -0.16  0.04   
1 1 1 35 33 10 o 4.8981  0.2706 5.2222  38.800    0.29   -0.59  -0.07  0.08   
1 1 1 35 33 11 o 5.4404  0.2722 3.9935  12.400    0.37   0.17   0.04   0.06   
1 1 1 35 33 12 o 1.9074  0.8962 2.2366  -28.0000  0.67   0.24   0.00   -0.11  
1 1 1 35 33 13 o 0.7836  0.8266 1.5575  32.900    -0.10  0.17   0.01   -0.02  
1 1 1 35 33 14 o 9.5664  0.2351 9.4987  62.800    -0.82  0.65   0.09   -0.04  
1 1 1 35 33 15 o 3.7304  0.5804 ?       ?         -0.27  -0.05  0.01   0.00   
1 1 1 35 33 16 o 4.0728  0.6205 ?       ?         -0.56  -0.85  0.01   0.04   
1 1 1 35 33 17 o 1.9075  1.1443 ?       ?         -0.04  -0.14  -0.00  0.00   
1 1 1 35 33 18 o 4.1467  1.2758 ?       ?         0.09   -0.07  0.00   -0.00  
1 1 1 35 33 19 o 3.7271  1.3898 ?       ?         -0.23  -0.01  0.00   0.00   
1 1 1 35 34 0  o 11.389  0.3574 11.626  -180.0000 -0.83  0.00   0.00   0.00   
1 1 1 35 34 1  o 9.3629  0.7448 9.3686  146.800   -2.94  -1.53  -0.02  -0.29  
1 1 1 35 34 2  o 4.3751  0.4468 4.4159  -108.9000 0.10   -0.20  -0.02  0.01   
1 1 1 35 34 3  o 6.5151  0.4036 5.9186  24.500    0.92   -0.32  -0.10  -0.15  
1 1 1 35 34 4  o 3.6758  0.6260 4.5397  84.500    -0.22  0.27   -0.04  -0.01  
1 1 1 35 34 5  o 4.5699  0.4376 5.8519  31.000    0.15   -0.07  0.00   -0.01  
1 1 1 35 34 6  o 2.5345  1.1994 2.0034  125.700   0.36   0.41   -0.02  -0.04  
1 1 1 35 34 7  o 2.0389  0.4935 2.6416  -24.9000  0.02   0.04   -0.00  0.00   
1 1 1 35 34 8  o 5.4336  0.4814 4.0684  -16.0000  1.29   -2.55  0.27   0.15   
1 1 1 35 34 9  o 11.502  0.1408 12.182  18.600    1.62   0.34   0.54   0.34   
1 1 1 35 34 10 o 4.8883  0.2551 4.2500  67.100    0.37   0.67   -0.08  -0.09  
1 1 1 35 34 11 o 7.1696  0.4095 8.0282  123.100   -3.24  0.90   -0.51  -0.14  
1 1 1 35 34 12 o 2.5051  0.7501 1.5313  -136.4000 0.11   -0.21  0.01   -0.00  
1 1 1 35 34 13 o 4.7653  0.3651 4.1327  104.900   0.03   -0.08  -0.00  -0.00  
1 1 1 35 34 14 o 5.1095  0.3887 4.8773  129.600   0.61   0.14   0.04   -0.02  
1 1 1 35 34 15 o 6.8135  0.3910 ?       ?         -2.27  0.44   0.28   -0.01  
1 1 1 35 34 16 o 2.3248  1.1482 ?       ?         0.12   -0.08  -0.00  -0.00  
1 1 1 35 34 17 o 8.0189  0.6587 ?       ?         -1.78  -1.40  0.05   0.02   
1 1 1 35 34 18 o 5.3113  0.7589 ?       ?         -0.56  0.41   0.00   -0.00  
1 1 1 35 34 19 o 8.7477  0.8014 ?       ?         0.11   0.89   0.00   -0.00  
1 1 1 35 35 0  o 4.3474  0.9972 5.1123  180.000   0.00   0.00   0.00   0.00   
1 1 1 35 35 1  o 4.2426  0.7253 3.9690  -90.0000  0.00   0.28   0.00   0.00   
1 1 1 35 35 2  o 1.0000  1.2134 0.6570  180.000   -0.13  0.00   0.00   0.00   
1 1 1 35 35 3  o 0.0000  2.3875 2.3886  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 35 35 4  o 11.987  0.3681 13.219  0.0000    0.36   0.00   0.00   0.00   
1 1 1 35 35 5  o 4.8270  0.6276 4.2777  90.000    0.00   0.20   0.00   0.00   
1 1 1 35 35 6  o 9.7108  0.4380 9.2063  -0.0000   0.83   0.00   0.00   0.00   
1 1 1 35 35 7  o 2.7203  0.9866 1.6646  -90.0000  -0.00  -0.20  0.00   0.00   
1 1 1 35 35 8  o 2.5495  0.5528 0.4447  0.0000    -0.14  0.00   0.00   0.00   
1 1 1 35 35 9  o 9.0719  0.2048 9.5879  90.000    -0.00  -0.04  0.00   0.00   
1 1 1 35 35 10 o 0.0000  1.8974 1.3980  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 35 35 11 o 5.3198  0.4091 6.9068  90.000    0.00   0.05   0.00   0.00   
1 1 1 35 35 12 o 3.0822  0.6559 4.5078  -0.0000   0.14   0.00   0.00   0.00   
1 1 1 35 35 13 o 4.1352  0.5967 5.6545  -90.0000  -0.00  -0.40  0.00   0.00   
1 1 1 35 35 14 o 7.9561  0.5237 ?       ?         0.81   0.00   0.00   0.00   
1 1 1 35 35 15 o 4.8888  0.8801 ?       ?         0.00   0.33   0.00   0.00   
1 1 1 35 35 16 o 3.1781  1.2155 ?       ?         0.09   0.00   0.00   0.00   
1 1 1 35 35 17 o 4.4272  1.1574 ?       ?         0.00   0.16   0.00   0.00   
1 1 1 35 35 18 o 5.1769  1.3126 ?       ?         -0.42  0.00   0.00   0.00   
1 1 1 35 35 19 o 7.4833  1.2059 ?       ?         0.00   0.56   0.00   0.00   
1 1 1 36 0  0  o 49.462  0.4389 54.474  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 36 0  1  o 8.3666  0.2268 2.6684  134.200   0.08   -0.08  0.00   0.00   
1 1 1 36 0  2  f 4.9598  0.3034 5.1882  -89.8000  0.00   0.01   0.00   0.00   
1 1 1 36 0  3  o 11.292  0.2681 2.3882  44.000    0.10   0.10   0.00   0.00   
1 1 1 36 0  4  o 20.907  0.1778 23.437  -180.0000 -0.14  0.00   0.00   0.00   
1 1 1 36 0  5  o 28.213  0.2076 33.349  135.000   -0.08  0.08   0.00   0.00   
1 1 1 36 0  6  o 17.521  0.1863 13.498  89.900    0.00   0.22   0.00   0.00   
1 1 1 36 0  7  o 8.1425  0.2732 8.6199  -134.9000 -0.10  -0.10  0.00   0.00   
1 1 1 36 0  8  o 4.6152  0.3700 1.1154  -0.0000   -0.08  0.00   0.00   0.00   
1 1 1 36 0  9  o 2.3875  0.6410 3.3517  -45.2000  -0.02  0.02   0.00   0.00   
1 1 1 36 0  10 o 3.6878  0.5080 3.0672  -89.7000  -0.00  -0.04  0.00   0.00   
1 1 1 36 0  11 o 9.0443  0.2839 8.3186  45.000    -0.08  -0.08  0.00   0.00   
1 1 1 36 0  12 o 1.9235  0.7689 1.7822  0.0000    0.03   0.00   0.00   0.00   
1 1 1 36 0  13 o 6.1400  0.3754 6.5763  135.000   0.08   -0.08  0.00   0.00   
1 1 1 36 0  14 o 11.908  0.2749 13.938  -90.0000  -0.00  -0.14  0.00   0.00   
1 1 1 36 0  15 o 10.227  0.2714 7.2515  45.000    0.26   0.26   0.00   0.00   
1 1 1 36 0  16 f 13.206  0.2526 15.996  180.000   -0.33  0.00   0.00   0.00   
1 1 1 36 0  17 o 20.394  0.2399 18.880  -45.0000  0.54   -0.54  0.00   0.00   
1 1 1 36 0  18 o 9.3327  0.3558 9.1770  90.000    0.00   0.37   0.00   0.00   
1 1 1 36 0  19 o 11.476  0.3137 11.849  45.000    0.39   0.39   0.00   0.00   
1 1 1 36 0  20 o 7.6092  0.4520 6.8273  180.000   0.09   0.00   0.00   0.00   
1 1 1 36 0  21 o 0.0000  2.6833 ?       ?         -0.04  0.04   0.00   0.00   
1 1 1 36 0  22 o 5.7271  0.5978 ?       ?         -0.00  -0.30  0.00   0.00   
1 1 1 36 0  23 o 3.9243  1.3213 ?       ?         -0.27  -0.27  0.00   0.00   
1 1 1 36 0  24 o 3.4641  1.7090 ?       ?         -0.15  0.00   0.00   0.00   
1 1 1 36 1  0  o 29.440  0.2526 31.680  179.900   -0.42  0.00   0.00   0.00   
1 1 1 36 1  1  o 22.231  0.8867 22.805  148.000   -20.15 15.00  -1.24  6.06   
1 1 1 36 1  2  o 21.386  0.1313 23.764  133.500   -0.35  -0.12  0.32   -0.32  
1 1 1 36 1  3  o 16.009  0.2140 12.677  -131.0000 -0.74  -2.03  0.38   -0.49  
1 1 1 36 1  4  o 4.4136  0.2758 1.5861  53.900    0.29   0.21   -0.01  -0.02  
1 1 1 36 1  5  o 11.600  0.3633 8.8918  167.800   -5.10  6.66   0.57   3.33   
1 1 1 36 1  6  o 19.110  0.1357 19.572  117.200   -1.44  0.36   -0.90  -0.07  
1 1 1 36 1  7  o 14.303  0.4957 12.968  6.3000    8.05   4.13   -1.24  -1.40  
1 1 1 36 1  8  o 16.082  0.3050 17.764  64.000    2.88   5.15   1.35   -1.45  
1 1 1 36 1  9  o 7.3051  0.3367 3.5649  143.700   -1.47  0.77   -0.16  0.17   
1 1 1 36 1  10 o 6.4586  0.2278 3.0762  -6.4000   0.04   0.15   0.06   0.05   
1 1 1 36 1  11 o 6.5427  0.4080 7.1197  80.400    -0.30  1.08   0.06   0.05   
1 1 1 36 1  12 f 9.8524  0.4547 7.3820  -123.3000 0.21   -2.78  0.29   0.11   
1 1 1 36 1  13 o 6.2547  0.2526 6.6565  44.400    -0.04  -0.28  0.04   0.02   
1 1 1 36 1  14 f 4.0472  0.3913 4.5167  -2.2000   -0.87  -0.50  -0.16  -0.11  
1 1 1 36 1  15 o 9.9094  0.2069 9.9973  -72.6000  -0.61  0.54   0.19   0.16   
1 1 1 36 1  16 o 5.6788  0.3062 5.7798  149.500   -0.09  -0.11  -0.01  0.04   
1 1 1 36 1  17 o 10.505  0.3337 9.0045  112.700   -0.45  0.27   -0.02  0.01   
1 1 1 36 1  18 o 13.659  0.2052 14.273  -144.7000 -0.88  -0.10  -0.02  0.10   
1 1 1 36 1  19 o 13.166  0.2094 12.942  -12.1000  0.61   0.06   0.06   -0.03  
1 1 1 36 1  20 o 6.4447  0.3420 6.3355  -34.7000  1.11   0.22   0.01   -0.16  
1 1 1 36 1  21 o 5.7568  0.3960 ?       ?         -0.64  0.30   0.07   0.01   
1 1 1 36 1  22 o 9.4776  0.3794 ?       ?         -1.89  -0.71  0.17   -0.05  
1 1 1 36 1  23 f 5.1966  0.6568 ?       ?         0.78   -0.38  0.03   0.00   
1 1 1 36 1  24 o 8.9833  1.0143 ?       ?         -1.10  -0.70  0.00   0.00   
1 1 1 36 2  0  o 5.8481  0.2850 12.168  -179.9000 0.04   0.00   0.00   0.00   
1 1 1 36 2  1  o 22.288  0.1299 23.942  19.200    0.17   1.10   1.04   2.89   
1 1 1 36 2  2  o 33.960  1.0761 35.143  148.500   -13.93 23.95  3.31   4.45   
1 1 1 36 2  3  o 27.530  0.1461 25.258  7.8000    0.50   -0.04  -0.14  -0.16  
1 1 1 36 2  4  o 29.027  0.1454 27.521  -132.3000 -0.09  -0.05  0.03   0.02   
1 1 1 36 2  5  o 10.137  0.3277 10.164  -173.8000 -2.45  -4.74  1.32   -1.49  
1 1 1 36 2  6  o 9.3443  0.1725 11.836  31.300    -0.97  2.01   0.53   1.11   
1 1 1 36 2  7  o 12.666  0.1550 15.532  -115.3000 -0.67  -0.96  0.21   -0.27  
1 1 1 36 2  8  o 20.548  0.1914 20.586  -51.2000  0.12   -1.62  0.31   0.18   
1 1 1 36 2  9  o 10.093  0.1581 9.0693  -68.7000  0.04   0.17   0.01   -0.04  
1 1 1 36 2  10 o 14.258  0.7297 16.600  86.800    -2.28  15.69  2.93   1.26   
1 1 1 36 2  11 o 9.6907  0.3735 7.5497  -56.8000  2.62   0.93   -0.25  -0.32  
1 1 1 36 2  12 o 18.098  0.1428 15.989  -139.3000 -0.20  0.09   -0.02  -0.01  
1 1 1 36 2  13 o 18.389  0.3885 16.449  -91.4000  -3.55  -4.03  -0.61  -1.38  
1 1 1 36 2  14 o 5.0611  0.3213 4.0094  86.700    -0.61  0.46   0.05   0.16   
1 1 1 36 2  15 o 8.7331  0.2196 10.200  -83.0000  -0.06  -0.25  0.00   -0.03  
1 1 1 36 2  16 o 2.6650  0.5768 1.2755  157.400   -0.06  -0.14  -0.02  -0.02  
1 1 1 36 2  17 o 8.5279  0.2534 9.5108  140.400   0.04   0.46   -0.16  -0.02  
1 1 1 36 2  18 o 8.1505  0.2691 7.7800  -17.9000  0.76   -0.67  -0.21  0.01   
1 1 1 36 2  19 o 7.7164  0.2808 9.3210  160.800   0.01   0.46   -0.08  -0.04  
1 1 1 36 2  20 o 3.2638  0.5882 3.5235  -34.7000  -0.05  -0.01  0.00   0.00   
1 1 1 36 2  21 o 4.0944  0.5061 ?       ?         0.13   0.03   -0.00  0.00   
1 1 1 36 2  22 o 3.4266  0.7067 ?       ?         -0.36  -0.05  0.01   -0.01  
1 1 1 36 2  23 o 5.8229  0.5978 ?       ?         -0.07  0.27   -0.00  -0.00  
1 1 1 36 2  24 o 5.7096  1.3991 ?       ?         0.26   0.30   0.00   0.00   
1 1 1 36 3  0  o 18.240  0.1899 20.773  180.000   0.09   0.00   0.00   0.00   
1 1 1 36 3  1  o 15.030  0.1753 12.663  -50.5000  0.37   -2.29  1.19   0.06   
1 1 1 36 3  2  f 13.090  0.3193 15.953  -56.7000  -2.37  -1.80  -0.08  -0.68  
1 1 1 36 3  3  o 28.939  0.1535 29.155  19.600    1.04   0.28   -0.94  1.47   
1 1 1 36 3  4  o 19.470  0.1641 23.641  33.400    -0.11  -0.18  0.06   -0.01  
1 1 1 36 3  5  o 37.333  0.3280 37.993  -150.9000 -2.63  -3.20  -0.40  -1.20  
1 1 1 36 3  6  o 6.6193  0.2030 4.5645  176.900   1.44   -1.61  0.62   1.76   
1 1 1 36 3  7  o 17.658  0.3903 15.737  140.300   -1.44  2.32   0.16   0.22   
1 1 1 36 3  8  o 19.197  0.2843 20.832  165.000   0.06   1.84   0.21   -0.07  
1 1 1 36 3  9  o 7.8175  0.4532 7.8302  -143.0000 -1.50  -4.11  0.73   -0.47  
1 1 1 36 3  10 o 9.3847  0.6229 8.6717  -137.2000 -2.69  -6.10  0.71   -0.62  
1 1 1 36 3  11 o 12.883  0.3195 11.913  -81.8000  3.06   -1.61  -0.57  0.47   
1 1 1 36 3  12 o 4.6791  0.3130 3.7387  -170.8000 0.10   0.48   0.26   0.13   
1 1 1 36 3  13 o 8.3019  0.2167 8.4094  31.100    0.27   0.34   -0.04  -0.06  
1 1 1 36 3  14 o 18.237  0.1649 20.617  -107.8000 0.37   -0.47  -0.11  -0.20  
1 1 1 36 3  15 o 5.2154  0.3236 4.5229  -107.5000 -0.06  -0.11  -0.02  0.04   
1 1 1 36 3  16 o 13.955  0.3539 15.040  -122.3000 1.04   -2.58  0.04   0.56   
1 1 1 36 3  17 o 10.842  0.2087 11.847  -63.6000  0.16   -0.17  -0.02  -0.00  
1 1 1 36 3  18 o 11.238  0.3358 10.344  -105.3000 -3.77  -2.12  -1.59  0.03   
1 1 1 36 3  19 o 8.4824  0.2726 6.5047  -24.5000  -0.42  0.27   0.03   -0.09  
1 1 1 36 3  20 o 6.1318  0.3374 7.2629  -143.5000 0.91   -0.04  -0.03  -0.14  
1 1 1 36 3  21 o 5.6265  0.4021 ?       ?         -0.04  0.63   -0.00  -0.04  
1 1 1 36 3  22 o 4.4283  0.5781 ?       ?         0.09   0.56   -0.02  0.02   
1 1 1 36 3  23 o 3.7790  0.7742 ?       ?         0.03   -0.24  -0.00  -0.00  
1 1 1 36 3  24 o 1.1832  1.9312 ?       ?         -0.32  -0.14  0.00   0.00   
1 1 1 36 4  0  o 35.758  0.2734 35.108  179.900   -0.56  0.00   0.00   0.00   
1 1 1 36 4  1  o 23.336  0.2960 21.376  -22.9000  2.65   2.98   -0.22  -1.35  
1 1 1 36 4  2  o 14.277  0.1322 6.7181  -99.1000  -0.07  0.08   0.01   0.01   
1 1 1 36 4  3  o 20.384  0.3549 22.990  4.4000    2.54   -1.66  -0.11  0.42   
1 1 1 36 4  4  o 25.012  0.6469 23.762  60.100    10.25  -1.27  -1.77  0.71   
1 1 1 36 4  5  o 12.039  0.4824 9.7546  25.600    5.94   9.57   1.99   -3.20  
1 1 1 36 4  6  o 10.660  0.1417 13.500  27.400    -0.06  -0.20  -0.00  0.54   
1 1 1 36 4  7  o 14.447  0.1619 13.488  2.8000    0.87   -0.47  -0.18  0.13   
1 1 1 36 4  8  o 16.590  0.1298 16.971  -86.1000  -0.72  -0.67  -0.49  -0.48  
1 1 1 36 4  9  o 11.458  0.1607 12.518  55.000    1.06   -0.25  -0.63  -0.09  
1 1 1 36 4  10 o 6.4373  0.2388 5.9855  93.600    0.40   1.23   0.79   -0.16  
1 1 1 36 4  11 o 5.0751  0.2869 5.6319  83.100    -0.41  1.22   0.24   0.36   
1 1 1 36 4  12 f 7.7146  0.2878 6.5171  -3.4000   -0.61  -1.43  0.25   -0.13  
1 1 1 36 4  13 o 14.524  0.4025 14.986  161.900   -4.77  -2.06  -0.43  -1.20  
1 1 1 36 4  14 o 12.310  0.1735 12.240  175.200   -0.47  0.34   -0.13  0.02   
1 1 1 36 4  15 f 6.4664  0.4781 5.3801  -145.6000 0.97   -1.30  -0.00  0.16   
1 1 1 36 4  16 o 11.559  0.2020 11.982  -80.0000  0.09   0.25   -0.02  -0.02  
1 1 1 36 4  17 o 8.7399  0.2464 7.7172  -142.6000 -0.56  -0.38  0.10   -0.07  
1 1 1 36 4  18 o 7.6767  0.2801 8.6975  -116.9000 -0.20  0.47   0.05   -0.03  
1 1 1 36 4  19 o 3.4310  0.5129 1.6139  -17.0000  -0.51  -0.15  0.03   0.16   
1 1 1 36 4  20 o 5.1309  0.4018 4.3810  -9.3000   -0.00  -0.34  -0.02  -0.03  
1 1 1 36 4  21 o 7.0856  0.7815 ?       ?         -0.66  0.15   -0.00  0.01   
1 1 1 36 4  22 o 2.9196  1.3678 ?       ?         -0.09  -0.20  0.00   0.00   
1 1 1 36 4  23 o 2.3099  1.0660 ?       ?         0.20   0.38   0.01   0.02   
1 1 1 36 4  24 o 5.7561  1.7634 ?       ?         -0.41  0.33   0.00   -0.00  
1 1 1 36 5  0  o 4.0988  0.3474 4.2367  180.000   0.01   0.00   0.00   0.00   
1 1 1 36 5  1  o 8.3746  0.1527 3.6078  -68.4000  1.71   -1.67  0.67   2.87   
1 1 1 36 5  2  o 15.130  0.5133 17.627  46.400    10.00  4.10   -1.94  -1.62  
1 1 1 36 5  3  o 13.077  0.4013 13.118  141.400   0.42   8.24   2.45   -0.48  
1 1 1 36 5  4  o 6.0786  0.3800 2.8129  80.100    2.15   -0.19  -0.31  0.08   
1 1 1 36 5  5  o 11.350  0.5781 13.318  140.500   -5.76  12.88  2.83   2.74   
1 1 1 36 5  6  o 2.7242  0.3993 2.9511  86.100    0.29   -0.02  -0.07  0.03   
1 1 1 36 5  7  o 28.236  0.1530 27.149  2.4000    1.83   0.29   2.28   -3.41  
1 1 1 36 5  8  o 14.054  0.1451 13.000  -96.4000  -0.20  -0.49  0.03   -0.06  
1 1 1 36 5  9  o 10.574  0.1673 10.683  -38.1000  -0.01  -0.85  0.21   -0.11  
1 1 1 36 5  10 o 9.0107  0.2870 12.477  -108.4000 4.73   -3.34  -1.99  2.97   
1 1 1 36 5  11 o 17.738  0.1439 16.940  -48.1000  -0.02  -0.03  0.00   0.00   
1 1 1 36 5  12 o 3.5713  0.3909 3.9594  -89.2000  0.09   0.02   -0.01  0.01   
1 1 1 36 5  13 o 6.9322  0.3709 8.2414  -173.8000 0.63   -0.30  -0.04  0.02   
1 1 1 36 5  14 o 5.1810  0.3195 4.7386  -134.5000 -0.41  0.50   -0.85  -0.06  
1 1 1 36 5  15 o 4.1233  0.4175 5.8954  -155.0000 0.01   0.13   -0.04  -0.01  
1 1 1 36 5  16 o 5.6291  0.3083 5.6193  138.000   0.00   0.17   -0.02  -0.03  
1 1 1 36 5  17 o 5.5936  0.3569 5.5664  156.700   -0.53  0.19   0.04   -0.27  
1 1 1 36 5  18 o 8.6157  0.2612 8.8471  -63.2000  -0.02  -0.09  -0.00  -0.00  
1 1 1 36 5  19 o 5.5436  0.3625 4.7167  -147.6000 0.08   -0.34  -0.03  0.03   
1 1 1 36 5  20 o 5.6986  0.3698 5.9823  -57.4000  -0.12  -0.31  -0.02  0.03   
1 1 1 36 5  21 o 5.2055  0.4749 ?       ?         0.24   0.49   0.02   0.02   
1 1 1 36 5  22 o 8.2561  0.3711 ?       ?         0.56   -0.20  0.02   -0.00  
1 1 1 36 5  23 o 4.6589  0.7060 ?       ?         -0.24  0.46   -0.00  -0.02  
1 1 1 36 5  24 o 4.6066  1.2279 ?       ?         -0.17  0.05   0.00   -0.00  
1 1 1 36 6  0  o 35.848  0.2424 30.801  -179.9000 0.06   0.00   0.00   0.00   
1 1 1 36 6  1  o 6.3871  0.1896 8.1022  -107.0000 0.34   0.04   -0.08  -0.04  
1 1 1 36 6  2  o 11.681  0.4708 9.8824  102.500   6.20   7.01   0.53   -2.59  
1 1 1 36 6  3  o 12.766  0.1352 16.582  -170.9000 0.04   0.13   -0.03  -0.10  
1 1 1 36 6  4  o 12.702  0.2039 13.263  115.900   2.69   0.96   -0.99  -0.56  
1 1 1 36 6  5  o 5.6873  0.4964 6.1177  -90.6000  -0.68  -2.50  0.25   -0.17  
1 1 1 36 6  6  o 32.374  0.6244 32.748  -129.8000 -6.44  3.16   -0.44  0.97   
1 1 1 36 6  7  o 18.195  0.2563 15.370  42.300    1.16   -0.59  -0.06  0.15   
1 1 1 36 6  8  o 11.366  0.1875 6.5243  -101.2000 0.51   -0.74  -0.56  1.03   
1 1 1 36 6  9  o 17.122  0.1340 18.077  -160.0000 -0.16  0.74   0.01   0.50   
1 1 1 36 6  10 o 10.753  0.2279 13.763  177.000   -1.93  -2.74  1.11   -1.34  
1 1 1 36 6  11 o 5.0677  0.5648 4.6499  -30.2000  2.25   -2.25  0.06   0.43   
1 1 1 36 6  12 o 5.3069  0.2725 5.7901  5.6000    -0.03  1.17   0.39   0.21   
1 1 1 36 6  13 o 14.193  0.1729 14.203  -8.0000   0.45   0.13   0.06   0.22   
1 1 1 36 6  14 o 13.400  0.1677 13.178  30.000    0.25   -1.07  0.26   -0.13  
1 1 1 36 6  15 o 7.4856  0.2496 7.7008  -119.6000 -0.02  -1.34  0.48   0.63   
1 1 1 36 6  16 o 9.4669  0.2160 9.2271  -157.6000 -1.14  -0.14  0.20   -0.60  
1 1 1 36 6  17 o 2.1688  0.6627 0.9165  171.800   0.03   -0.01  0.00   -0.00  
1 1 1 36 6  18 o 4.7915  0.4220 6.5787  152.300   0.29   -0.16  -0.03  -0.02  
1 1 1 36 6  19 o 3.0612  0.5878 2.2178  138.900   0.15   -0.22  0.02   -0.02  
1 1 1 36 6  20 o 4.6394  0.4790 3.9035  67.600    -0.06  0.19   -0.00  0.00   
1 1 1 36 6  21 f 5.0576  0.4901 ?       ?         -0.23  0.34   0.01   -0.01  
1 1 1 36 6  22 o 2.3198  0.8404 ?       ?         0.04   -0.03  0.00   -0.00  
1 1 1 36 6  23 o 0.0000  2.4223 ?       ?         0.23   0.19   0.02   0.00   
1 1 1 36 6  24 o 5.8224  1.0433 ?       ?         -0.36  -0.15  0.00   -0.00  
1 1 1 36 7  0  o 13.084  0.1809 10.314  0.0000    0.18   0.00   0.00   0.00   
1 1 1 36 7  1  o 23.378  0.1329 19.216  159.400   -0.51  0.97   1.44   -0.05  
1 1 1 36 7  2  f 14.962  0.2453 12.148  122.500   -6.31  -0.96  -4.46  -0.48  
1 1 1 36 7  3  o 10.728  0.1345 14.122  116.400   -0.07  0.70   0.20   -0.01  
1 1 1 36 7  4  o 39.431  0.7487 40.037  136.900   2.30   5.23   0.23   -0.45  
1 1 1 36 7  5  o 16.977  0.3497 21.640  45.200    3.48   1.97   -0.56  -0.64  
1 1 1 36 7  6  o 30.509  0.4465 25.785  -145.2000 -8.84  3.35   -1.57  2.61   
1 1 1 36 7  7  o 22.715  0.1528 25.404  -152.7000 -0.98  0.89   0.29   0.45   
1 1 1 36 7  8  o 17.970  0.2650 14.603  -66.1000  0.13   -2.01  0.28   0.11   
1 1 1 36 7  9  o 5.5845  0.2428 4.5672  14.700    -0.02  -0.09  -0.00  -0.04  
1 1 1 36 7  10 o 6.6554  0.2399 5.5254  -58.5000  0.43   0.19   -0.02  -0.03  
1 1 1 36 7  11 o 10.404  0.2821 13.730  -91.1000  1.17   -0.74  -0.11  0.12   
1 1 1 36 7  12 o 15.454  0.1590 18.112  8.1000    0.43   -0.02  -0.03  -0.06  
1 1 1 36 7  13 o 5.7174  0.2822 4.3629  -168.1000 -0.19  -0.05  0.07   0.12   
1 1 1 36 7  14 o 3.3515  0.6048 4.3415  41.100    -0.82  0.66   -0.06  0.11   
1 1 1 36 7  15 o 14.239  0.1821 13.666  16.200    1.04   -0.11  0.68   0.44   
1 1 1 36 7  16 o 14.304  0.2169 14.415  112.300   0.64   1.19   0.24   0.03   
1 1 1 36 7  17 o 9.9538  0.2220 9.4216  42.700    0.71   0.61   0.34   0.36   
1 1 1 36 7  18 o 7.9759  0.2640 8.3816  53.300    1.68   1.00   -0.70  0.16   
1 1 1 36 7  19 o 4.3007  0.4136 2.7542  70.600    0.29   0.12   0.03   -0.02  
1 1 1 36 7  20 f 10.802  0.2701 11.275  -108.0000 -0.38  -2.31  0.20   0.40   
1 1 1 36 7  21 o 7.4927  0.4973 ?       ?         1.24   -0.19  0.02   0.09   
1 1 1 36 7  22 o 4.2725  0.9522 ?       ?         -0.26  -0.61  -0.01  -0.02  
1 1 1 36 7  23 o 4.3052  1.8241 ?       ?         -0.56  -0.16  0.02   -0.01  
1 1 1 36 7  24 o 1.3160  1.4835 ?       ?         0.40   -0.05  0.01   -0.00  
1 1 1 36 8  0  o 14.241  0.2246 27.931  180.000   0.16   0.00   0.00   0.00   
1 1 1 36 8  1  f 21.219  0.1772 17.208  123.300   -1.45  0.98   -0.38  0.43   
1 1 1 36 8  2  o 23.930  0.3370 26.655  59.300    1.03   6.49   2.54   -0.21  
1 1 1 36 8  3  o 22.017  0.3144 20.680  75.100    3.38   4.59   0.99   -1.77  
1 1 1 36 8  4  o 25.906  0.3188 22.195  -166.8000 -1.99  1.60   0.04   0.42   
1 1 1 36 8  5  o 12.819  0.2068 13.197  31.200    1.65   1.04   -0.12  -0.55  
1 1 1 36 8  6  o 12.181  0.3168 13.718  -140.7000 -2.67  -2.53  0.10   -0.89  
1 1 1 36 8  7  o 33.448  0.1655 38.076  178.200   -1.05  -0.51  0.78   -0.41  
1 1 1 36 8  8  o 27.693  0.1566 27.412  -148.6000 0.00   0.24   -0.04  -0.06  
1 1 1 36 8  9  o 14.168  0.2795 15.321  -78.7000  -3.08  -1.72  -0.28  -1.09  
1 1 1 36 8  10 o 8.4543  0.2168 11.577  -125.6000 0.77   -2.75  1.34   1.92   
1 1 1 36 8  11 o 13.828  0.3185 15.203  -170.2000 0.66   -3.44  0.57   0.49   
1 1 1 36 8  12 o 11.911  0.3314 13.946  -98.4000  0.18   1.81   0.25   0.06   
1 1 1 36 8  13 o 11.491  0.1767 12.609  122.500   -0.53  -0.09  -0.10  0.19   
1 1 1 36 8  14 o 8.2534  0.3914 6.9090  104.400   -1.62  0.46   -0.12  0.15   
1 1 1 36 8  15 o 8.9866  0.3264 9.3713  72.300    -1.34  2.50   0.08   0.75   
1 1 1 36 8  16 o 15.873  0.4295 15.964  -87.6000  1.24   -3.65  0.16   0.58   
1 1 1 36 8  17 o 10.183  0.3501 11.001  104.700   2.92   1.56   0.11   -0.77  
1 1 1 36 8  18 o 4.5774  0.4404 6.0334  -10.8000  0.26   -0.23  0.05   -0.03  
1 1 1 36 8  19 o 7.1916  0.3107 6.2164  118.900   0.30   0.70   0.08   0.08   
1 1 1 36 8  20 o 5.4498  0.3866 4.9540  -173.8000 0.35   -0.37  -0.01  -0.08  
1 1 1 36 8  21 o 5.2496  0.4938 ?       ?         -0.37  0.15   0.01   0.01   
1 1 1 36 8  22 o 5.6557  0.5040 ?       ?         1.03   -1.26  0.11   -0.12  
1 1 1 36 8  23 o 6.7390  0.6598 ?       ?         -1.18  -0.72  0.03   0.04   
1 1 1 36 8  24 f 4.5306  1.2159 ?       ?         -0.32  0.15   0.00   -0.00  
1 1 1 36 9  0  o 29.203  0.2293 27.380  -0.0000   -0.27  0.00   0.00   0.00   
1 1 1 36 9  1  o 14.988  0.1317 15.573  74.300    0.14   -0.61  -0.89  2.13   
1 1 1 36 9  2  o 16.992  0.1843 16.748  -61.2000  2.95   -1.67  -1.47  1.40   
1 1 1 36 9  3  f 18.393  0.3004 17.336  80.900    2.52   3.41   0.61   -1.06  
1 1 1 36 9  4  o 14.045  0.1382 11.350  -107.0000 1.05   0.02   -0.74  0.46   
1 1 1 36 9  5  o 19.957  0.1379 24.188  147.000   -0.15  0.38   -0.33  0.29   
1 1 1 36 9  6  o 47.200  0.2252 48.962  -149.7000 -1.01  -0.16  0.09   0.32   
1 1 1 36 9  7  o 11.103  0.2669 11.929  77.900    1.65   3.10   0.42   -1.00  
1 1 1 36 9  8  o 29.674  0.1609 30.799  145.700   0.77   -0.00  0.26   -0.33  
1 1 1 36 9  9  o 16.145  0.2199 21.571  54.600    1.79   -0.26  -0.31  0.26   
1 1 1 36 9  10 o 17.068  0.1384 16.983  107.600   0.21   0.06   -0.01  0.07   
1 1 1 36 9  11 o 10.599  0.5690 9.3648  173.000   -4.56  -1.38  -0.37  -0.35  
1 1 1 36 9  12 o 7.0663  0.3022 6.9338  -104.5000 -0.61  -1.09  0.17   -0.12  
1 1 1 36 9  13 o 8.9002  0.3881 8.9898  55.600    0.02   0.60   0.02   0.01   
1 1 1 36 9  14 o 13.313  0.2900 12.202  34.000    0.36   0.50   0.02   -0.02  
1 1 1 36 9  15 f 12.141  0.1859 9.4083  -140.0000 -0.42  -0.95  0.26   0.18   
1 1 1 36 9  16 o 12.416  0.2011 11.820  44.800    -0.71  0.33   0.21   -0.26  
1 1 1 36 9  17 o 7.6510  0.2570 8.2633  -173.4000 -0.14  -0.26  0.03   0.02   
1 1 1 36 9  18 o 15.099  0.1811 14.899  131.400   -0.50  0.94   0.03   -0.22  
1 1 1 36 9  19 f 8.4731  0.2610 10.025  52.600    0.61   -0.42  0.13   -0.10  
1 1 1 36 9  20 o 3.0586  0.6215 3.9875  -97.8000  0.27   -0.38  0.04   -0.05  
1 1 1 36 9  21 o 6.7844  0.4131 ?       ?         -0.52  -1.09  0.07   0.08   
1 1 1 36 9  22 o 10.540  0.6627 ?       ?         0.83   -1.59  -0.08  0.03   
1 1 1 36 9  23 o 7.0757  0.6978 ?       ?         0.10   -0.32  -0.00  0.00   
1 1 1 36 9  24 o 6.4999  0.9957 ?       ?         0.46   0.21   0.00   0.00   
1 1 1 36 10 0  o 8.1240  0.2622 5.3824  0.1000    0.10   0.00   0.00   0.00   
1 1 1 36 10 1  o 22.848  0.3508 22.327  103.400   5.60   1.96   -1.45  -0.77  
1 1 1 36 10 2  o 8.4936  0.2267 7.6852  169.200   -0.42  -2.41  0.71   -0.17  
1 1 1 36 10 3  o 8.9272  0.6140 7.4115  15.600    9.01   -5.05  -1.12  1.60   
1 1 1 36 10 4  o 17.704  0.1529 12.493  -134.0000 -2.11  -0.05  -1.43  0.74   
1 1 1 36 10 5  o 13.556  0.1946 12.471  173.700   -0.33  0.18   -0.33  -0.48  
1 1 1 36 10 6  o 14.381  0.1336 11.385  -8.5000   0.72   -0.31  0.38   1.17   
1 1 1 36 10 7  o 6.8569  0.2061 8.2023  -34.0000  -0.88  0.32   -0.16  0.24   
1 1 1 36 10 8  o 17.346  0.7449 14.225  113.100   -9.95  -4.30  -1.08  -1.69  
1 1 1 36 10 9  o 15.284  0.1692 15.481  58.400    -0.49  0.14   -0.05  0.00   
1 1 1 36 10 10 o 8.2828  0.1970 8.5958  61.300    0.05   0.13   -0.03  0.10   
1 1 1 36 10 11 o 19.180  0.2755 19.459  101.600   -2.03  1.27   -0.36  0.25   
1 1 1 36 10 12 o 12.777  0.1671 11.112  141.900   1.11   -0.38  -0.39  -0.13  
1 1 1 36 10 13 o 11.090  0.4079 10.141  -109.6000 1.06   -1.25  -0.03  0.13   
1 1 1 36 10 14 o 4.1127  0.3844 5.3887  -75.3000  0.28   -0.68  0.03   0.12   
1 1 1 36 10 15 o 6.5377  0.2815 4.9271  23.700    0.07   0.27   0.00   -0.02  
1 1 1 36 10 16 o 5.0035  0.3663 5.3990  -107.5000 -0.20  0.08   0.00   0.02   
1 1 1 36 10 17 o 8.9754  0.2384 7.6852  -100.4000 -0.41  -0.47  -0.16  0.01   
1 1 1 36 10 18 o 5.5805  0.5037 5.3876  -28.4000  1.55   0.24   -0.10  -0.16  
1 1 1 36 10 19 o 6.0549  0.3436 6.0039  142.400   -0.74  0.01   0.02   -0.13  
1 1 1 36 10 20 o 5.9439  0.3721 5.7126  -174.1000 -0.49  0.42   0.01   -0.11  
1 1 1 36 10 21 o 7.2176  0.3707 ?       ?         0.54   0.22   0.02   0.04   
1 1 1 36 10 22 f 1.6299  1.0421 ?       ?         -0.06  0.19   -0.01  0.00   
1 1 1 36 10 23 o 5.4322  0.8622 ?       ?         -0.54  -0.59  0.01   0.01   
1 1 1 36 10 24 o 4.4792  1.9843 ?       ?         0.07   -0.12  -0.00  -0.00  
1 1 1 36 11 0  o 22.904  0.1798 22.869  180.000   -0.19  0.00   0.00   0.00   
1 1 1 36 11 1  o 12.967  0.2330 8.9061  39.300    0.24   1.79   0.37   -0.20  
1 1 1 36 11 2  o 13.331  0.3538 15.097  -171.3000 -4.52  5.73   0.89   2.33   
1 1 1 36 11 3  o 35.809  0.1737 38.475  35.200    1.27   0.11   -0.16  0.93   
1 1 1 36 11 4  o 6.1824  0.1875 12.678  -77.2000  -0.32  -0.26  -0.10  -0.16  
1 1 1 36 11 5  o 16.962  0.3460 20.639  -91.9000  -6.36  -3.05  -1.76  -1.52  
1 1 1 36 11 6  o 20.740  0.1489 23.906  -63.8000  0.85   -2.45  1.43   0.22   
1 1 1 36 11 7  o 5.2341  0.2397 4.5716  -6.2000   0.19   -0.01  -0.05  0.04   
1 1 1 36 11 8  o 16.830  0.1321 19.820  -131.6000 -0.01  -0.22  -0.09  -0.08  
1 1 1 36 11 9  o 17.376  0.2925 18.213  82.700    -3.04  1.96   -0.65  0.68   
1 1 1 36 11 10 o 13.806  0.1566 17.428  92.500    1.97   1.01   -3.22  0.33   
1 1 1 36 11 11 o 15.446  0.5329 14.825  81.300    0.71   3.00   0.21   -0.05  
1 1 1 36 11 12 o 13.171  0.6400 13.630  141.600   -5.21  1.10   -0.51  0.09   
1 1 1 36 11 13 o 11.656  0.1770 10.901  -75.2000  -0.15  0.50   -0.35  -0.06  
1 1 1 36 11 14 o 13.989  0.2994 14.013  -105.8000 -3.18  -1.38  -0.82  -0.27  
1 1 1 36 11 15 o 8.1384  0.2529 11.019  140.500   -0.60  0.50   0.31   -0.55  
1 1 1 36 11 16 o 4.5848  0.4019 3.7297  50.500    -0.16  -0.42  0.00   -0.03  
1 1 1 36 11 17 o 8.7932  0.4286 9.2354  -138.5000 0.87   -2.15  -0.02  0.37   
1 1 1 36 11 18 o 8.3690  0.2613 9.7187  174.300   -0.32  -0.08  0.03   0.03   
1 1 1 36 11 19 o 5.7376  0.3613 4.8786  -56.3000  0.52   0.31   0.10   0.00   
1 1 1 36 11 20 o 3.8425  0.5815 5.1004  -172.0000 -0.39  -0.15  -0.01  0.03   
1 1 1 36 11 21 o 4.1618  0.5377 ?       ?         -0.15  -0.13  0.00   0.00   
1 1 1 36 11 22 o 5.8014  0.5755 ?       ?         0.04   0.86   -0.02  -0.03  
1 1 1 36 11 23 o 6.4143  1.3052 ?       ?         1.28   -0.24  -0.02  -0.02  
1 1 1 36 11 24 o 5.4145  1.6769 ?       ?         -0.56  0.24   -0.00  -0.01  
1 1 1 36 12 0  f 18.273  0.2003 22.815  -179.9000 -0.47  0.00   0.00   0.00   
1 1 1 36 12 1  o 13.375  0.1190 9.1953  -62.5000  -0.39  0.29   -0.46  0.18   
1 1 1 36 12 2  o 16.882  0.2848 18.112  117.700   0.24   5.09   1.91   -0.62  
1 1 1 36 12 3  o 33.585  0.1741 36.073  76.300    0.81   0.89   -1.24  0.97   
1 1 1 36 12 4  o 24.119  0.1387 25.519  2.0000    0.76   -0.36  1.47   -0.04  
1 1 1 36 12 5  o 9.5447  0.2848 12.502  105.700   1.31   1.79   0.17   -0.35  
1 1 1 36 12 6  o 12.779  0.6671 13.991  23.800    3.67   7.73   0.57   -0.61  
1 1 1 36 12 7  o 27.053  0.2721 26.644  -126.5000 -4.53  -0.50  -1.70  0.67   
1 1 1 36 12 8  o 6.6048  0.2063 9.0043  -26.7000  0.09   0.24   0.01   -0.07  
1 1 1 36 12 9  o 12.232  0.1495 12.558  -126.7000 0.24   -0.37  -0.43  0.17   
1 1 1 36 12 10 o 18.262  0.2758 20.673  -51.8000  0.37   -4.76  1.52   -0.40  
1 1 1 36 12 11 o 7.2335  0.2192 5.7640  -131.4000 0.15   0.03   -0.00  -0.01  
1 1 1 36 12 12 o 16.550  0.1758 14.763  -71.1000  0.63   0.86   0.20   -0.06  
1 1 1 36 12 13 o 9.8889  0.1904 7.6425  -156.7000 -0.58  -0.09  -0.11  0.24   
1 1 1 36 12 14 o 5.5485  0.7017 4.6250  -178.2000 -1.11  -1.47  0.00   -0.13  
1 1 1 36 12 15 o 8.8141  0.2198 7.0144  -41.5000  0.60   0.16   -0.11  0.11   
1 1 1 36 12 16 o 6.7488  0.2976 7.5859  -26.5000  0.04   0.18   -0.02  0.01   
1 1 1 36 12 17 o 2.3904  0.7388 1.2264  136.300   -0.10  0.11   0.00   0.00   
1 1 1 36 12 18 o 2.9997  0.5949 2.6661  64.000    -0.27  -0.09  0.01   -0.02  
1 1 1 36 12 19 o 13.811  0.2085 14.644  -166.7000 -1.91  -1.10  0.42   -0.08  
1 1 1 36 12 20 o 4.5084  0.5191 4.4339  104.100   -0.08  0.34   -0.01  0.01   
1 1 1 36 12 21 o 7.0174  0.7371 ?       ?         -0.63  1.54   -0.02  0.08   
1 1 1 36 12 22 o 14.528  0.3152 ?       ?         -5.81  -2.62  0.62   0.35   
1 1 1 36 12 23 o 9.7943  0.4634 ?       ?         -0.61  4.33   -0.41  0.08   
1 1 1 36 12 24 o 8.9968  0.6558 ?       ?         -1.97  -1.00  -0.00  0.02   
1 1 1 36 13 0  o 25.667  0.1933 26.957  -0.0000   0.41   0.00   0.00   0.00   
1 1 1 36 13 1  o 9.5363  0.5388 11.874  -13.0000  6.85   -7.18  0.22   2.00   
1 1 1 36 13 2  o 22.227  0.2671 25.789  97.100    6.35   2.56   -4.19  -1.85  
1 1 1 36 13 3  o 28.532  0.1555 26.365  86.600    -0.77  0.98   0.30   0.19   
1 1 1 36 13 4  o 19.838  0.2117 18.318  156.600   -0.99  -1.89  0.46   -0.32  
1 1 1 36 13 5  o 28.872  0.2251 23.627  -177.0000 -2.22  -1.54  0.19   -0.87  
1 1 1 36 13 6  o 12.679  0.4627 15.860  101.000   -10.24 6.78   -1.74  3.13   
1 1 1 36 13 7  o 4.3731  0.2819 1.2518  26.400    -0.28  1.46   0.37   0.25   
1 1 1 36 13 8  o 23.860  0.1816 24.749  4.8000    0.86   -0.48  0.04   0.16   
1 1 1 36 13 9  o 9.2914  0.2521 10.749  -41.1000  4.88   -0.25  -2.38  -0.43  
1 1 1 36 13 10 o 4.2764  0.3682 3.1936  -77.3000  0.96   -1.18  -0.02  0.30   
1 1 1 36 13 11 o 13.078  0.3991 13.932  -139.6000 -3.79  -4.36  -0.38  -1.53  
1 1 1 36 13 12 o 13.187  0.1637 13.476  -155.5000 -0.37  -0.56  -0.13  0.57   
1 1 1 36 13 13 o 10.046  0.3792 8.5346  134.800   -0.20  -0.90  0.06   -0.00  
1 1 1 36 13 14 o 3.7746  0.3914 4.1074  -17.3000  -0.16  -0.14  -0.05  -0.01  
1 1 1 36 13 15 o 7.9517  0.2565 7.4328  57.500    -0.38  -0.41  0.16   0.16   
1 1 1 36 13 16 o 7.4312  0.4646 6.2728  10.0000   0.52   0.94   0.06   -0.03  
1 1 1 36 13 17 o 11.186  0.2117 11.185  -27.8000  0.83   1.02   -0.35  0.02   
1 1 1 36 13 18 o 12.348  0.2087 12.905  -2.5000   0.58   -0.65  -0.00  -0.16  
1 1 1 36 13 19 o 3.0636  0.6332 1.6947  131.300   -0.14  -0.02  0.01   -0.00  
1 1 1 36 13 20 o 3.6547  0.6162 4.1542  -60.2000  -0.11  -0.28  0.00   0.02   
1 1 1 36 13 21 o 5.2539  0.8801 ?       ?         -0.45  0.53   -0.02  0.01   
1 1 1 36 13 22 o 2.6463  0.9530 ?       ?         -0.19  -0.11  0.00   0.00   
1 1 1 36 13 23 o 3.4253  0.8842 ?       ?         -0.03  0.19   -0.00  -0.00  
1 1 1 36 13 24 o 4.3555  2.0142 ?       ?         0.44   -0.24  -0.00  -0.00  
1 1 1 36 14 0  o 4.2544  0.3164 1.9747  1.2000    -0.00  0.00   0.00   0.00   
1 1 1 36 14 1  o 7.9036  0.2337 7.9488  -46.4000  1.95   2.44   0.38   -1.04  
1 1 1 36 14 2  o 22.996  0.2756 17.825  -100.8000 -4.56  -0.47  -1.48  0.17   
1 1 1 36 14 3  o 10.538  0.1338 10.421  11.000    0.10   0.30   -0.62  -0.52  
1 1 1 36 14 4  o 13.455  0.1503 12.140  79.500    1.37   1.41   -3.09  -3.12  
1 1 1 36 14 5  o 24.901  0.3224 19.821  -104.6000 -2.33  0.01   -0.26  0.09   
1 1 1 36 14 6  o 13.287  0.1868 13.392  57.800    0.91   0.94   -0.08  -0.27  
1 1 1 36 14 7  o 29.442  0.1610 24.547  38.700    2.16   0.21   -0.39  1.82   
1 1 1 36 14 8  o 9.9780  0.1803 10.506  -121.9000 -1.13  -0.35  -1.98  1.27   
1 1 1 36 14 9  o 14.805  0.4476 14.409  -9.7000   3.99   1.49   -0.29  -0.38  
1 1 1 36 14 10 o 12.476  0.1811 7.8853  -44.3000  -1.12  0.48   -0.27  0.06   
1 1 1 36 14 11 o 17.052  0.2330 17.529  27.000    2.31   0.58   -0.17  -0.66  
1 1 1 36 14 12 o 5.8592  0.3611 7.5519  32.800    -0.44  1.19   0.08   0.13   
1 1 1 36 14 13 o 10.360  0.2763 9.0835  -127.8000 1.02   0.21   -0.07  -0.09  
1 1 1 36 14 14 o 5.3971  0.3259 5.1038  26.200    0.10   0.15   0.03   0.02   
1 1 1 36 14 15 o 9.7596  0.2456 7.9888  158.300   -0.58  -2.65  0.90   0.43   
1 1 1 36 14 16 f 7.1330  0.2809 6.0744  126.400   -0.23  0.33   0.05   -0.01  
1 1 1 36 14 17 o 6.0378  0.3465 5.9569  145.100   -0.30  1.44   0.28   -0.31  
1 1 1 36 14 18 o 4.6946  0.4539 3.7876  -135.0000 -0.27  0.14   0.00   0.01   
1 1 1 36 14 19 o 2.2243  0.7639 1.8640  -100.2000 -0.08  0.19   0.01   -0.01  
1 1 1 36 14 20 o 9.2159  0.3168 ?       ?         0.21   -1.54  -0.15  0.09   
1 1 1 36 14 21 o 5.9072  0.5198 ?       ?         -0.35  -0.09  0.00   0.00   
1 1 1 36 14 22 o 3.2024  0.8959 ?       ?         -0.09  0.04   0.00   -0.00  
1 1 1 36 14 23 o 5.0138  0.9021 ?       ?         0.09   1.46   -0.02  0.04   
1 1 1 36 15 0  o 26.136  0.1993 20.795  -0.0000   0.54   0.00   0.00   0.00   
1 1 1 36 15 1  f 2.7437  0.2895 1.7347  139.400   -0.05  -0.11  0.01   -0.02  
1 1 1 36 15 2  o 25.156  0.1670 23.494  -73.6000  0.53   -0.98  0.40   0.06   
1 1 1 36 15 3  o 11.833  0.3561 7.3742  151.800   -4.48  0.31   -0.83  0.01   
1 1 1 36 15 4  o 11.348  0.1989 10.391  175.000   -2.96  -2.01  -0.25  -1.52  
1 1 1 36 15 5  o 12.783  0.1269 11.626  86.500    -0.59  0.50   -2.38  -0.27  
1 1 1 36 15 6  o 16.385  0.1324 15.395  -172.1000 -0.64  -0.41  -0.30  1.53   
1 1 1 36 15 7  o 3.6248  0.3194 3.0482  153.100   -0.03  -0.05  -0.04  -0.01  
1 1 1 36 15 8  f 18.018  0.2602 16.525  69.900    1.07   3.84   0.82   -1.20  
1 1 1 36 15 9  o 8.6232  0.1923 7.3458  -79.7000  0.43   -0.71  0.01   0.14   
1 1 1 36 15 10 o 19.945  0.1958 22.241  -56.7000  0.24   -1.05  0.05   0.16   
1 1 1 36 15 11 f 7.8059  0.2211 8.8848  -175.2000 0.29   0.45   0.15   -0.03  
1 1 1 36 15 12 o 8.3657  0.2739 6.2848  41.800    1.83   0.89   -0.08  -0.51  
1 1 1 36 15 13 o 3.0040  0.4677 0.3952  -87.0000  0.01   -0.46  0.09   0.19   
1 1 1 36 15 14 o 18.402  0.2443 15.907  -3.7000   -0.43  0.64   -0.05  0.04   
1 1 1 36 15 15 o 10.345  0.5364 9.2227  62.000    1.59   2.03   0.14   -0.17  
1 1 1 36 15 16 o 22.584  0.1760 22.549  -108.0000 -0.31  -1.02  -0.15  0.02   
1 1 1 36 15 17 o 13.435  0.1885 12.322  10.300    1.43   0.00   0.00   0.25   
1 1 1 36 15 18 f 4.4996  0.4171 7.3694  -55.5000  -0.09  -0.12  -0.00  0.01   
1 1 1 36 15 19 o 9.9543  0.2686 12.011  125.800   -1.29  0.75   0.01   -0.34  
1 1 1 36 15 20 o 5.2526  0.4656 ?       ?         -0.00  -0.30  -0.01  -0.01  
1 1 1 36 15 21 o 5.7419  0.5528 ?       ?         0.74   0.04   0.01   0.02   
1 1 1 36 15 22 o 5.2595  0.6053 ?       ?         0.10   0.05   0.00   0.00   
1 1 1 36 15 23 f 7.8457  0.7498 ?       ?         -1.37  -0.59  0.02   -0.00  
1 1 1 36 16 0  o 16.682  0.1721 16.651  -0.1000   0.02   0.00   0.00   0.00   
1 1 1 36 16 1  o 27.057  0.3198 25.386  -58.2000  -1.60  -4.57  0.68   -1.10  
1 1 1 36 16 2  o 24.541  0.1409 20.646  134.200   0.65   1.28   1.46   0.39   
1 1 1 36 16 3  o 25.735  0.4785 29.000  -38.6000  5.35   -8.75  1.52   1.82   
1 1 1 36 16 4  o 32.555  0.3406 32.067  -152.0000 -5.34  4.04   0.50   2.34   
1 1 1 36 16 5  o 22.280  0.5501 22.494  90.100    3.35   5.63   0.64   -0.69  
1 1 1 36 16 6  o 13.570  0.1351 15.261  54.300    -0.49  0.12   0.58   -0.81  
1 1 1 36 16 7  o 5.3839  0.3415 5.1648  82.200    -1.38  0.66   -0.16  0.14   
1 1 1 36 16 8  o 12.520  0.1667 10.284  39.500    0.23   1.09   0.79   0.97   
1 1 1 36 16 9  o 6.6157  0.2234 8.7066  91.100    0.85   0.44   -0.20  -0.11  
1 1 1 36 16 10 o 8.2030  0.2252 8.1277  -87.7000  -0.18  -1.27  0.41   0.21   
1 1 1 36 16 11 o 3.6815  0.3594 5.1757  7.5000    0.10   0.61   0.10   -0.15  
1 1 1 36 16 12 o 11.906  0.2850 12.005  -39.3000  0.12   1.42   0.16   0.06   
1 1 1 36 16 13 o 25.591  0.6139 25.184  162.700   -10.20 2.13   -1.87  -0.23  
1 1 1 36 16 14 o 22.427  0.3321 21.342  -63.6000  -0.52  0.03   -0.01  -0.01  
1 1 1 36 16 15 o 3.4754  0.4711 3.1463  -13.3000  -0.29  0.07   -0.00  0.02   
1 1 1 36 16 16 o 3.4359  0.4728 2.9387  166.000   -0.08  -0.15  0.01   0.02   
1 1 1 36 16 17 o 10.695  0.2233 10.579  -156.8000 -0.64  -0.22  -0.04  0.04   
1 1 1 36 16 18 o 10.598  0.2370 11.668  78.400    0.74   0.69   0.12   0.14   
1 1 1 36 16 19 o 10.258  0.2945 12.133  -131.7000 -0.21  -0.64  -0.05  0.03   
1 1 1 36 16 20 o 3.4938  0.6462 ?       ?         0.13   -0.02  0.00   -0.00  
1 1 1 36 16 21 o 7.3908  0.4696 ?       ?         -0.23  -0.64  -0.01  0.02   
1 1 1 36 16 22 o 6.5215  0.5710 ?       ?         0.44   -0.47  0.00   -0.01  
1 1 1 36 16 23 o 7.0466  0.5845 ?       ?         -0.81  -0.83  -0.01  0.01   
1 1 1 36 17 0  o 8.5732  0.1827 9.2563  -179.7000 -0.19  0.00   0.00   0.00   
1 1 1 36 17 1  o 10.217  0.1169 7.2739  164.700   -0.96  -0.26  -0.30  -0.07  
1 1 1 36 17 2  o 8.5214  0.1342 5.8242  63.800    -2.29  -0.14  -1.77  0.28   
1 1 1 36 17 3  o 18.877  0.1236 19.458  -126.8000 -0.41  -0.44  0.53   -0.07  
1 1 1 36 17 4  o 4.5057  0.5727 8.0308  -111.7000 4.79   -1.22  -0.67  0.42   
1 1 1 36 17 5  o 21.621  0.2906 20.843  58.100    1.17   1.24   -0.08  -0.20  
1 1 1 36 17 6  o 19.432  0.4913 17.202  -44.9000  10.64  1.37   -2.49  -1.35  
1 1 1 36 17 7  o 14.803  0.1323 15.482  108.500   -0.22  -0.10  0.12   -0.03  
1 1 1 36 17 8  o 22.720  0.1390 24.167  -40.2000  0.83   -1.53  0.98   -1.99  
1 1 1 36 17 9  o 8.8946  0.1818 6.6302  140.000   -0.92  -0.19  0.05   -1.00  
1 1 1 36 17 10 f 16.178  0.1676 15.217  57.400    -0.09  1.40   0.16   0.35   
1 1 1 36 17 11 o 5.3863  0.2862 7.3461  -94.1000  -0.07  0.19   -0.10  0.04   
1 1 1 36 17 12 o 7.7556  0.3715 7.8241  -54.6000  1.20   -1.22  -0.06  0.19   
1 1 1 36 17 13 o 3.8581  0.3749 2.7618  -92.9000  0.19   -0.12  -0.07  -0.05  
1 1 1 36 17 14 o 14.249  0.3443 14.756  94.300    -1.47  1.66   -0.21  0.26   
1 1 1 36 17 15 o 6.4790  0.4062 6.4445  -41.2000  0.46   0.12   -0.01  -0.02  
1 1 1 36 17 16 o 2.6957  0.5843 3.1591  172.100   -0.23  -0.20  0.05   -0.01  
1 1 1 36 17 17 o 2.4257  0.6670 0.6562  85.700    -0.22  0.33   -0.02  0.03   
1 1 1 36 17 18 o 9.5268  0.2843 10.571  95.100    1.09   1.48   -0.29  -0.10  
1 1 1 36 17 19 o 9.4570  0.3125 9.9124  -18.0000  0.61   -0.16  0.05   -0.00  
1 1 1 36 17 20 o 2.7181  0.8069 ?       ?         0.21   -0.44  -0.00  -0.04  
1 1 1 36 17 21 o 6.4284  0.5606 ?       ?         -0.45  -0.27  0.00   0.01   
1 1 1 36 17 22 o 2.8343  0.9179 ?       ?         -0.36  -0.12  0.01   0.01   
1 1 1 36 17 23 o 7.8326  1.1366 ?       ?         -0.43  -0.90  0.01   0.01   
1 1 1 36 18 0  o 11.832  0.2076 9.9070  -179.9000 -0.06  0.00   0.00   0.00   
1 1 1 36 18 1  o 4.9939  0.2821 4.4244  -157.2000 0.57   0.52   -0.01  -0.06  
1 1 1 36 18 2  o 10.920  0.2061 7.8418  58.900    0.22   2.17   0.45   -0.01  
1 1 1 36 18 3  o 8.9353  0.3149 8.6012  121.700   -4.99  0.02   -1.15  0.13   
1 1 1 36 18 4  o 10.449  0.1366 12.467  74.900    -0.33  -0.09  -0.07  0.00   
1 1 1 36 18 5  o 2.9725  0.3086 1.8196  -132.5000 0.20   0.31   0.01   -0.09  
1 1 1 36 18 6  o 4.4775  0.2456 6.3767  27.300    0.21   0.05   -0.17  0.14   
1 1 1 36 18 7  o 7.4959  0.1741 4.3800  3.5000    -0.27  -0.67  1.05   0.59   
1 1 1 36 18 8  o 2.0469  0.5007 3.6249  -25.5000  0.33   0.16   -0.05  -0.03  
1 1 1 36 18 9  o 10.859  0.1662 9.4658  129.200   -0.73  0.37   -0.71  -0.55  
1 1 1 36 18 10 o 7.2758  0.2271 6.5155  79.300    0.36   0.29   -0.05  -0.04  
1 1 1 36 18 11 o 7.8409  0.2140 7.4056  94.900    1.02   0.19   -0.21  0.06   
1 1 1 36 18 12 o 11.904  0.1748 10.541  7.0000    0.21   0.74   0.16   0.08   
1 1 1 36 18 13 o 5.8120  0.3239 3.4729  -63.4000  -0.26  -1.04  0.08   -0.13  
1 1 1 36 18 14 o 15.561  0.2689 14.894  157.200   -2.23  2.50   0.79   0.42   
1 1 1 36 18 15 o 6.0015  0.3187 5.5068  22.600    0.34   -0.51  0.07   0.01   
1 1 1 36 18 16 o 7.2281  0.2957 6.6629  79.300    -0.08  0.05   0.00   0.00   
1 1 1 36 18 17 o 8.5330  0.2545 11.320  -69.3000  1.00   -0.61  -0.19  -0.14  
1 1 1 36 18 18 o 10.712  0.4308 10.195  137.600   -0.42  -1.76  -0.03  -0.17  
1 1 1 36 18 19 o 4.6480  2.0451 3.5965  -11.6000  0.48   -0.60  0.01   0.01   
1 1 1 36 18 20 o 5.9331  0.4819 ?       ?         -0.12  -0.02  0.00   0.00   
1 1 1 36 18 21 o 5.4502  0.7058 ?       ?         -0.11  -0.19  0.00   0.00   
1 1 1 36 18 22 o 3.5061  0.7993 ?       ?         0.72   0.43   0.01   0.04   
1 1 1 36 18 23 o 4.8059  0.7427 ?       ?         -0.10  -0.54  -0.00  0.00   
1 1 1 36 19 0  o 19.189  0.2139 22.181  0.0000    0.09   0.00   0.00   0.00   
1 1 1 36 19 1  o 20.071  0.4163 17.017  -158.6000 2.28   -9.18  2.08   1.75   
1 1 1 36 19 2  o 4.1199  0.3450 2.9083  -47.5000  2.20   -2.40  -0.06  1.10   
1 1 1 36 19 3  o 6.0466  0.3109 5.8964  165.900   1.13   2.63   0.34   -0.46  
1 1 1 36 19 4  o 17.809  0.1229 16.982  13.200    0.11   -0.10  -0.03  -0.03  
1 1 1 36 19 5  o 4.1434  0.5785 1.4732  132.000   -2.74  1.64   -0.17  0.42   
1 1 1 36 19 6  f 5.7959  0.2239 3.4980  -106.9000 -0.03  -1.52  0.38   -0.10  
1 1 1 36 19 7  o 9.5074  0.2445 6.0996  35.800    2.67   -1.53  -0.62  0.59   
1 1 1 36 19 8  o 10.374  0.1473 9.8333  22.800    0.02   -0.38  -0.28  0.23   
1 1 1 36 19 9  o 9.3292  0.1684 10.656  66.200    0.65   0.47   -0.52  0.98   
1 1 1 36 19 10 o 7.4351  0.2044 6.0912  34.400    0.13   0.31   -0.27  0.04   
1 1 1 36 19 11 o 15.297  0.1620 13.346  -74.0000  -0.36  -0.41  0.09   -0.00  
1 1 1 36 19 12 o 10.310  0.1945 11.878  42.900    -0.75  1.33   -0.40  0.76   
1 1 1 36 19 13 o 7.5530  0.2402 6.8965  27.000    -0.10  0.73   -0.31  0.31   
1 1 1 36 19 14 o 7.8997  0.3382 5.9351  31.000    0.55   -0.22  -0.03  0.00   
1 1 1 36 19 15 o 9.0826  0.2358 9.8200  52.400    0.37   0.33   -0.04  0.12   
1 1 1 36 19 16 o 5.7898  0.3441 6.6641  114.900   -0.51  -0.10  0.01   0.09   
1 1 1 36 19 17 o 10.260  0.3242 11.464  -68.3000  0.16   -1.23  0.01   0.12   
1 1 1 36 19 18 o 10.125  0.3037 10.800  175.000   -0.42  0.69   0.04   -0.03  
1 1 1 36 19 19 o 4.2932  1.0414 ?       ?         0.01   -0.36  0.00   -0.00  
1 1 1 36 19 20 o 3.6300  0.7287 ?       ?         -0.05  -0.24  -0.00  0.00   
1 1 1 36 19 21 o 7.6839  0.7634 ?       ?         -0.21  -0.29  0.00   0.00   
1 1 1 36 19 22 o 5.8683  0.6017 ?       ?         -0.32  0.33   0.00   -0.01  
1 1 1 36 19 23 o 5.6733  0.6909 ?       ?         -0.43  -1.24  -0.01  -0.01  
1 1 1 36 20 0  o 13.176  0.2128 10.860  0.1000    -0.27  0.00   0.00   0.00   
1 1 1 36 20 1  o 21.438  0.2896 22.730  60.800    4.75   3.86   -1.91  -2.26  
1 1 1 36 20 2  o 9.5498  0.1647 10.295  -110.9000 -0.23  -0.97  0.55   0.07   
1 1 1 36 20 3  o 8.4676  0.2641 7.0711  -164.8000 -1.97  2.65   0.55   0.96   
1 1 1 36 20 4  o 7.7556  0.2350 6.1045  -80.8000  1.58   -1.66  0.15   0.57   
1 1 1 36 20 5  o 21.211  0.2289 22.341  54.400    0.37   2.25   0.55   0.16   
1 1 1 36 20 6  o 5.9845  0.1990 4.6257  -47.3000  1.16   -0.44  -0.15  0.26   
1 1 1 36 20 7  o 13.928  0.4328 12.048  151.600   -7.46  4.63   -0.45  2.16   
1 1 1 36 20 8  o 8.0758  0.3249 9.7932  170.500   -0.70  -0.45  -0.01  -0.05  
1 1 1 36 20 9  o 5.1126  0.2695 5.1768  63.500    -0.09  -0.35  0.02   -0.08  
1 1 1 36 20 10 o 14.651  0.1502 14.344  75.400    0.48   -0.01  -0.03  -0.06  
1 1 1 36 20 11 o 9.3294  0.1918 7.6738  21.300    1.05   0.33   -0.56  0.38   
1 1 1 36 20 12 o 12.172  0.2926 12.489  -170.1000 1.04   -1.38  -0.06  0.21   
1 1 1 36 20 13 o 6.6077  0.2721 5.3001  93.200    -0.10  0.30   0.01   -0.08  
1 1 1 36 20 14 o 4.0839  0.9494 2.3788  -160.1000 0.20   -0.31  0.00   0.00   
1 1 1 36 20 15 o 5.0785  0.3725 5.3782  -21.4000  0.33   0.13   0.05   0.07   
1 1 1 36 20 16 o 6.7533  0.3149 6.3562  99.100    -0.30  0.30   0.03   0.01   
1 1 1 36 20 17 o 8.0773  0.5152 8.2975  -77.1000  -0.15  -2.96  0.23   -0.34  
1 1 1 36 20 18 o 5.9731  0.4575 4.7231  -129.5000 -0.81  -0.33  -0.04  0.03   
1 1 1 36 20 19 o 6.6793  0.3691 ?       ?         0.49   -0.01  0.02   0.01   
1 1 1 36 20 20 o 5.2611  0.7019 ?       ?         0.67   -0.63  0.03   -0.01  
1 1 1 36 20 21 o 2.1985  1.0226 ?       ?         -0.10  0.27   -0.01  -0.00  
1 1 1 36 20 22 o 3.6855  0.8409 ?       ?         -0.21  0.25   0.00   -0.00  
1 1 1 36 20 23 o 2.7929  1.3379 ?       ?         -0.31  0.40   0.00   -0.01  
1 1 1 36 21 0  o 12.430  0.2018 8.6393  179.900   -0.17  0.00   0.00   0.00   
1 1 1 36 21 1  o 4.7217  0.2427 6.9172  -143.4000 0.05   0.03   -0.02  0.01   
1 1 1 36 21 2  o 3.2867  0.3236 0.9503  -144.7000 -0.37  0.09   -0.26  -0.06  
1 1 1 36 21 3  o 16.476  0.3203 15.733  84.700    -2.78  -0.99  -0.53  -0.17  
1 1 1 36 21 4  o 15.608  0.1885 13.884  -20.0000  0.81   1.08   0.21   -0.20  
1 1 1 36 21 5  o 9.6858  0.1255 10.810  79.400    0.14   0.39   -0.17  -0.29  
1 1 1 36 21 6  o 6.2915  0.2162 8.0165  31.400    -4.72  1.62   -3.68  1.43   
1 1 1 36 21 7  o 14.257  0.1324 14.561  -14.4000  0.62   0.25   0.50   0.57   
1 1 1 36 21 8  o 6.9145  0.1926 5.8309  130.800   -0.23  -0.11  0.17   0.07   
1 1 1 36 21 9  o 7.7820  0.1916 5.8084  52.600    0.92   0.69   0.25   -0.44  
1 1 1 36 21 10 o 14.959  0.1505 12.969  -117.0000 0.37   -1.32  -1.11  0.40   
1 1 1 36 21 11 o 2.8494  0.4390 1.4248  15.500    0.07   0.11   -0.02  -0.02  
1 1 1 36 21 12 o 4.9555  0.3101 4.8580  -62.9000  0.00   -0.49  0.03   0.02   
1 1 1 36 21 13 f 12.045  0.2549 9.2000  138.200   -3.17  -0.20  -0.49  -0.85  
1 1 1 36 21 14 o 6.3377  0.2826 6.6270  -138.2000 1.12   -0.75  -0.29  0.07   
1 1 1 36 21 15 o 8.6372  0.3843 8.6283  149.900   -0.69  -1.91  0.28   0.06   
1 1 1 36 21 16 f 10.093  0.2250 10.709  32.000    0.88   0.49   -0.01  0.21   
1 1 1 36 21 17 o 3.3708  1.4881 3.2681  154.800   -0.22  -0.70  0.05   -0.00  
1 1 1 36 21 18 o 3.2159  0.6518 2.5565  -162.6000 0.41   -0.05  -0.00  -0.03  
1 1 1 36 21 19 o 7.6275  0.3847 ?       ?         0.77   -0.51  0.02   -0.06  
1 1 1 36 21 20 o 10.021  0.3904 ?       ?         -0.77  -0.09  0.02   0.01   
1 1 1 36 21 21 o 7.1420  0.5214 ?       ?         -0.77  0.32   0.01   -0.02  
1 1 1 36 21 22 f 3.4284  0.8955 ?       ?         0.27   -0.00  0.00   0.00   
1 1 1 36 22 0  o 7.4027  0.2355 7.1006  -0.1000   0.28   0.00   0.00   0.00   
1 1 1 36 22 1  o 6.2681  0.1877 6.7878  -45.7000  0.48   0.75   0.80   -0.40  
1 1 1 36 22 2  o 7.0557  0.6053 5.1380  -87.2000  8.38   -12.87 1.43   4.23   
1 1 1 36 22 3  o 7.8279  0.2631 6.9984  25.400    2.91   1.44   -0.82  -0.68  
1 1 1 36 22 4  o 11.174  0.1398 11.061  14.100    0.79   0.69   -0.43  -0.33  
1 1 1 36 22 5  o 7.3865  0.2828 10.177  96.600    1.85   3.70   0.50   -1.03  
1 1 1 36 22 6  o 13.475  0.3668 11.371  117.800   0.12   6.47   1.63   0.45   
1 1 1 36 22 7  o 10.367  0.1458 13.652  33.200    0.80   -0.44  0.38   0.39   
1 1 1 36 22 8  o 11.985  0.3516 13.283  -121.1000 1.71   -1.31  -0.16  0.20   
1 1 1 36 22 9  o 10.822  0.2063 12.316  10.500    1.12   0.53   -0.02  -0.22  
1 1 1 36 22 10 o 9.3876  0.2079 11.430  -72.7000  0.42   -0.63  0.09   0.04   
1 1 1 36 22 11 f 12.614  0.2338 13.496  -24.5000  1.86   0.57   -0.10  -0.39  
1 1 1 36 22 12 o 10.943  0.2554 8.8635  65.100    1.46   -0.06  -0.18  -0.19  
1 1 1 36 22 13 o 5.5506  0.3814 4.8374  132.900   -0.62  -0.11  -0.04  0.01   
1 1 1 36 22 14 o 8.1417  0.2388 8.4443  50.800    0.59   -0.26  0.21   -0.11  
1 1 1 36 22 15 o 3.7214  0.4623 4.8161  -173.0000 -0.37  -0.08  0.06   0.05   
1 1 1 36 22 16 o 5.5454  0.3662 5.2158  -75.8000  0.70   0.04   -0.02  0.08   
1 1 1 36 22 17 o 4.2918  0.5125 3.2039  -8.6000   -0.51  -0.30  0.04   -0.02  
1 1 1 36 22 18 o 4.9117  0.4730 4.4962  -120.0000 -0.29  -0.20  0.01   0.00   
1 1 1 36 22 19 o 1.3416  0.9919 ?       ?         -0.14  0.20   -0.01  -0.01  
1 1 1 36 22 20 o 8.3099  0.4483 ?       ?         -0.39  0.48   -0.00  -0.01  
1 1 1 36 22 21 o 2.8005  0.9506 ?       ?         -0.05  0.13   -0.00  -0.00  
1 1 1 36 22 22 o 5.5461  0.6472 ?       ?         -1.74  -0.46  0.04   0.02   
1 1 1 36 23 0  o 6.5803  0.2346 7.8544  -179.9000 0.10   0.00   0.00   0.00   
1 1 1 36 23 1  o 6.9691  0.1541 6.3949  -92.6000  0.20   -0.16  -0.20  0.05   
1 1 1 36 23 2  o 4.3415  0.2327 2.4533  43.300    0.29   -0.98  0.22   0.07   
1 1 1 36 23 3  o 10.035  0.4033 10.903  -26.2000  2.95   -0.39  -0.27  0.13   
1 1 1 36 23 4  o 2.3252  0.4302 2.6355  -27.8000  -0.33  -0.01  -0.06  0.02   
1 1 1 36 23 5  o 29.233  0.1822 28.960  26.700    3.09   1.43   0.67   2.94   
1 1 1 36 23 6  f 4.4922  0.2178 3.9024  150.300   -0.35  -0.15  0.06   -0.24  
1 1 1 36 23 7  o 4.9349  0.2300 3.6781  3.3000    -0.31  0.02   -0.06  -0.13  
1 1 1 36 23 8  o 7.3592  0.2000 8.4490  -173.7000 -1.26  0.09   -0.47  -0.35  
1 1 1 36 23 9  o 17.486  0.2823 16.603  -141.8000 1.70   -3.44  -0.10  1.03   
1 1 1 36 23 10 o 7.6135  0.2967 8.2294  -145.3000 -0.72  -1.60  0.25   -0.12  
1 1 1 36 23 11 o 8.4267  0.2666 7.8612  -61.2000  1.79   0.40   -0.19  -0.40  
1 1 1 36 23 12 o 5.5625  0.2946 4.8804  27.100    -0.03  -0.02  -0.00  -0.00  
1 1 1 36 23 13 o 14.421  0.2443 12.795  -150.3000 -0.70  -3.19  0.68   0.65   
1 1 1 36 23 14 o 2.9964  1.0238 2.7584  18.500    0.46   0.07   -0.01  -0.01  
1 1 1 36 23 15 o 8.0870  0.2649 8.1190  -94.1000  -0.37  -0.95  0.08   0.22   
1 1 1 36 23 16 o 3.9630  0.4659 4.8622  -43.6000  0.37   0.17   -0.02  0.04   
1 1 1 36 23 17 o 6.0075  0.3703 6.3354  -177.8000 -0.40  0.25   -0.02  -0.01  
1 1 1 36 23 18 o 0.0000  1.9159 ?       ?         0.00   -0.19  -0.01  -0.01  
1 1 1 36 23 19 o 2.8770  1.3494 ?       ?         -0.49  -0.23  0.03   -0.02  
1 1 1 36 23 20 o 10.593  0.3778 ?       ?         -1.65  0.67   0.01   -0.05  
1 1 1 36 23 21 o 5.0330  0.6951 ?       ?         0.28   0.79   -0.01  -0.01  
1 1 1 36 23 22 o 3.8974  0.8487 ?       ?         0.64   0.10   0.01   0.00   
1 1 1 36 24 0  o 12.357  0.3117 13.049  180.000   0.11   0.00   0.00   0.00   
1 1 1 36 24 1  f 11.204  0.2444 13.388  -54.2000  0.79   -2.39  1.79   -0.48  
1 1 1 36 24 2  o 18.222  0.4036 13.368  -111.1000 3.08   0.49   -0.27  -0.22  
1 1 1 36 24 3  o 9.1870  1.0496 3.6379  171.500   11.07  -21.62 2.49   2.85   
1 1 1 36 24 4  o 8.3205  0.1883 7.1559  -150.4000 -1.82  0.79   -0.21  0.67   
1 1 1 36 24 5  o 7.3048  0.1783 8.0790  -8.3000   0.64   0.12   0.07   -0.62  
1 1 1 36 24 6  o 4.4024  0.2067 5.2731  -153.2000 -0.20  -0.22  0.03   -0.04  
1 1 1 36 24 7  o 7.8377  0.1628 5.2148  101.400   -0.66  0.77   -0.36  0.39   
1 1 1 36 24 8  o 8.2779  0.2151 9.5798  -40.9000  1.07   0.32   -0.08  -0.16  
1 1 1 36 24 9  o 3.4797  0.3392 1.0976  87.300    -0.21  -0.40  0.16   -0.00  
1 1 1 36 24 10 o 12.990  0.1647 14.354  -77.3000  0.77   0.05   0.03   -0.23  
1 1 1 36 24 11 f 6.8210  0.2428 6.5244  15.800    -0.83  -0.17  -0.08  0.48   
1 1 1 36 24 12 o 16.325  0.1658 16.309  47.300    -1.16  2.16   -0.70  0.45   
1 1 1 36 24 13 o 2.0066  0.9263 0.7328  53.000    -0.06  0.31   0.01   0.02   
1 1 1 36 24 14 o 4.4649  0.4095 3.6229  13.900    0.40   -0.06  -0.01  0.02   
1 1 1 36 24 15 o 5.9164  0.3115 6.4383  -123.2000 0.10   -0.19  -0.01  0.00   
1 1 1 36 24 16 o 5.8060  0.3539 6.1026  31.600    -0.25  0.03   0.01   -0.01  
1 1 1 36 24 17 o 2.2328  0.7834 2.1504  -16.5000  -0.32  0.09   0.03   -0.01  
1 1 1 36 24 18 o 6.3796  0.7560 ?       ?         -1.07  0.68   -0.05  -0.02  
1 1 1 36 24 19 o 12.246  0.3410 ?       ?         -1.70  0.66   0.06   -0.03  
1 1 1 36 24 20 o 7.0822  0.5363 ?       ?         -0.03  0.33   -0.00  -0.00  
1 1 1 36 24 21 o 3.8695  0.8075 ?       ?         -0.13  0.17   -0.00  -0.00  
1 1 1 36 24 22 o 1.7570  1.2046 ?       ?         -0.77  -0.34  0.02   0.01   
1 1 1 36 25 0  o 7.7006  0.4356 10.896  0.1000    0.08   0.00   0.00   0.00   
1 1 1 36 25 1  o 8.0334  0.2988 8.8557  107.500   0.54   -0.55  0.40   0.06   
1 1 1 36 25 2  o 13.208  0.3825 12.678  172.500   -1.91  -0.02  -0.21  0.13   
1 1 1 36 25 3  o 19.670  0.4912 16.705  132.700   -5.12  0.56   -0.70  -0.15  
1 1 1 36 25 4  o 18.806  0.1463 20.116  117.700   0.52   1.07   -0.66  -0.27  
1 1 1 36 25 5  f 8.6805  0.2377 1.2709  116.900   -1.56  -0.37  -0.18  -0.30  
1 1 1 36 25 6  o 5.9944  0.1814 5.7104  -80.2000  0.30   -0.04  -0.05  -0.16  
1 1 1 36 25 7  o 14.581  0.1875 13.124  -2.4000   1.20   -1.96  0.65   0.23   
1 1 1 36 25 8  o 5.3425  0.2446 4.5863  -85.9000  0.25   -0.67  0.16   0.01   
1 1 1 36 25 9  o 7.4654  0.3440 8.5693  -92.5000  1.62   -5.32  1.14   1.47   
1 1 1 36 25 10 o 6.2498  0.2401 4.7673  -30.8000  -0.40  -0.44  0.09   -0.07  
1 1 1 36 25 11 o 5.5565  0.2699 5.3132  -99.6000  0.65   0.63   0.14   -0.13  
1 1 1 36 25 12 o 6.3152  0.2761 6.6589  89.600    -0.51  0.19   0.18   0.02   
1 1 1 36 25 13 o 10.289  0.1915 9.7742  -44.9000  1.31   -0.27  -0.18  -0.30  
1 1 1 36 25 14 o 8.2293  0.2423 8.1903  -4.4000   -0.14  0.24   -0.02  -0.01  
1 1 1 36 25 15 o 5.6804  0.4215 5.6578  -89.8000  0.67   -0.25  -0.04  -0.01  
1 1 1 36 25 16 o 5.5165  0.3977 4.0316  -69.4000  -0.61  0.13   -0.01  -0.05  
1 1 1 36 25 17 o 10.277  0.2579 10.435  23.200    0.74   1.68   -0.00  0.31   
1 1 1 36 25 18 o 5.4544  0.4764 ?       ?         0.68   0.73   -0.05  0.04   
1 1 1 36 25 19 o 4.6396  0.6480 ?       ?         0.00   0.57   -0.01  0.01   
1 1 1 36 25 20 o 5.8523  0.5995 ?       ?         1.10   0.12   0.02   -0.02  
1 1 1 36 25 21 f 4.0547  0.7943 ?       ?         -0.39  0.79   -0.01  -0.00  
1 1 1 36 26 0  o 12.247  0.3838 7.7181  0.0000    -0.09  0.00   0.00   0.00   
1 1 1 36 26 1  o 16.016  0.2216 16.175  -79.9000  -0.01  -0.07  -0.00  -0.00  
1 1 1 36 26 2  o 22.617  0.4715 22.914  -31.5000  1.57   -3.16  0.41   0.12   
1 1 1 36 26 3  o 4.7743  1.1072 3.9576  2.8000    1.09   0.48   -0.02  -0.04  
1 1 1 36 26 4  o 10.703  0.1820 10.919  116.900   0.17   0.04   0.00   -0.01  
1 1 1 36 26 5  o 7.4269  0.1789 7.7512  -176.6000 -0.08  -0.46  0.03   -0.09  
1 1 1 36 26 6  o 12.795  0.1277 12.484  137.900   0.45   -0.13  0.01   0.08   
1 1 1 36 26 7  o 9.5053  0.2749 9.7457  134.000   -2.22  -1.93  0.16   -0.60  
1 1 1 36 26 8  o 1.9318  0.8903 1.3663  95.000    0.02   -0.33  0.02   -0.00  
1 1 1 36 26 9  o 9.1766  0.3221 8.0170  103.200   -2.07  1.17   -0.29  0.19   
1 1 1 36 26 10 o 15.709  0.1612 12.993  -78.1000  -1.23  -1.08  0.56   0.19   
1 1 1 36 26 11 o 4.2000  0.3469 2.8688  92.300    0.03   0.26   -0.01  0.05   
1 1 1 36 26 12 o 4.9560  0.3294 7.3871  58.900    0.23   0.71   0.13   0.20   
1 1 1 36 26 13 o 4.8209  0.4440 4.4253  111.200   0.16   0.03   -0.00  -0.00  
1 1 1 36 26 14 o 8.2879  0.2943 9.4830  -129.9000 -1.04  -2.39  0.58   0.16   
1 1 1 36 26 15 o 7.3705  0.2893 7.6592  124.400   0.22   0.27   -0.02  0.00   
1 1 1 36 26 16 o 12.812  0.2641 13.938  -62.8000  0.96   -0.71  -0.07  -0.05  
1 1 1 36 26 17 o 5.3417  0.8327 5.4061  -142.3000 0.10   -0.88  0.01   0.02   
1 1 1 36 26 18 f 9.4110  0.6440 ?       ?         2.85   0.42   0.06   -0.18  
1 1 1 36 26 19 o 5.2822  0.6042 ?       ?         -0.52  -0.09  0.01   0.01   
1 1 1 36 26 20 o 8.2552  0.4462 ?       ?         -0.74  -0.53  0.01   0.01   
1 1 1 36 26 21 o 5.7136  0.6476 ?       ?         0.91   -0.70  0.01   -0.00  
1 1 1 36 27 0  o 4.8166  0.6845 6.2506  -0.0000   0.15   0.00   0.00   0.00   
1 1 1 36 27 1  o 10.892  0.2397 13.249  171.600   -0.49  -0.51  0.24   0.16   
1 1 1 36 27 2  o 7.7435  0.4485 5.1923  2.8000    0.39   -0.89  0.01   0.07   
1 1 1 36 27 3  o 5.2245  0.5540 5.0963  7.5000    0.29   -0.20  0.00   0.01   
1 1 1 36 27 4  o 24.851  0.3464 24.453  116.700   -1.75  -1.32  0.16   -0.16  
1 1 1 36 27 5  o 19.117  0.1771 20.076  -171.1000 -1.64  -0.62  0.59   -0.37  
1 1 1 36 27 6  o 10.678  0.1229 11.489  -35.4000  0.73   -1.13  -1.78  -1.70  
1 1 1 36 27 7  o 6.5391  0.1662 7.0028  -169.7000 -0.77  1.00   0.27   0.25   
1 1 1 36 27 8  o 5.4888  0.4015 5.0059  1.2000    0.07   -0.97  0.04   0.02   
1 1 1 36 27 9  o 10.464  0.2923 10.623  -30.2000  0.30   2.22   0.32   0.07   
1 1 1 36 27 10 o 10.252  0.1653 10.361  -10.8000  -0.13  0.63   -0.05  0.12   
1 1 1 36 27 11 o 5.9572  0.2531 5.0870  84.100    -0.04  0.03   -0.00  -0.00  
1 1 1 36 27 12 o 5.5650  0.2861 6.7732  -27.9000  0.27   0.08   -0.02  0.02   
1 1 1 36 27 13 o 7.2529  0.5072 6.9833  87.500    -1.30  2.73   0.00   0.40   
1 1 1 36 27 14 o 6.2784  0.2954 6.1794  9.3000    0.60   0.51   0.14   0.06   
1 1 1 36 27 15 o 2.7290  0.7651 1.9190  -83.9000  0.25   -0.15  0.01   0.01   
1 1 1 36 27 16 o 9.8611  0.2685 9.5703  -139.4000 -0.28  -1.52  -0.24  0.09   
1 1 1 36 27 17 o 1.9807  0.8419 ?       ?         -0.05  -0.33  -0.02  0.01   
1 1 1 36 27 18 o 7.6139  0.4220 ?       ?         -0.04  0.88   -0.02  -0.02  
1 1 1 36 27 19 o 3.7001  0.7848 ?       ?         -0.11  0.11   -0.00  -0.00  
1 1 1 36 27 20 o 4.2969  0.7150 ?       ?         0.24   -0.37  -0.00  -0.00  
1 1 1 36 27 21 o 0.8210  1.1576 ?       ?         -0.04  -0.09  -0.00  0.00   
1 1 1 36 28 0  o 7.8549  0.3530 6.8446  -180.0000 -0.40  0.00   0.00   0.00   
1 1 1 36 28 1  o 5.4184  0.4202 4.7663  136.900   -0.28  0.33   0.12   -0.07  
1 1 1 36 28 2  o 12.167  0.2416 10.129  72.800    0.73   0.72   0.32   0.48   
1 1 1 36 28 3  o 5.5181  0.4009 6.7853  -122.7000 0.21   -0.77  0.03   0.08   
1 1 1 36 28 4  o 8.7943  0.2821 8.5724  36.200    -0.01  0.46   -0.06  0.12   
1 1 1 36 28 5  o 13.128  0.3562 13.823  18.600    0.59   0.58   0.03   -0.03  
1 1 1 36 28 6  o 10.704  0.2937 11.520  98.200    0.53   4.93   1.21   -0.95  
1 1 1 36 28 7  o 13.922  0.1750 9.7415  -112.3000 -2.07  0.03   -0.31  0.84   
1 1 1 36 28 8  o 5.2067  0.2071 5.3221  -21.6000  0.52   0.15   0.19   -0.36  
1 1 1 36 28 9  o 3.1855  0.3536 1.6964  -107.2000 -0.23  -0.44  0.05   -0.02  
1 1 1 36 28 10 o 3.8393  0.3483 1.7427  -70.2000  0.57   0.32   -0.11  -0.01  
1 1 1 36 28 11 o 8.6808  0.2054 8.8144  172.100   -0.75  0.70   -0.28  -0.04  
1 1 1 36 28 12 o 9.0164  0.2595 8.9685  -25.6000  0.22   -0.44  -0.01  0.02   
1 1 1 36 28 13 o 1.7187  0.8261 2.7360  54.600    0.01   0.27   0.01   -0.02  
1 1 1 36 28 14 o 4.1991  0.4171 2.6954  118.300   -0.12  -0.32  -0.04  -0.00  
1 1 1 36 28 15 o 9.2213  0.2682 9.9147  103.300   0.26   2.23   -0.44  0.41   
1 1 1 36 28 16 o 4.7526  0.4211 4.3387  -62.1000  -0.19  -0.17  -0.01  0.01   
1 1 1 36 28 17 o 5.5730  0.4915 ?       ?         0.40   -0.62  -0.03  -0.01  
1 1 1 36 28 18 o 3.2446  0.8345 ?       ?         0.08   -0.38  -0.01  -0.00  
1 1 1 36 28 19 o 2.4204  1.1675 ?       ?         0.01   -0.63  -0.01  0.03   
1 1 1 36 28 20 o 5.3760  0.6303 ?       ?         0.19   -0.88  -0.00  -0.01  
1 1 1 36 28 21 o 3.9087  0.9020 ?       ?         -0.38  -0.81  -0.00  0.00   
1 1 1 36 29 0  o 1.0954  1.1485 4.2442  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 36 29 1  o 2.4169  1.1496 2.3011  -45.7000  -0.04  -0.01  -0.00  0.00   
1 1 1 36 29 2  o 13.142  0.2529 12.692  134.300   1.21   1.66   -0.86  -0.32  
1 1 1 36 29 3  o 4.7549  0.6251 5.3163  127.400   -0.52  -0.81  -0.02  -0.08  
1 1 1 36 29 4  o 3.6436  1.0705 2.4647  120.100   -0.71  -1.40  0.14   -0.10  
1 1 1 36 29 5  o 11.874  0.3046 10.512  -131.7000 -1.25  -2.51  0.56   -0.14  
1 1 1 36 29 6  o 15.636  0.2629 14.647  -64.7000  0.48   0.11   -0.00  -0.02  
1 1 1 36 29 7  o 7.2391  0.1484 7.5714  -14.2000  -0.47  0.72   -0.19  0.30   
1 1 1 36 29 8  o 4.3833  0.2238 2.3185  -58.0000  0.18   -0.28  0.08   0.00   
1 1 1 36 29 9  o 7.8499  0.2701 6.0601  -55.0000  2.19   -2.93  0.93   0.70   
1 1 1 36 29 10 o 7.7804  0.1941 8.9986  -79.0000  1.40   -0.21  -0.18  -0.66  
1 1 1 36 29 11 o 16.131  0.3130 16.906  136.000   -4.72  -2.01  0.20   -1.09  
1 1 1 36 29 12 f 4.7797  0.3370 2.3147  102.200   0.60   0.46   0.10   -0.05  
1 1 1 36 29 13 o 2.3467  0.5604 3.1077  -122.4000 -0.08  0.15   -0.01  -0.02  
1 1 1 36 29 14 o 7.2533  0.2900 7.6035  92.900    0.10   0.79   -0.09  -0.06  
1 1 1 36 29 15 o 10.214  0.2455 9.6339  -59.6000  0.21   1.30   -0.15  -0.05  
1 1 1 36 29 16 o 3.4452  0.5794 2.5943  -162.1000 -0.02  0.24   -0.01  0.00   
1 1 1 36 29 17 o 4.2764  0.6696 ?       ?         -0.12  -0.28  0.00   0.00   
1 1 1 36 29 18 o 5.2057  0.6001 ?       ?         -0.10  -0.04  0.00   0.00   
1 1 1 36 29 19 o 2.2483  1.0074 ?       ?         0.50   -0.35  -0.00  -0.03  
1 1 1 36 29 20 o 8.6847  0.9591 ?       ?         -3.14  0.89   0.05   0.04   
1 1 1 36 30 0  o 7.5895  0.4996 10.721  0.0000    0.50   0.00   0.00   0.00   
1 1 1 36 30 1  o 18.275  0.2059 16.405  143.300   -0.08  2.64   -0.34  -1.17  
1 1 1 36 30 2  o 0.3608  0.7828 2.2973  81.900    -0.10  -0.21  0.06   0.04   
1 1 1 36 30 3  o 12.924  0.2456 11.043  -80.1000  -1.22  -1.05  0.41   0.94   
1 1 1 36 30 4  o 8.0066  0.2936 10.198  -170.5000 -1.12  0.74   -0.73  -0.64  
1 1 1 36 30 5  o 8.5437  0.3753 7.8217  115.700   0.41   1.40   0.04   -0.21  
1 1 1 36 30 6  o 11.650  0.3796 10.286  76.800    -2.04  1.36   -0.30  0.15   
1 1 1 36 30 7  o 14.360  0.3451 16.046  -129.7000 -0.99  -1.09  0.08   -0.07  
1 1 1 36 30 8  o 3.6840  1.0435 3.3630  -17.0000  3.59   -2.09  -0.21  0.29   
1 1 1 36 30 9  o 4.5735  0.2673 4.3456  145.700   -0.35  -0.02  -0.02  -0.03  
1 1 1 36 30 10 o 9.7203  0.4395 8.3399  -28.0000  2.60   -2.59  0.27   0.41   
1 1 1 36 30 11 o 10.498  0.5623 8.6032  14.200    2.43   -0.79  -0.15  0.00   
1 1 1 36 30 12 o 2.2860  0.7807 2.7383  51.300    0.34   0.15   0.00   -0.03  
1 1 1 36 30 13 o 8.4511  0.2281 8.9761  6.7000    0.94   -0.40  0.07   -0.21  
1 1 1 36 30 14 o 8.4568  0.2908 8.5797  74.200    1.15   0.99   0.17   -0.02  
1 1 1 36 30 15 o 2.2470  0.7195 1.7254  47.900    -0.16  0.14   0.00   -0.01  
1 1 1 36 30 16 o 4.0083  0.6596 ?       ?         -0.00  0.66   -0.01  0.02   
1 1 1 36 30 17 o 2.9606  0.8328 ?       ?         0.44   -0.10  0.01   -0.01  
1 1 1 36 30 18 o 5.0762  0.6313 ?       ?         -1.27  0.08   0.03   -0.01  
1 1 1 36 30 19 o 3.6673  0.8397 ?       ?         0.13   0.92   -0.01  0.02   
1 1 1 36 30 20 o 1.6009  1.2971 ?       ?         -0.07  0.20   -0.00  -0.00  
1 1 1 36 31 0  o 9.3327  0.4493 11.429  0.0000    0.23   0.00   0.00   0.00   
1 1 1 36 31 1  o 15.316  0.2386 15.674  -134.5000 -0.73  -0.58  0.07   0.26   
1 1 1 36 31 2  o 7.4035  0.7849 6.6177  2.7000    1.74   2.26   0.16   -0.20  
1 1 1 36 31 3  o 14.310  0.2182 13.302  43.000    0.29   1.19   -0.25  -0.29  
1 1 1 36 31 4  o 8.1969  0.3067 6.9655  -161.5000 -0.05  -0.60  -0.19  -0.05  
1 1 1 36 31 5  o 13.555  0.4770 15.084  20.300    0.40   2.44   0.22   0.08   
1 1 1 36 31 6  o 9.7674  0.3731 7.5988  103.400   -4.37  0.60   -1.09  -0.65  
1 1 1 36 31 7  o 10.242  0.5604 9.8928  -74.1000  0.11   -2.00  0.08   -0.02  
1 1 1 36 31 8  o 4.5306  0.2153 4.8982  -138.8000 -0.31  -0.09  0.04   0.16   
1 1 1 36 31 9  o 12.349  0.3411 11.562  -125.9000 -0.73  2.83   0.11   0.37   
1 1 1 36 31 10 o 9.1963  0.3159 10.130  101.300   -1.17  3.02   0.10   0.53   
1 1 1 36 31 11 o 3.0505  0.4242 3.9354  -152.5000 -0.08  0.14   -0.01  0.00   
1 1 1 36 31 12 o 4.8118  0.3530 3.9158  -80.2000  0.19   0.40   0.02   0.01   
1 1 1 36 31 13 f 7.3522  0.2648 8.7578  -144.9000 -1.48  0.21   0.34   0.19   
1 1 1 36 31 14 o 8.3679  0.2832 8.9784  -60.5000  0.54   -1.45  -0.18  -0.18  
1 1 1 36 31 15 o 4.5684  0.4562 4.5353  -24.7000  -0.11  -0.16  -0.00  -0.00  
1 1 1 36 31 16 o 3.5199  0.7501 ?       ?         -0.24  0.20   -0.01  -0.00  
1 1 1 36 31 17 o 3.4526  0.8327 ?       ?         -0.07  0.07   0.00   -0.00  
1 1 1 36 31 18 o 7.5553  0.7207 ?       ?         -1.02  -1.73  -0.05  -0.01  
1 1 1 36 31 19 o 2.6062  1.2496 ?       ?         -0.17  -0.13  -0.00  0.00   
1 1 1 36 31 20 o 2.9498  1.1998 ?       ?         -0.17  -0.05  0.00   0.00   
1 1 1 36 32 0  o 4.1952  0.7817 2.9391  -0.0000   0.10   0.00   0.00   0.00   
1 1 1 36 32 1  o 11.121  0.4027 10.168  4.1000    2.05   -1.35  0.15   0.36   
1 1 1 36 32 2  o 5.1671  0.4032 4.5996  98.900    -0.65  0.60   0.07   0.08   
1 1 1 36 32 3  o 12.417  0.3974 10.209  -130.1000 0.82   -1.46  0.15   0.03   
1 1 1 36 32 4  o 4.7330  0.4856 3.0461  -51.3000  -0.29  -0.44  -0.12  0.01   
1 1 1 36 32 5  o 4.9729  0.8629 3.5951  64.600    -0.52  -0.39  -0.01  -0.01  
1 1 1 36 32 6  o 12.401  0.5848 11.773  29.300    1.32   2.71   0.29   -0.03  
1 1 1 36 32 7  o 7.2068  0.1927 7.6914  32.700    0.53   0.11   0.06   0.18   
1 1 1 36 32 8  o 14.808  0.1388 14.948  122.400   0.69   2.56   -0.73  -0.69  
1 1 1 36 32 9  o 7.3893  0.1745 6.7682  -104.8000 -2.43  -0.69  -0.91  0.42   
1 1 1 36 32 10 o 5.5361  0.2506 5.0301  -133.7000 0.28   -0.18  -0.03  -0.03  
1 1 1 36 32 11 o 7.4978  0.2119 7.9862  -119.9000 -0.46  -0.09  0.07   -0.01  
1 1 1 36 32 12 o 2.1035  0.5821 3.6246  -0.8000   0.08   0.12   -0.00  0.01   
1 1 1 36 32 13 o 7.7040  0.2728 7.6782  103.200   -0.16  0.74   -0.06  0.02   
1 1 1 36 32 14 o 3.2213  0.5124 4.4040  2.8000    0.35   0.43   -0.04  0.04   
1 1 1 36 32 15 o 7.7194  0.3386 ?       ?         -0.32  -1.87  -0.19  0.01   
1 1 1 36 32 16 o 5.1155  1.0098 ?       ?         0.70   -0.46  -0.02  -0.00  
1 1 1 36 32 17 o 7.9317  0.5615 ?       ?         -0.21  -0.43  0.00   0.00   
1 1 1 36 32 18 o 3.4841  0.8874 ?       ?         -0.34  0.48   0.00   -0.01  
1 1 1 36 32 19 o 4.6695  0.9305 ?       ?         0.53   1.05   -0.00  0.00   
1 1 1 36 33 0  f 3.7417  0.6514 4.7814  0.0000    -0.07  0.00   0.00   0.00   
1 1 1 36 33 1  o 5.9035  0.4306 7.0271  -13.4000  0.53   0.23   0.15   0.05   
1 1 1 36 33 2  o 14.054  0.2402 14.564  4.5000    0.45   -0.57  -0.00  -0.14  
1 1 1 36 33 3  o 5.0726  0.4667 5.7535  -65.3000  0.18   0.11   0.01   -0.00  
1 1 1 36 33 4  o 5.2433  0.8102 5.1928  -46.9000  0.41   -0.91  0.05   0.01   
1 1 1 36 33 5  o 6.5738  0.5302 4.8921  -47.1000  1.10   -0.29  -0.02  0.07   
1 1 1 36 33 6  o 14.654  0.4904 16.879  114.300   3.34   -0.76  -0.07  0.36   
1 1 1 36 33 7  f 10.613  0.1645 10.497  -36.8000  0.73   -1.19  0.19   -0.55  
1 1 1 36 33 8  o 2.3251  0.7502 3.4218  101.300   -0.60  0.05   -0.04  0.03   
1 1 1 36 33 9  o 4.0595  0.2896 4.1383  -126.9000 -0.60  0.61   0.07   0.07   
1 1 1 36 33 10 o 7.8080  0.3884 8.4144  175.400   -2.42  -2.13  0.22   -0.37  
1 1 1 36 33 11 f 8.6932  0.1939 7.8537  -98.9000  0.66   -0.02  0.03   -0.07  
1 1 1 36 33 12 o 3.4682  0.4539 3.7655  167.300   -0.22  0.26   0.02   -0.02  
1 1 1 36 33 13 o 1.5984  0.7089 1.9408  -145.0000 -0.11  -0.12  -0.01  0.01   
1 1 1 36 33 14 o 6.3614  0.3915 5.0791  -110.6000 0.18   -2.22  -0.06  0.28   
1 1 1 36 33 15 o 8.2547  0.4362 ?       ?         -2.72  0.21   0.13   0.20   
1 1 1 36 33 16 o 2.5696  0.9193 ?       ?         -0.18  0.49   -0.01  -0.01  
1 1 1 36 33 17 o 9.4517  0.4448 ?       ?         0.14   0.75   -0.01  0.00   
1 1 1 36 33 18 o 6.8636  0.6172 ?       ?         1.26   -0.44  0.01   -0.01  
1 1 1 36 33 19 o 3.5815  1.2715 ?       ?         -0.22  0.27   0.00   -0.00  
1 1 1 36 34 0  o 8.4321  0.4869 6.2196  180.000   -0.19  0.00   0.00   0.00   
1 1 1 36 34 1  o 12.188  0.2489 10.630  -23.9000  1.16   -0.04  0.05   -0.19  
1 1 1 36 34 2  o 5.0595  0.4943 4.6319  30.500    -0.27  0.32   0.04   -0.02  
1 1 1 36 34 3  o 9.6873  0.3224 9.0718  -19.4000  -0.30  0.98   -0.02  0.08   
1 1 1 36 34 4  o 6.7167  0.4004 5.9038  -110.4000 1.26   -0.70  -0.22  -0.14  
1 1 1 36 34 5  o 7.0100  0.3426 6.9127  77.100    0.29   0.40   0.04   0.02   
1 1 1 36 34 6  o 2.9688  1.3714 1.4190  104.600   0.52   0.25   0.01   -0.04  
1 1 1 36 34 7  o 5.4853  0.4689 5.9078  130.100   0.63   0.56   -0.05  -0.02  
1 1 1 36 34 8  f 3.2299  0.3525 1.6012  -171.9000 -0.17  -0.38  0.04   0.01   
1 1 1 36 34 9  o 6.7003  0.1687 6.3546  -56.4000  1.05   -0.25  0.60   -0.22  
1 1 1 36 34 10 o 4.8535  0.2662 3.7953  -136.7000 -0.12  0.33   0.01   -0.03  
1 1 1 36 34 11 o 6.9912  0.2470 7.0741  37.200    0.71   0.82   0.09   0.22   
1 1 1 36 34 12 o 2.6109  0.5462 0.7295  135.500   -0.02  0.06   -0.00  0.00   
1 1 1 36 34 13 o 3.4746  0.4982 2.5475  61.800    -0.26  0.66   0.03   -0.04  
1 1 1 36 34 14 o 5.8456  0.6484 ?       ?         0.58   1.68   -0.05  -0.07  
1 1 1 36 34 15 o 2.3432  1.1379 ?       ?         -0.45  -0.36  -0.03  0.02   
1 1 1 36 34 16 o 5.6530  0.6551 ?       ?         -0.21  0.54   -0.00  -0.00  
1 1 1 36 34 17 o 4.2252  1.9197 ?       ?         -0.72  0.03   0.00   -0.02  
1 1 1 36 34 18 o 3.0593  1.5065 ?       ?         0.48   0.54   0.00   0.00   
1 1 1 36 34 19 o 3.7388  1.8679 ?       ?         -0.63  -0.59  0.00   -0.00  
1 1 1 36 35 0  f 7.0071  0.5293 8.3569  180.000   -0.33  0.00   0.00   0.00   
1 1 1 36 35 1  o 4.7329  0.4199 4.2858  -37.8000  0.05   0.22   -0.01  -0.01  
1 1 1 36 35 2  o 15.454  0.2336 15.354  -82.7000  1.23   -1.15  -0.12  -0.29  
1 1 1 36 35 3  o 5.3006  0.5718 5.7510  164.900   -1.70  -0.37  -0.03  -0.20  
1 1 1 36 35 4  o 7.9184  0.3791 7.6085  57.400    0.36   -0.17  0.01   0.01   
1 1 1 36 35 5  o 5.3468  0.4299 5.5183  172.900   -0.56  -0.58  0.11   0.05   
1 1 1 36 35 6  o 10.970  0.2812 11.847  -74.0000  -0.78  -2.96  -0.92  -0.36  
1 1 1 36 35 7  o 5.7496  0.4484 5.3977  158.600   0.07   0.04   -0.00  0.00   
1 1 1 36 35 8  o 2.0905  0.5339 2.4691  14.400    -0.06  -0.15  0.01   0.00   
1 1 1 36 35 9  o 2.0200  0.4123 1.7310  -141.5000 0.19   -0.05  -0.01  -0.03  
1 1 1 36 35 10 o 2.5233  0.4330 3.0682  130.600   -0.27  0.00   0.04   -0.01  
1 1 1 36 35 11 o 6.7563  0.2410 7.5177  -50.4000  0.06   -1.44  0.00   -0.21  
1 1 1 36 35 12 o 4.6261  0.3770 3.9930  -100.1000 0.15   0.47   -0.01  -0.02  
1 1 1 36 35 13 o 4.0479  0.4918 3.8629  -49.7000  -0.31  0.14   -0.00  -0.01  
1 1 1 36 35 14 f 2.9580  0.7902 ?       ?         0.37   0.09   0.01   0.01   
1 1 1 36 35 15 f 3.3560  0.8169 ?       ?         -0.07  -0.19  -0.00  0.00   
1 1 1 36 35 16 o 3.1528  1.0000 ?       ?         0.34   -0.22  0.00   -0.00  
1 1 1 36 35 17 o 7.5626  0.7079 ?       ?         -0.54  -0.20  0.00   0.00   
1 1 1 36 35 18 o 4.7247  1.0287 ?       ?         0.13   1.39   -0.00  -0.00  
1 1 1 36 36 0  o 3.9497  0.9549 5.2426  -180.0000 -0.07  0.00   0.00   0.00   
1 1 1 36 36 1  o 7.5033  0.5047 6.7455  90.000    -0.00  -0.00  0.00   0.00   
1 1 1 36 36 2  o 6.4187  0.5174 6.3803  -0.0000   0.57   0.00   0.00   0.00   
1 1 1 36 36 3  o 1.7889  1.1271 0.0291  90.000    0.00   0.08   0.00   0.00   
1 1 1 36 36 4  o 6.7305  0.5479 6.6674  180.000   0.19   0.00   0.00   0.00   
1 1 1 36 36 5  o 0.6325  1.1180 0.8055  90.000    0.00   0.07   0.00   0.00   
1 1 1 36 36 6  o 8.2037  0.4827 6.8697  180.000   -0.39  0.00   0.00   0.00   
1 1 1 36 36 7  o 8.7864  0.3814 9.1423  -90.0000  -0.00  -0.93  0.00   0.00   
1 1 1 36 36 8  o 5.7706  0.2727 6.3629  180.000   0.53   0.00   0.00   0.00   
1 1 1 36 36 9  o 2.5690  0.6135 0.3609  -90.0000  0.00   0.11   0.00   0.00   
1 1 1 36 36 10 o 2.7386  0.5647 2.5791  180.000   -0.30  0.00   0.00   0.00   
1 1 1 36 36 11 o 4.7539  0.4758 3.6667  -90.0000  0.00   0.16   0.00   0.00   
1 1 1 36 36 12 o 4.2071  0.5799 5.1518  180.000   0.17   0.00   0.00   0.00   
1 1 1 36 36 13 o 8.4499  0.5853 ?       ?         0.00   0.58   0.00   0.00   
1 1 1 36 36 14 o 7.9183  0.6406 ?       ?         -0.16  0.00   0.00   0.00   
1 1 1 36 36 15 o 4.0866  1.4071 ?       ?         0.00   0.31   0.00   0.00   
1 1 1 36 36 16 o 7.2595  1.0231 ?       ?         0.02   0.00   0.00   0.00   
1 1 1 36 36 17 o 4.6690  1.5007 ?       ?         -0.00  -0.51  0.00   0.00   
1 1 1 37 0  1  o 6.1156  0.2511 1.1281  43.900    0.09   0.09   0.00   0.00   
1 1 1 37 0  2  o 35.960  0.2691 35.096  180.000   0.23   0.00   0.00   0.00   
1 1 1 37 0  3  o 8.4912  0.2404 5.8960  134.600   0.00   -0.00  0.00   0.00   
1 1 1 37 0  4  o 45.405  0.2834 41.616  90.000    0.00   0.79   0.00   0.00   
1 1 1 37 0  5  o 31.300  0.2362 23.432  45.000    0.45   0.45   0.00   0.00   
1 1 1 37 0  6  o 19.478  0.2359 18.167  -0.0000   -0.30  0.00   0.00   0.00   
1 1 1 37 0  7  o 17.473  0.1953 17.585  -44.9000  0.14   -0.14  0.00   0.00   
1 1 1 37 0  8  o 5.9582  0.3483 7.2592  90.000    0.00   0.08   0.00   0.00   
1 1 1 37 0  9  f 15.495  0.2352 8.9653  45.000    -0.42  -0.42  0.00   0.00   
1 1 1 37 0  10 o 6.7082  0.3266 3.5465  -179.8000 -0.04  0.00   0.00   0.00   
1 1 1 37 0  11 o 0.0000  2.1213 2.7770  -44.8000  0.01   -0.01  0.00   0.00   
1 1 1 37 0  12 o 4.3128  0.4587 8.2756  90.000    -0.00  -0.07  0.00   0.00   
1 1 1 37 0  13 o 15.050  0.2323 13.089  -135.0000 0.07   0.07   0.00   0.00   
1 1 1 37 0  14 o 15.890  0.2203 13.691  180.000   -0.21  0.00   0.00   0.00   
1 1 1 37 0  15 o 4.4385  0.4665 4.8810  135.000   -0.02  0.02   0.00   0.00   
1 1 1 37 0  16 o 0.0000  2.3022 0.6116  -90.0000  0.00   0.02   0.00   0.00   
1 1 1 37 0  17 o 0.0000  2.3875 0.8813  45.000    -0.01  -0.01  0.00   0.00   
1 1 1 37 0  18 o 12.629  0.2902 13.392  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 37 0  19 o 4.3818  0.6750 4.0081  135.000   -0.27  0.27   0.00   0.00   
1 1 1 37 0  20 o 5.3009  0.5601 4.5495  90.000    0.00   0.18   0.00   0.00   
1 1 1 37 0  21 o 1.8439  0.9572 ?       ?         -0.02  -0.02  0.00   0.00   
1 1 1 37 0  22 o 4.7434  0.8839 ?       ?         0.16   0.00   0.00   0.00   
1 1 1 37 0  23 o 3.2249  1.3720 ?       ?         0.02   -0.02  0.00   0.00   
1 1 1 37 1  0  o 6.2209  0.2768 3.6889  -179.9000 0.04   0.00   0.00   0.00   
1 1 1 37 1  1  o 17.373  0.4108 16.467  19.600    1.77   8.71   2.57   -0.75  
1 1 1 37 1  2  o 13.504  0.1281 9.5831  11.400    0.76   0.26   -0.23  -0.45  
1 1 1 37 1  3  o 23.620  0.6424 27.092  115.200   2.84   21.55  6.99   -1.08  
1 1 1 37 1  4  f 20.913  0.2930 25.569  -176.8000 -3.38  -2.86  0.21   -1.62  
1 1 1 37 1  5  o 14.285  0.1455 16.248  61.800    1.56   -0.50  -0.54  0.97   
1 1 1 37 1  6  o 4.6608  0.3239 3.8098  -152.0000 -0.66  0.73   0.03   0.12   
1 1 1 37 1  7  o 3.4795  0.3469 3.5469  -172.2000 -0.06  0.09   -0.16  0.07   
1 1 1 37 1  8  o 24.957  0.1435 27.339  -82.7000  2.26   -0.58  -1.42  -0.75  
1 1 1 37 1  9  o 15.182  0.1370 16.020  -33.3000  -0.32  -0.55  -0.17  -0.31  
1 1 1 37 1  10 o 2.2877  0.5299 3.5594  57.300    0.12   0.22   0.02   -0.02  
1 1 1 37 1  11 o 18.202  0.3037 17.339  -160.3000 0.06   -4.18  1.07   0.63   
1 1 1 37 1  12 o 13.368  0.4099 14.306  90.300    -0.31  3.42   0.46   0.29   
1 1 1 37 1  13 o 12.216  0.4508 10.248  85.000    0.03   2.72   0.26   -0.09  
1 1 1 37 1  14 o 5.4400  0.3088 5.2817  171.900   -0.19  -0.62  0.10   -0.00  
1 1 1 37 1  15 o 8.1553  0.2654 9.4019  -106.9000 1.37   -0.50  -0.32  0.04   
1 1 1 37 1  16 o 9.4695  0.2346 9.5564  123.700   -2.29  0.56   -0.81  -0.36  
1 1 1 37 1  17 o 17.148  0.1630 18.019  90.800    -3.58  0.97   -1.06  -1.67  
1 1 1 37 1  18 o 9.3368  0.5548 9.6074  24.900    2.53   -0.11  -0.18  0.14   
1 1 1 37 1  19 o 1.9504  0.7250 3.6602  73.800    -0.09  -0.03  0.01   0.01   
1 1 1 37 1  20 o 4.3229  0.4621 4.0795  -137.9000 -0.45  0.65   0.06   0.00   
1 1 1 37 1  21 o 2.3105  1.1112 ?       ?         0.25   0.06   -0.01  0.01   
1 1 1 37 1  22 o 3.1954  1.0523 ?       ?         0.31   0.06   0.01   -0.01  
1 1 1 37 1  23 o 0.4270  1.0240 ?       ?         0.15   0.18   -0.00  0.01   
1 1 1 37 1  24 o 5.0892  1.4955 ?       ?         -0.40  -0.32  0.00   0.00   
1 1 1 37 2  0  o 20.625  0.1850 14.526  0.0000    0.17   0.00   0.00   0.00   
1 1 1 37 2  1  o 27.009  0.1584 29.903  127.200   -1.05  -0.05  -0.23  -0.19  
1 1 1 37 2  2  o 29.357  0.1472 33.757  71.100    0.38   0.65   -0.81  -0.42  
1 1 1 37 2  3  o 12.208  0.2152 11.613  -123.1000 -3.26  0.72   -1.43  0.39   
1 1 1 37 2  4  o 26.544  0.2240 28.521  126.200   -2.01  1.66   -0.53  0.71   
1 1 1 37 2  5  o 10.044  0.1673 8.1263  158.400   0.18   0.11   -0.13  -0.02  
1 1 1 37 2  6  o 5.2101  0.3241 1.8249  -160.1000 -3.35  -0.71  -1.21  -0.37  
1 1 1 37 2  7  o 9.5250  0.1601 6.0974  163.600   -0.48  0.64   0.29   0.32   
1 1 1 37 2  8  o 11.564  0.1594 12.811  -152.0000 -0.08  -1.49  0.62   0.23   
1 1 1 37 2  9  o 5.0080  0.3843 5.2510  83.900    -0.33  0.72   0.03   0.05   
1 1 1 37 2  10 o 9.0148  0.5485 10.875  -40.2000  3.27   -0.97  -0.26  0.12   
1 1 1 37 2  11 o 13.093  0.1531 13.597  15.300    0.04   -0.84  -0.71  -1.09  
1 1 1 37 2  12 o 10.052  0.2482 7.7608  175.000   -0.78  -1.08  -0.05  -0.24  
1 1 1 37 2  13 o 8.7670  0.2152 9.9555  -105.1000 0.45   -0.56  -0.72  -0.91  
1 1 1 37 2  14 o 11.416  0.3336 14.836  117.100   -5.19  1.31   -1.92  0.16   
1 1 1 37 2  15 o 10.292  0.1947 7.6044  103.500   0.14   0.10   -0.02  0.02   
1 1 1 37 2  16 o 6.2206  0.3049 7.2026  -153.5000 0.04   -0.13  0.00   -0.01  
1 1 1 37 2  17 o 8.5429  0.2447 9.9979  -162.2000 0.10   -0.28  -0.05  0.01   
1 1 1 37 2  18 o 13.421  0.2436 14.055  69.000    0.27   0.65   0.04   0.03   
1 1 1 37 2  19 o 6.7513  0.4986 8.9646  47.200    -1.95  1.29   -0.36  0.10   
1 1 1 37 2  20 o 7.4793  0.3209 7.1918  102.900   -0.03  -0.02  -0.00  0.00   
1 1 1 37 2  21 o 4.4200  0.5780 ?       ?         -1.24  0.55   -0.12  -0.05  
1 1 1 37 2  22 o 4.1707  0.6550 ?       ?         0.15   -0.02  0.00   0.00   
1 1 1 37 2  23 o 7.8854  0.5776 ?       ?         0.05   0.67   -0.01  0.01   
1 1 1 37 2  24 o 8.1179  1.0739 ?       ?         -0.91  -0.45  0.00   0.00   
1 1 1 37 3  0  o 19.824  0.1824 22.501  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 37 3  1  o 10.269  0.1522 7.6091  -177.2000 -0.45  0.35   -0.04  0.08   
1 1 1 37 3  2  o 28.252  0.1667 26.797  27.600    0.37   3.37   2.51   0.86   
1 1 1 37 3  3  o 29.528  0.5077 31.668  -106.2000 -9.26  -6.27  -2.01  -2.81  
1 1 1 37 3  4  o 11.591  0.2156 12.661  49.400    1.24   1.20   0.07   -0.42  
1 1 1 37 3  5  o 6.7480  0.1924 7.6286  -38.1000  1.16   0.40   -1.03  -0.38  
1 1 1 37 3  6  o 16.914  0.1448 13.607  2.0000    -0.51  -0.09  1.32   0.47   
1 1 1 37 3  7  f 14.339  0.2282 12.539  -179.3000 -0.64  -0.73  -0.01  -0.10  
1 1 1 37 3  8  o 13.722  0.1374 13.169  99.600    0.29   0.01   0.21   -0.23  
1 1 1 37 3  9  o 4.8809  0.6848 6.5475  141.100   1.29   2.26   0.13   -0.18  
1 1 1 37 3  10 o 16.821  0.2701 19.665  -147.3000 -0.46  -3.65  0.97   0.12   
1 1 1 37 3  11 o 11.333  0.3373 11.636  -0.8000   -3.17  -0.73  -0.47  -0.44  
1 1 1 37 3  12 o 6.8081  0.2437 6.1642  88.500    0.92   1.38   -0.51  -1.19  
1 1 1 37 3  13 o 10.754  0.2550 11.949  -142.8000 -0.36  -1.77  0.39   0.04   
1 1 1 37 3  14 o 2.7748  1.2732 2.6681  -70.5000  -0.41  -0.18  -0.01  -0.01  
1 1 1 37 3  15 o 11.658  0.1945 12.225  158.600   -0.19  -0.26  0.04   0.02   
1 1 1 37 3  16 o 5.6108  0.7096 6.0649  145.500   -1.46  -0.27  -0.09  -0.00  
1 1 1 37 3  17 o 8.6338  0.2313 9.7189  171.600   0.39   -0.65  -0.28  0.05   
1 1 1 37 3  18 o 14.945  0.1841 15.789  -88.3000  -0.54  -1.59  -0.56  -0.00  
1 1 1 37 3  19 o 6.9115  0.3166 7.0270  -165.2000 -0.32  0.69   -0.05  0.07   
1 1 1 37 3  20 o 1.7803  0.8062 2.8581  92.600    0.13   0.17   0.02   0.01   
1 1 1 37 3  21 o 2.4161  0.7368 ?       ?         -0.21  0.09   0.01   -0.02  
1 1 1 37 3  22 o 4.8466  0.5581 ?       ?         1.02   -0.39  0.08   0.01   
1 1 1 37 3  23 f 8.1007  0.5172 ?       ?         -0.29  0.07   0.00   -0.00  
1 1 1 37 3  24 o 7.3075  1.2563 ?       ?         0.49   0.25   0.00   0.00   
1 1 1 37 4  0  o 20.895  0.2319 20.316  179.900   0.24   0.00   0.00   0.00   
1 1 1 37 4  1  o 23.340  0.1676 22.965  27.300    1.13   0.57   -0.29  -0.17  
1 1 1 37 4  2  o 10.312  0.3668 16.771  155.000   -2.45  6.02   1.46   1.21   
1 1 1 37 4  3  o 8.2039  0.1558 4.7156  109.700   0.32   0.18   0.22   -0.56  
1 1 1 37 4  4  o 18.736  0.3520 17.266  -127.0000 -4.59  1.79   -0.77  1.07   
1 1 1 37 4  5  o 15.111  0.3318 13.329  -26.1000  2.34   0.14   -0.29  0.02   
1 1 1 37 4  6  o 11.303  0.1750 12.804  -8.1000   0.42   0.53   1.13   -0.30  
1 1 1 37 4  7  o 16.555  0.1332 12.418  -78.2000  0.83   -0.25  -0.42  -0.03  
1 1 1 37 4  8  o 7.5766  0.1902 7.0083  -47.0000  0.31   0.05   0.01   -0.38  
1 1 1 37 4  9  o 14.118  0.4686 16.798  0.0000    3.95   -0.57  -0.47  0.05   
1 1 1 37 4  10 o 17.403  0.1787 18.440  -165.2000 0.16   -0.97  0.09   0.13   
1 1 1 37 4  11 o 7.2732  0.3977 9.4080  -143.3000 -4.57  -4.11  0.26   -2.27  
1 1 1 37 4  12 o 13.643  0.4517 14.362  168.400   -5.39  -1.61  -0.73  -0.98  
1 1 1 37 4  13 o 15.241  0.1671 15.232  30.600    1.39   -0.30  0.25   0.74   
1 1 1 37 4  14 f 4.1139  0.3881 1.5309  -161.7000 -0.36  -0.22  -0.00  -0.03  
1 1 1 37 4  15 o 9.7063  0.4501 11.222  -125.9000 -1.80  -1.80  -0.16  -0.31  
1 1 1 37 4  16 o 11.067  0.2092 9.9881  -38.9000  -0.06  -0.67  -0.23  -0.13  
1 1 1 37 4  17 o 11.910  0.3562 11.501  114.300   -0.50  0.18   -0.00  0.02   
1 1 1 37 4  18 o 3.2249  0.5421 2.6933  -1.0000   0.12   -0.25  -0.05  -0.03  
1 1 1 37 4  19 o 3.8997  0.5223 4.5550  -147.8000 -0.24  -0.51  -0.01  -0.04  
1 1 1 37 4  20 o 1.7609  0.8307 0.9095  12.300    0.01   -0.13  -0.00  -0.01  
1 1 1 37 4  21 o 8.6134  0.3066 ?       ?         -0.74  -0.83  0.09   0.07   
1 1 1 37 4  22 o 5.7898  0.5121 ?       ?         -0.63  0.56   0.04   -0.00  
1 1 1 37 4  23 o 4.7595  0.7739 ?       ?         -0.69  0.20   0.01   -0.02  
1 1 1 37 4  24 o 2.1448  1.9650 ?       ?         0.14   0.21   0.00   0.00   
1 1 1 37 5  0  o 7.8038  0.2120 6.7654  179.900   -0.02  0.00   0.00   0.00   
1 1 1 37 5  1  o 7.9530  0.1563 7.0456  -14.0000  0.07   -0.30  0.03   0.02   
1 1 1 37 5  2  o 8.2995  0.2111 9.9889  -31.4000  -0.75  -2.64  0.99   -0.45  
1 1 1 37 5  3  f 12.257  0.1365 11.694  34.500    -0.61  1.49   3.06   0.44   
1 1 1 37 5  4  o 25.840  0.5907 25.947  3.6000    9.40   -2.03  -1.47  1.00   
1 1 1 37 5  5  o 36.288  0.4049 36.258  -140.3000 0.06   3.31   0.44   -0.24  
1 1 1 37 5  6  o 19.419  0.1425 13.434  55.600    -0.25  0.92   0.11   0.63   
1 1 1 37 5  7  o 12.504  0.1367 11.293  50.300    0.38   -0.42  0.96   0.23   
1 1 1 37 5  8  o 10.693  0.1697 8.1514  -113.3000 0.19   -0.31  -0.51  0.09   
1 1 1 37 5  9  o 6.9717  0.2198 4.3490  -141.6000 -0.97  -0.69  -0.01  -0.30  
1 1 1 37 5  10 o 13.385  0.1459 12.900  59.200    -0.49  0.88   -0.18  0.53   
1 1 1 37 5  11 o 13.978  0.1461 14.831  120.800   0.04   0.09   0.00   0.02   
1 1 1 37 5  12 o 11.075  0.3201 10.375  -126.7000 0.17   -4.54  1.48   0.82   
1 1 1 37 5  13 o 3.4495  0.4148 3.2486  -70.9000  0.07   0.05   -0.00  -0.00  
1 1 1 37 5  14 o 9.2355  0.2147 9.6090  -1.8000   1.27   -0.96  -0.33  0.29   
1 1 1 37 5  15 o 2.8751  0.5414 1.8473  -170.0000 -0.57  0.08   -0.09  -0.04  
1 1 1 37 5  16 o 5.8765  0.4054 6.0674  -105.4000 0.85   -0.19  -0.04  0.07   
1 1 1 37 5  17 o 3.5671  0.4651 1.9744  -79.7000  0.10   -0.16  -0.03  -0.02  
1 1 1 37 5  18 o 3.6938  0.4773 3.4088  -11.5000  0.15   0.05   0.02   0.00   
1 1 1 37 5  19 o 5.7479  0.3467 6.2920  113.500   -0.09  -0.11  -0.00  -0.00  
1 1 1 37 5  20 f 2.5589  0.6550 5.4768  14.000    0.10   -0.11  0.01   0.00   
1 1 1 37 5  21 o 1.8254  0.9342 ?       ?         -0.16  0.02   0.00   0.01   
1 1 1 37 5  22 o 8.0890  0.5292 ?       ?         -0.30  0.18   -0.00  -0.00  
1 1 1 37 5  23 o 6.0562  1.6096 ?       ?         -2.35  0.33   -0.03  0.11   
1 1 1 37 5  24 o 0.0000  4.4159 ?       ?         0.12   0.16   0.00   0.00   
1 1 1 37 6  0  o 6.1887  0.2409 1.4806  -179.9000 -0.06  0.00   0.00   0.00   
1 1 1 37 6  1  o 7.3617  0.2932 8.1974  25.300    0.80   -1.42  0.09   0.18   
1 1 1 37 6  2  o 23.014  0.1478 25.597  103.900   0.24   1.27   0.31   -0.61  
1 1 1 37 6  3  o 4.9793  0.4322 4.3902  161.100   0.42   -1.84  0.19   0.11   
1 1 1 37 6  4  f 25.993  0.2649 27.273  2.9000    2.13   -1.15  -0.46  0.32   
1 1 1 37 6  5  o 15.506  0.3584 13.592  -128.8000 -2.86  2.06   -0.08  0.63   
1 1 1 37 6  6  o 22.023  0.2058 20.324  -171.8000 -2.87  1.65   -1.32  0.89   
1 1 1 37 6  7  o 19.125  0.1667 18.840  20.700    2.21   -0.60  -0.54  0.76   
1 1 1 37 6  8  o 10.796  0.2339 12.740  100.800   1.86   1.65   0.14   -0.81  
1 1 1 37 6  9  o 19.973  0.1378 21.917  -16.2000  0.94   0.10   0.05   1.06   
1 1 1 37 6  10 o 15.874  0.1453 17.335  -32.5000  1.40   0.51   0.37   -1.36  
1 1 1 37 6  11 o 7.4186  0.3603 6.0475  160.900   -2.71  -0.37  -0.49  -0.29  
1 1 1 37 6  12 o 8.9478  0.4633 7.9376  84.500    -1.65  3.42   0.25   0.60   
1 1 1 37 6  13 o 11.848  0.1730 10.991  -102.7000 -1.43  0.67   -1.08  -0.43  
1 1 1 37 6  14 o 15.584  0.1746 15.128  -100.3000 -0.20  -0.54  -0.11  -0.11  
1 1 1 37 6  15 o 11.678  0.1929 11.874  29.300    0.64   -0.16  0.10   0.14   
1 1 1 37 6  16 o 10.648  0.2009 9.0032  167.200   -0.65  -0.12  0.22   -0.07  
1 1 1 37 6  17 o 13.705  0.1953 16.068  -109.8000 0.36   -2.51  -0.17  1.05   
1 1 1 37 6  18 o 7.8052  0.2988 7.1456  42.200    -0.46  0.03   -0.01  0.03   
1 1 1 37 6  19 o 6.5232  0.4312 8.6129  -113.0000 -0.20  -0.88  0.06   0.04   
1 1 1 37 6  20 o 7.7770  0.3344 7.0840  79.400    0.01   0.13   0.00   -0.00  
1 1 1 37 6  21 o 6.8147  0.3653 ?       ?         -0.11  -1.33  -0.12  -0.15  
1 1 1 37 6  22 o 4.9535  0.5817 ?       ?         -1.16  0.18   0.09   -0.03  
1 1 1 37 6  23 o 7.3901  1.1785 ?       ?         -0.34  -0.42  0.00   0.00   
1 1 1 37 6  24 o 2.9736  1.5639 ?       ?         -0.33  -0.48  -0.00  0.01   
1 1 1 37 7  0  o 16.432  0.2222 19.547  -180.0000 0.32   0.00   0.00   0.00   
1 1 1 37 7  1  o 12.248  0.4471 7.8449  -84.9000  -4.34  -7.91  1.54   -1.96  
1 1 1 37 7  2  o 28.418  0.1482 28.418  26.000    -0.43  0.65   0.36   0.02   
1 1 1 37 7  3  o 20.439  0.1633 19.943  157.700   -0.33  3.61   2.83   -0.77  
1 1 1 37 7  4  o 3.6545  0.3025 4.0782  149.100   -0.83  0.75   0.00   0.23   
1 1 1 37 7  5  f 10.977  0.1430 13.310  98.800    -0.77  0.79   0.54   0.86   
1 1 1 37 7  6  o 6.8860  0.1913 11.616  141.400   -1.07  -0.40  -0.23  -0.32  
1 1 1 37 7  7  o 8.1431  0.1775 6.9450  94.700    1.36   0.55   -0.70  -0.35  
1 1 1 37 7  8  o 16.933  0.1375 14.592  152.700   -0.73  0.17   -0.23  -0.93  
1 1 1 37 7  9  o 22.965  0.4011 23.576  -132.6000 -1.60  1.27   0.02   0.16   
1 1 1 37 7  10 o 4.7739  0.3145 4.5350  -88.4000  0.33   -0.26  0.96   -0.17  
1 1 1 37 7  11 o 21.466  0.1478 18.500  -45.4000  0.46   -0.97  0.30   -0.61  
1 1 1 37 7  12 o 19.709  0.5737 20.888  130.500   -0.34  5.93   0.64   0.33   
1 1 1 37 7  13 o 16.749  0.1606 18.786  23.700    0.13   0.69   -0.27  0.23   
1 1 1 37 7  14 o 13.303  0.1673 12.590  -71.2000  -0.29  -1.41  0.11   -0.60  
1 1 1 37 7  15 o 19.054  0.1633 22.112  -49.4000  0.78   -0.53  -0.14  -0.09  
1 1 1 37 7  16 f 10.299  0.2061 9.6349  102.500   0.76   -0.09  -0.05  -0.15  
1 1 1 37 7  17 o 16.810  0.2040 17.408  -16.0000  1.32   -0.89  0.25   0.06   
1 1 1 37 7  18 o 5.5989  0.4403 6.0950  138.900   -1.78  -0.78  0.09   -0.37  
1 1 1 37 7  19 o 2.6280  1.2291 2.1360  -67.9000  0.14   0.23   -0.00  -0.01  
1 1 1 37 7  20 o 0.3536  0.7700 0.5063  121.600   -0.12  0.12   0.01   -0.02  
1 1 1 37 7  21 o 5.0241  0.9505 ?       ?         -0.01  0.06   0.00   -0.00  
1 1 1 37 7  22 o 2.6348  1.2183 ?       ?         -0.60  -0.05  0.01   0.05   
1 1 1 37 7  23 o 3.2565  0.9946 ?       ?         -0.18  0.12   -0.00  -0.00  
1 1 1 37 7  24 f 0.0000  3.0417 ?       ?         0.08   0.41   -0.01  0.00   
1 1 1 37 8  0  o 9.9247  0.2457 1.1904  178.700   -0.13  0.00   0.00   0.00   
1 1 1 37 8  1  o 11.040  0.7563 10.084  107.300   -6.87  22.86  5.07   3.76   
1 1 1 37 8  2  o 6.8738  0.1833 9.2236  -72.6000  0.90   -1.89  0.80   0.68   
1 1 1 37 8  3  o 15.109  0.1354 20.154  57.100    -0.23  -0.00  -0.05  0.05   
1 1 1 37 8  4  o 15.809  0.2402 10.979  -99.7000  1.84   -3.85  1.42   1.06   
1 1 1 37 8  5  o 13.201  0.4461 8.8804  -73.6000  5.21   -2.26  -0.68  0.58   
1 1 1 37 8  6  o 25.311  0.1524 24.069  113.100   2.38   3.21   -2.11  -3.98  
1 1 1 37 8  7  o 11.861  0.3352 10.989  19.500    2.14   2.09   0.05   -0.43  
1 1 1 37 8  8  o 22.986  0.3583 18.591  64.700    2.71   1.65   -0.40  -0.35  
1 1 1 37 8  9  o 14.270  0.1492 13.354  170.400   -0.57  0.37   1.05   0.10   
1 1 1 37 8  10 o 6.6432  0.3306 8.9580  102.600   -0.73  0.78   -0.02  0.10   
1 1 1 37 8  11 o 6.8024  0.3401 7.0117  -141.5000 -0.57  0.37   -0.03  0.03   
1 1 1 37 8  12 o 15.449  0.3399 14.703  45.000    3.95   0.55   -0.65  -0.58  
1 1 1 37 8  13 o 6.0623  0.5250 4.3792  100.000   0.21   1.24   0.07   -0.05  
1 1 1 37 8  14 o 15.879  0.1725 17.549  -128.0000 -0.48  -1.21  -0.94  -0.13  
1 1 1 37 8  15 o 6.0617  0.2957 6.7471  -59.0000  -0.13  0.10   -0.02  -0.00  
1 1 1 37 8  16 o 8.2222  0.2520 8.8418  9.4000    0.16   -0.10  -0.01  -0.01  
1 1 1 37 8  17 o 4.6165  0.4255 4.6207  53.900    0.08   -0.25  0.01   -0.03  
1 1 1 37 8  18 o 9.0514  0.2566 8.4281  -11.8000  -0.03  -0.07  -0.00  0.00   
1 1 1 37 8  19 o 2.7415  0.6238 2.3245  -77.8000  -0.11  -0.07  0.00   0.01   
1 1 1 37 8  20 o 6.4521  0.4204 7.6001  -85.3000  -0.06  -0.54  0.01   0.02   
1 1 1 37 8  21 o 5.9597  0.4632 ?       ?         0.38   -0.25  0.02   -0.00  
1 1 1 37 8  22 o 6.4512  0.4864 ?       ?         -0.11  0.65   -0.02  -0.01  
1 1 1 37 8  23 o 3.6630  1.4429 ?       ?         -1.02  0.12   0.02   -0.05  
1 1 1 37 8  24 f 1.4079  1.4638 ?       ?         -0.01  -0.62  -0.01  0.00   
1 1 1 37 9  0  o 3.6469  0.3715 0.2598  177.500   0.01   0.00   0.00   0.00   
1 1 1 37 9  1  o 26.136  0.1464 27.372  19.000    0.50   -0.02  0.00   0.29   
1 1 1 37 9  2  f 6.1564  0.1855 5.1282  73.400    -0.38  0.42   0.17   0.33   
1 1 1 37 9  3  o 12.590  0.1696 9.7811  13.000    0.83   -3.27  2.44   0.54   
1 1 1 37 9  4  o 39.945  0.1857 40.820  -139.5000 -1.65  -2.07  1.46   -0.26  
1 1 1 37 9  5  o 14.942  0.1265 10.934  -172.7000 -0.09  -0.39  -0.25  -0.52  
1 1 1 37 9  6  o 7.6438  0.5490 4.4583  -6.1000   3.79   9.29   1.75   -1.48  
1 1 1 37 9  7  o 12.593  0.1382 8.7243  132.100   -1.03  -0.05  -0.54  -1.14  
1 1 1 37 9  8  f 19.319  0.1611 20.038  96.600    0.68   0.51   -0.13  -0.10  
1 1 1 37 9  9  o 14.314  0.2529 15.904  -7.5000   3.42   -0.39  -1.14  -0.12  
1 1 1 37 9  10 o 8.6117  0.2664 7.7116  179.000   -1.47  0.13   -0.22  -0.02  
1 1 1 37 9  11 o 17.795  0.3353 18.462  -133.5000 0.37   -0.54  -0.01  0.03   
1 1 1 37 9  12 o 11.880  0.4755 13.906  -47.9000  2.86   2.31   0.05   -0.48  
1 1 1 37 9  13 o 4.9784  0.4618 4.3211  -136.5000 0.77   0.96   -0.01  -0.13  
1 1 1 37 9  14 o 3.4341  0.4403 3.2008  46.700    -0.07  0.01   0.00   -0.01  
1 1 1 37 9  15 o 14.045  0.4896 15.139  -43.4000  4.00   1.40   -0.23  -0.65  
1 1 1 37 9  16 o 6.4349  0.3012 4.6098  -69.3000  -0.04  0.18   -0.01  -0.02  
1 1 1 37 9  17 o 9.5039  0.2274 10.387  -35.1000  0.33   0.46   -0.11  0.05   
1 1 1 37 9  18 o 5.1755  0.3728 5.0598  -104.8000 0.05   0.15   -0.01  -0.00  
1 1 1 37 9  19 o 5.8624  0.3545 5.0361  121.000   -0.14  0.01   0.00   -0.00  
1 1 1 37 9  20 o 4.6388  0.4640 4.0612  -173.7000 -0.52  0.26   0.00   -0.07  
1 1 1 37 9  21 o 6.6857  0.3738 ?       ?         0.00   0.55   -0.02  -0.03  
1 1 1 37 9  22 f 5.3588  0.5606 ?       ?         -0.26  -0.19  -0.00  0.00   
1 1 1 37 9  23 o 6.1024  0.8658 ?       ?         -0.26  0.61   -0.01  -0.00  
1 1 1 37 9  24 o 1.7251  1.6479 ?       ?         0.42   -0.71  -0.00  -0.01  
1 1 1 37 10 0  o 15.356  0.1707 17.060  -179.9000 0.13   0.00   0.00   0.00   
1 1 1 37 10 1  o 12.773  0.3288 12.164  111.500   3.80   4.48   0.58   -1.85  
1 1 1 37 10 2  o 22.614  0.2069 22.301  -34.6000  0.70   -0.34  -0.02  0.08   
1 1 1 37 10 3  o 20.678  0.2261 19.412  -94.6000  1.58   -3.69  1.53   0.76   
1 1 1 37 10 4  o 11.158  0.2588 12.069  -178.8000 -4.66  0.40   -1.84  0.01   
1 1 1 37 10 5  o 13.416  0.2163 13.031  -0.7000   2.05   -1.35  -0.11  0.64   
1 1 1 37 10 6  o 15.822  0.1305 16.329  167.700   -0.04  0.27   0.04   -0.01  
1 1 1 37 10 7  o 10.502  0.2543 11.040  142.500   -1.48  -0.70  -0.13  -0.29  
1 1 1 37 10 8  f 6.7573  0.2066 12.391  -177.1000 0.20   0.30   -0.01  -0.09  
1 1 1 37 10 9  o 10.944  0.3555 10.640  149.200   5.14   4.74   -0.68  -2.21  
1 1 1 37 10 10 o 11.349  0.1638 13.794  83.300    -0.52  -0.29  0.77   0.18   
1 1 1 37 10 11 o 10.971  0.3079 12.193  -61.1000  4.33   1.40   -0.84  -1.56  
1 1 1 37 10 12 o 13.386  0.3617 14.242  -127.6000 2.06   -3.35  0.05   0.81   
1 1 1 37 10 13 o 7.5039  0.2330 6.9376  -102.2000 1.20   -0.71  -0.91  0.15   
1 1 1 37 10 14 f 8.1678  0.2234 9.2900  152.900   -0.17  0.28   0.09   -0.06  
1 1 1 37 10 15 o 19.125  0.1886 19.589  98.700    0.52   1.78   -0.17  -0.37  
1 1 1 37 10 16 o 12.158  0.2023 11.890  -112.3000 0.96   -0.79  0.33   -0.56  
1 1 1 37 10 17 o 6.8602  0.2919 7.3211  163.500   -0.13  0.27   0.01   -0.00  
1 1 1 37 10 18 o 7.3554  0.2954 8.2666  8.7000    0.03   0.76   -0.12  0.14   
1 1 1 37 10 19 f 11.475  0.2927 10.107  171.400   -2.59  0.22   -0.14  -0.51  
1 1 1 37 10 20 f 3.2545  0.6433 3.5005  -34.6000  -0.05  0.08   -0.00  0.00   
1 1 1 37 10 21 o 2.9480  0.7310 ?       ?         0.08   0.41   -0.03  -0.00  
1 1 1 37 10 22 o 5.7246  0.5281 ?       ?         0.65   0.15   0.02   -0.00  
1 1 1 37 10 23 o 3.0125  1.3997 ?       ?         -0.10  0.16   0.00   -0.00  
1 1 1 37 10 24 o 2.4499  1.7270 ?       ?         0.54   0.13   0.00   0.00   
1 1 1 37 11 0  o 7.1274  0.2309 2.4749  -179.7000 -0.09  0.00   0.00   0.00   
1 1 1 37 11 1  o 15.563  0.1360 13.369  -45.1000  -0.85  -1.45  0.10   -0.86  
1 1 1 37 11 2  o 10.146  0.2150 5.1089  153.200   0.36   -4.36  2.46   -0.07  
1 1 1 37 11 3  o 19.639  0.1249 19.810  29.100    1.04   1.45   0.92   -0.68  
1 1 1 37 11 4  o 21.343  0.2655 20.844  -161.9000 -6.30  0.39   -2.75  1.24   
1 1 1 37 11 5  o 27.682  0.4106 25.673  90.500    -8.39  3.77   -2.26  1.43   
1 1 1 37 11 6  f 16.812  0.1498 17.215  -139.9000 -0.97  -0.46  -1.84  2.52   
1 1 1 37 11 7  o 16.248  0.1336 18.238  73.100    -0.31  1.19   -0.19  1.45   
1 1 1 37 11 8  o 14.881  0.1386 13.573  26.700    1.18   1.03   0.51   -0.78  
1 1 1 37 11 9  o 6.8696  0.2178 8.8558  39.500    0.25   -1.03  0.85   -0.20  
1 1 1 37 11 10 o 10.535  0.1908 10.179  -125.4000 -1.80  -1.95  0.81   -1.13  
1 1 1 37 11 11 o 12.136  0.1648 9.9707  -176.1000 -0.59  -0.51  0.55   0.08   
1 1 1 37 11 12 o 3.0260  0.4940 2.8996  48.500    -0.68  0.09   -0.08  -0.01  
1 1 1 37 11 13 o 3.1802  0.4785 3.0933  -126.5000 0.23   0.01   -0.01  0.00   
1 1 1 37 11 14 o 4.1678  0.3926 6.1023  25.500    0.07   0.37   0.08   0.09   
1 1 1 37 11 15 o 7.4414  0.2639 6.7452  -55.4000  -0.28  -0.38  0.04   -0.01  
1 1 1 37 11 16 o 8.4526  0.2444 8.2407  138.800   -0.19  -0.04  -0.00  0.02   
1 1 1 37 11 17 o 11.790  0.3932 11.500  166.000   -2.31  -1.57  0.24   -0.39  
1 1 1 37 11 18 o 7.5397  0.2883 6.7241  -142.1000 -0.21  0.08   0.01   0.01   
1 1 1 37 11 19 o 3.0822  0.8624 2.1100  57.200    -0.05  0.13   0.00   -0.00  
1 1 1 37 11 20 o 5.8625  0.4484 ?       ?         0.01   0.68   -0.05  -0.02  
1 1 1 37 11 21 o 7.1149  0.4240 ?       ?         -0.25  -0.82  -0.02  0.04   
1 1 1 37 11 22 o 11.146  0.3785 ?       ?         2.43   0.85   0.14   0.05   
1 1 1 37 11 23 o 3.9766  1.0086 ?       ?         0.76   -0.48  0.00   -0.02  
1 1 1 37 11 24 o 4.6346  1.0805 ?       ?         0.14   -0.55  -0.00  0.00   
1 1 1 37 12 0  o 5.1284  0.2683 4.3794  -179.9000 0.05   0.00   0.00   0.00   
1 1 1 37 12 1  o 19.301  0.1245 21.534  111.700   1.18   1.01   -2.51  -0.86  
1 1 1 37 12 2  o 15.243  0.1746 15.108  129.500   -1.83  -0.59  -0.60  -0.18  
1 1 1 37 12 3  f 10.301  0.2660 7.4689  164.700   -2.27  1.81   -0.04  0.74   
1 1 1 37 12 4  o 21.594  0.1348 21.921  -118.6000 -0.41  -0.49  0.09   -0.08  
1 1 1 37 12 5  o 26.608  0.1541 29.941  9.9000    1.63   1.39   -1.01  -0.67  
1 1 1 37 12 6  o 19.550  0.3058 18.204  -25.7000  7.83   0.28   -3.66  -1.68  
1 1 1 37 12 7  o 9.5448  0.1703 8.9341  -72.7000  0.46   0.38   0.20   -0.31  
1 1 1 37 12 8  o 11.836  0.1486 7.6272  -136.7000 0.75   -0.67  -1.16  0.46   
1 1 1 37 12 9  o 30.820  0.2906 32.777  -134.0000 -4.88  0.03   -1.10  1.07   
1 1 1 37 12 10 o 10.210  0.1714 9.6007  -126.7000 -0.43  0.32   -0.38  -0.06  
1 1 1 37 12 11 o 24.181  0.5629 26.931  -152.0000 -3.18  -7.71  1.55   -0.44  
1 1 1 37 12 12 o 9.8057  0.2089 10.353  82.600    -0.69  0.47   -0.52  -0.42  
1 1 1 37 12 13 o 9.2677  0.4942 7.5655  -30.5000  0.74   4.41   0.70   -0.04  
1 1 1 37 12 14 o 8.8608  0.2562 9.0062  130.000   -2.01  0.68   -0.69  -0.12  
1 1 1 37 12 15 o 14.270  0.1697 14.606  -25.6000  0.63   -0.09  0.10   -0.13  
1 1 1 37 12 16 o 4.8149  0.4620 5.0540  -106.8000 -0.08  -0.84  0.05   -0.06  
1 1 1 37 12 17 f 10.122  0.2344 11.957  99.800    -1.16  0.54   0.45   -0.24  
1 1 1 37 12 18 o 3.4133  0.5347 5.0135  154.900   -0.05  0.29   -0.00  0.02   
1 1 1 37 12 19 o 2.7214  0.7905 3.8484  -84.9000  -0.13  -0.12  -0.01  -0.00  
1 1 1 37 12 20 o 3.2800  0.6658 ?       ?         0.07   -0.18  -0.00  -0.01  
1 1 1 37 12 21 o 3.6174  0.8292 ?       ?         0.10   0.17   -0.00  -0.00  
1 1 1 37 12 22 o 5.4311  0.6085 ?       ?         0.08   0.08   0.00   0.00   
1 1 1 37 12 23 o 2.0537  1.3433 ?       ?         0.18   0.47   -0.01  0.00   
1 1 1 37 13 0  o 2.4900  0.4663 3.8609  179.900   0.02   0.00   0.00   0.00   
1 1 1 37 13 1  f 5.7069  0.1787 4.0061  176.000   0.02   -0.08  0.01   0.02   
1 1 1 37 13 2  o 18.209  0.2089 20.034  -48.0000  1.07   -2.18  0.57   0.39   
1 1 1 37 13 3  o 21.252  0.3405 23.159  110.100   0.21   4.21   0.78   -0.27  
1 1 1 37 13 4  o 25.254  0.1577 28.633  122.300   -0.45  -1.19  0.03   -0.41  
1 1 1 37 13 5  o 8.8207  0.1735 9.8516  123.400   -2.84  -1.37  -0.77  -1.56  
1 1 1 37 13 6  f 13.114  0.1463 15.675  37.000    0.34   0.56   0.19   -0.08  
1 1 1 37 13 7  o 14.335  0.3365 16.108  10.800    4.24   3.65   0.17   -1.64  
1 1 1 37 13 8  o 12.224  0.1720 13.951  -24.0000  -0.18  -0.08  -0.03  0.08   
1 1 1 37 13 9  o 4.7315  0.6194 6.7277  91.100    -0.99  1.10   -0.00  0.09   
1 1 1 37 13 10 o 3.3290  0.5345 3.2421  162.500   -0.39  0.44   0.01   0.03   
1 1 1 37 13 11 o 4.5009  0.3636 3.9737  132.100   0.20   -0.54  0.02   0.04   
1 1 1 37 13 12 o 13.148  0.1668 10.175  -81.5000  0.07   -0.39  -0.13  0.05   
1 1 1 37 13 13 o 4.9276  0.3335 4.8150  -139.9000 -0.20  -0.04  0.03   0.09   
1 1 1 37 13 14 f 6.7877  0.2652 6.4023  116.300   -0.29  0.93   0.32   -0.20  
1 1 1 37 13 15 o 4.4648  0.4015 2.9240  84.800    -0.01  0.34   -0.01  -0.08  
1 1 1 37 13 16 o 6.3918  0.3104 8.7055  -19.0000  -0.25  0.68   -0.21  -0.31  
1 1 1 37 13 17 o 6.9954  0.3072 7.4039  -37.6000  0.42   -0.52  -0.08  0.03   
1 1 1 37 13 18 o 10.987  0.2175 11.768  -52.8000  1.28   -0.10  0.31   -0.13  
1 1 1 37 13 19 o 11.791  0.4055 11.918  -107.3000 0.96   -0.85  0.07   0.03   
1 1 1 37 13 20 o 7.7394  0.3729 ?       ?         0.92   -0.35  0.08   -0.04  
1 1 1 37 13 21 o 2.9003  1.3613 ?       ?         -0.03  -0.28  0.00   0.01   
1 1 1 37 13 22 o 3.9913  0.7129 ?       ?         0.41   0.28   0.01   0.01   
1 1 1 37 13 23 o 2.7018  1.3102 ?       ?         -0.35  -0.51  -0.02  0.01   
1 1 1 37 14 0  o 9.4446  0.1664 11.193  -179.9000 -0.12  0.00   0.00   0.00   
1 1 1 37 14 1  o 11.669  0.3560 11.245  96.600    3.41   8.32   2.10   -2.67  
1 1 1 37 14 2  o 20.280  0.1535 24.072  116.400   2.37   1.27   -1.36  -0.65  
1 1 1 37 14 3  o 20.171  0.1556 17.478  -123.9000 -3.65  1.23   -1.18  2.53   
1 1 1 37 14 4  o 5.4412  0.2169 8.4469  -38.9000  -0.44  -1.12  0.33   -0.55  
1 1 1 37 14 5  o 2.9253  0.3496 4.5933  67.800    -0.07  0.46   0.09   0.00   
1 1 1 37 14 6  o 10.148  0.2124 11.851  -57.9000  1.20   -1.88  0.11   0.70   
1 1 1 37 14 7  o 5.4425  0.3346 4.9870  -152.6000 -1.92  -2.63  0.45   -0.86  
1 1 1 37 14 8  o 8.9019  0.2232 8.0491  -29.1000  0.83   -0.01  -0.26  -0.25  
1 1 1 37 14 9  o 9.2682  0.1934 8.5086  -24.3000  0.90   -0.41  2.60   -1.26  
1 1 1 37 14 10 f 15.625  0.2553 17.105  11.000    2.39   -0.73  -0.17  0.63   
1 1 1 37 14 11 o 10.286  0.1800 5.6006  18.500    -0.06  -0.33  -0.01  -0.08  
1 1 1 37 14 12 o 11.385  0.1737 10.835  -30.9000  -0.26  0.44   -0.23  -0.26  
1 1 1 37 14 13 o 4.4752  0.3681 3.5490  26.900    -0.17  0.29   -0.17  0.03   
1 1 1 37 14 14 o 6.6658  0.3128 7.1246  125.500   0.22   0.05   -0.00  -0.01  
1 1 1 37 14 15 f 16.162  0.1626 14.837  -156.5000 -0.41  -0.06  0.05   0.01   
1 1 1 37 14 16 o 9.5487  0.2250 8.9496  106.200   -0.73  0.92   -0.36  -0.05  
1 1 1 37 14 17 o 8.4750  0.2708 9.6079  20.000    -0.95  0.41   0.06   0.12   
1 1 1 37 14 18 o 11.152  0.5007 10.937  115.400   -2.73  0.01   -0.17  -0.23  
1 1 1 37 14 19 o 4.4323  0.5238 5.6138  26.700    0.13   0.18   0.01   0.00   
1 1 1 37 14 20 f 4.3344  1.3490 ?       ?         0.39   0.72   0.03   -0.01  
1 1 1 37 14 21 o 6.6642  0.5451 ?       ?         -0.28  -1.14  0.00   0.05   
1 1 1 37 14 22 o 3.6264  0.8413 ?       ?         -0.28  -0.19  0.01   0.01   
1 1 1 37 14 23 o 1.4267  1.2052 ?       ?         0.22   0.09   0.00   0.00   
1 1 1 37 15 0  o 5.7793  0.2407 8.1348  179.800   0.20   0.00   0.00   0.00   
1 1 1 37 15 1  o 1.9234  0.5241 2.9862  -155.1000 -0.32  0.07   -0.02  0.01   
1 1 1 37 15 2  o 10.488  0.1703 10.716  116.800   -1.89  1.53   -0.45  0.91   
1 1 1 37 15 3  o 17.216  0.2336 14.005  -141.8000 -1.27  -4.78  2.11   -0.49  
1 1 1 37 15 4  o 7.4675  0.1742 8.2226  164.400   -0.00  -0.06  0.00   0.00   
1 1 1 37 15 5  o 5.7692  0.2073 7.6625  -158.9000 -0.10  0.38   0.54   -0.71  
1 1 1 37 15 6  o 8.3290  0.3039 11.059  151.300   -4.17  -0.86  -1.13  -0.77  
1 1 1 37 15 7  o 22.522  0.2550 23.154  -23.7000  2.25   -0.46  -0.47  -0.07  
1 1 1 37 15 8  o 17.644  0.2322 18.559  128.100   0.52   4.67   1.49   -1.20  
1 1 1 37 15 9  o 21.494  0.1599 23.005  45.000    1.77   -0.56  0.04   0.63   
1 1 1 37 15 10 f 17.670  0.3308 17.742  104.200   2.76   1.48   0.06   -0.65  
1 1 1 37 15 11 o 19.258  0.1464 20.337  175.900   0.58   0.07   0.08   0.16   
1 1 1 37 15 12 o 8.8129  0.2122 9.1963  -177.7000 -0.39  0.10   0.01   -0.23  
1 1 1 37 15 13 o 8.1297  0.2289 9.0262  20.300    0.71   0.16   -0.02  -0.19  
1 1 1 37 15 14 o 8.2249  0.3460 9.8678  -23.6000  2.00   0.03   -0.26  -0.19  
1 1 1 37 15 15 o 3.7921  0.4495 3.8778  -129.9000 0.01   0.11   -0.00  0.01   
1 1 1 37 15 16 o 7.4266  0.2885 7.3855  -108.3000 -0.26  -0.44  -0.09  0.01   
1 1 1 37 15 17 o 11.252  0.5050 11.912  71.900    0.22   0.64   0.00   -0.02  
1 1 1 37 15 18 o 6.9393  0.6147 8.1482  -118.8000 -0.65  -0.60  0.02   -0.02  
1 1 1 37 15 19 o 2.6212  0.7533 2.2027  -40.3000  -0.06  -0.23  0.00   0.01   
1 1 1 37 15 20 o 3.0127  0.7317 ?       ?         0.21   0.11   0.00   0.01   
1 1 1 37 15 21 o 5.5294  0.6482 ?       ?         -0.35  0.77   -0.02  0.01   
1 1 1 37 15 22 o 9.3917  0.5152 ?       ?         -0.32  -1.78  -0.01  0.06   
1 1 1 37 15 23 o 7.6662  0.5405 ?       ?         -0.50  0.50   -0.00  -0.01  
1 1 1 37 16 0  o 9.5289  0.2104 8.8348  -0.0000   0.06   0.00   0.00   0.00   
1 1 1 37 16 1  o 14.284  0.1445 14.052  42.100    -0.51  2.74   1.17   1.02   
1 1 1 37 16 2  o 13.209  0.3997 13.402  -173.9000 -10.65 1.34   -3.13  0.42   
1 1 1 37 16 3  o 17.351  0.1232 14.474  -7.3000   0.12   -1.13  0.43   -1.44  
1 1 1 37 16 4  o 12.710  0.1467 14.053  163.300   0.31   -1.25  0.25   0.35   
1 1 1 37 16 5  o 13.649  0.3657 12.007  25.900    2.86   2.18   -0.03  -0.59  
1 1 1 37 16 6  o 19.516  0.1925 18.459  136.300   -2.53  -1.13  -0.12  -1.16  
1 1 1 37 16 7  o 10.964  0.1538 11.335  -72.9000  -0.14  0.30   -0.02  0.08   
1 1 1 37 16 8  o 11.646  0.1747 13.131  118.900   0.29   1.13   0.26   0.02   
1 1 1 37 16 9  o 10.744  0.1632 11.268  37.100    0.39   0.67   -0.13  -0.22  
1 1 1 37 16 10 o 7.7557  0.2007 7.5514  -22.1000  0.09   0.23   0.06   0.06   
1 1 1 37 16 11 o 14.805  0.1505 15.817  47.200    0.60   0.93   -0.76  0.63   
1 1 1 37 16 12 o 5.4243  0.2950 3.6266  -38.0000  0.74   1.31   0.30   -0.19  
1 1 1 37 16 13 o 9.5105  0.3093 10.391  152.300   -2.64  -0.09  -0.51  -0.34  
1 1 1 37 16 14 o 6.8478  0.4716 7.6476  -93.6000  1.64   0.53   -0.08  -0.15  
1 1 1 37 16 15 o 6.3014  0.5877 6.5339  36.700    0.49   0.07   -0.01  -0.01  
1 1 1 37 16 16 o 1.3105  0.8186 1.0739  88.700    -0.21  -0.01  -0.01  -0.02  
1 1 1 37 16 17 o 5.2411  0.3853 5.4678  143.100   -0.10  -0.15  -0.00  -0.00  
1 1 1 37 16 18 f 3.7086  0.5616 3.1466  -179.4000 -0.08  -0.25  -0.02  -0.00  
1 1 1 37 16 19 o 2.6689  0.7378 1.7582  -80.5000  0.10   -0.15  -0.01  -0.01  
1 1 1 37 16 20 o 6.3795  0.4486 ?       ?         -0.34  -0.20  -0.00  0.01   
1 1 1 37 16 21 o 3.1260  1.4517 ?       ?         -0.02  -0.56  -0.01  0.02   
1 1 1 37 16 22 o 6.1550  0.7550 ?       ?         0.41   1.52   -0.03  -0.04  
1 1 1 37 16 23 o 2.2958  1.1590 ?       ?         -0.18  -0.10  0.00   0.00   
1 1 1 37 17 0  o 23.488  0.1775 24.928  -0.1000   0.11   0.00   0.00   0.00   
1 1 1 37 17 1  f 10.475  0.1231 9.4740  -26.9000  1.35   0.15   -0.86  0.15   
1 1 1 37 17 2  o 12.456  0.4217 7.5678  142.000   -2.28  6.81   1.37   0.74   
1 1 1 37 17 3  o 16.107  0.2956 17.190  43.400    1.20   -0.99  0.01   0.15   
1 1 1 37 17 4  o 8.2109  0.2133 7.9519  47.700    3.41   0.84   -1.92  -0.42  
1 1 1 37 17 5  o 13.692  0.1427 11.982  -96.6000  1.00   -0.52  -0.80  0.02   
1 1 1 37 17 6  o 7.1698  0.2304 7.2267  -97.3000  -0.07  -0.93  0.12   -0.05  
1 1 1 37 17 7  o 4.9101  0.2474 6.6755  -180.0000 -0.34  -0.50  0.28   -0.17  
1 1 1 37 17 8  o 20.168  0.2181 21.385  -122.7000 -1.97  -1.56  -0.56  -0.39  
1 1 1 37 17 9  o 2.6624  0.4390 5.6428  -100.8000 0.43   -0.24  -0.06  0.04   
1 1 1 37 17 10 o 7.6245  0.2261 5.2913  -171.8000 0.73   -1.97  1.37   -0.06  
1 1 1 37 17 11 o 5.5753  0.2971 5.2590  90.300    -0.16  -0.16  0.02   -0.01  
1 1 1 37 17 12 o 7.6175  0.3650 8.1061  -89.6000  0.49   0.15   -0.01  -0.01  
1 1 1 37 17 13 o 14.531  0.1659 12.208  12.600    0.11   0.29   -0.01  -0.01  
1 1 1 37 17 14 o 8.3174  0.2457 9.3572  -75.2000  1.24   -0.18  -0.20  -0.14  
1 1 1 37 17 15 o 6.9994  0.4038 5.8959  -146.0000 -1.15  -1.29  -0.11  -0.18  
1 1 1 37 17 16 o 2.8593  0.5976 5.2067  160.300   0.29   -0.23  0.04   0.02   
1 1 1 37 17 17 o 3.0201  1.0026 2.8595  102.700   -0.01  -0.09  0.00   -0.00  
1 1 1 37 17 18 o 3.3613  0.5712 3.2534  25.900    -0.21  -0.30  0.03   0.02   
1 1 1 37 17 19 o 3.9694  0.5402 ?       ?         0.05   0.36   -0.01  -0.02  
1 1 1 37 17 20 o 4.8517  0.5167 ?       ?         -0.31  0.43   0.01   -0.01  
1 1 1 37 17 21 o 4.9467  0.6690 ?       ?         -0.17  0.65   -0.01  -0.01  
1 1 1 37 17 22 o 8.0446  0.4730 ?       ?         -1.13  -1.15  -0.01  0.06   
1 1 1 37 17 23 o 3.2684  1.0757 ?       ?         -0.20  0.67   -0.00  -0.01  
1 1 1 37 18 0  o 8.4321  0.2195 1.9521  0.5000    -0.19  0.00   0.00   0.00   
1 1 1 37 18 1  o 6.0065  0.1562 7.3019  14.300    0.28   0.09   0.40   -0.58  
1 1 1 37 18 2  o 8.9008  0.4346 6.7967  36.100    7.29   6.42   -0.64  -2.65  
1 1 1 37 18 3  o 17.322  0.3938 18.052  49.800    2.58   0.08   -0.23  0.04   
1 1 1 37 18 4  o 13.560  0.2828 13.747  144.800   -1.52  3.08   0.29   0.71   
1 1 1 37 18 5  o 15.093  0.2627 13.746  -100.0000 -1.82  -3.31  0.26   -1.06  
1 1 1 37 18 6  o 6.1028  0.4949 5.5107  126.300   -3.07  6.36   0.87   1.47   
1 1 1 37 18 7  o 5.9202  0.2985 4.7520  -176.0000 0.17   1.58   0.28   0.02   
1 1 1 37 18 8  o 10.029  0.1791 8.4671  -146.5000 0.44   -0.42  0.07   0.09   
1 1 1 37 18 9  o 15.161  0.3420 15.193  64.700    5.71   3.76   -2.08  -1.59  
1 1 1 37 18 10 o 10.557  0.2298 12.398  -128.7000 -1.70  0.86   -0.03  0.47   
1 1 1 37 18 11 o 10.179  0.1901 12.091  96.000    0.12   0.07   0.00   -0.00  
1 1 1 37 18 12 o 8.5598  0.2103 7.8540  90.200    0.05   0.40   0.04   0.05   
1 1 1 37 18 13 o 9.8817  0.2764 7.8023  -175.5000 0.04   -1.98  0.31   0.37   
1 1 1 37 18 14 o 8.4547  0.2438 6.7951  133.700   -0.51  -0.24  -0.07  0.10   
1 1 1 37 18 15 o 4.2821  0.4082 4.5296  -96.1000  -0.70  -0.33  -0.08  -0.00  
1 1 1 37 18 16 o 0.0000  1.6267 ?       ?         0.07   -0.05  -0.01  -0.01  
1 1 1 37 18 17 o 8.5449  0.6519 7.7959  166.200   1.72   -0.98  -0.11  0.04   
1 1 1 37 18 18 o 8.8948  0.3040 9.1200  86.700    0.82   -0.44  0.02   -0.12  
1 1 1 37 18 19 o 8.1749  0.3378 ?       ?         -1.41  -0.25  0.09   -0.09  
1 1 1 37 18 20 o 6.5288  0.4753 ?       ?         -0.29  0.40   0.00   -0.01  
1 1 1 37 18 21 o 4.5555  0.6847 ?       ?         0.54   1.04   0.01   0.05   
1 1 1 37 18 22 o 5.9307  1.3138 ?       ?         0.03   -0.00  -0.00  0.00   
1 1 1 37 18 23 o 5.8897  0.6426 ?       ?         -1.27  -0.73  0.02   -0.00  
1 1 1 37 19 0  o 15.037  0.2357 11.904  -0.0000   -0.73  0.00   0.00   0.00   
1 1 1 37 19 1  o 24.139  0.3465 25.220  146.400   0.71   -0.32  -0.01  0.04   
1 1 1 37 19 2  o 14.586  0.4891 15.310  64.800    4.75   3.48   -0.10  -0.78  
1 1 1 37 19 3  o 11.010  0.1359 9.7110  -170.3000 0.25   -0.20  0.02   0.05   
1 1 1 37 19 4  o 11.319  0.1259 8.6259  43.400    1.13   -0.24  -1.22  -0.73  
1 1 1 37 19 5  o 12.014  0.1726 12.969  -102.8000 -0.20  -0.87  0.13   0.00   
1 1 1 37 19 6  o 6.5182  0.2337 4.8324  -168.6000 -2.16  1.29   -0.18  0.76   
1 1 1 37 19 7  o 10.840  0.3535 12.010  -22.9000  3.92   -0.72  -0.59  0.42   
1 1 1 37 19 8  o 15.763  0.2362 16.315  -8.6000   3.14   -1.14  -0.15  1.18   
1 1 1 37 19 9  o 6.4387  0.2234 4.4094  166.100   -0.41  -0.65  -0.87  -0.36  
1 1 1 37 19 10 o 21.278  0.1507 18.759  -47.3000  0.83   1.16   -0.46  -0.06  
1 1 1 37 19 11 o 12.782  0.2155 13.286  155.300   -0.67  0.72   0.09   0.09   
1 1 1 37 19 12 o 11.192  0.2345 11.503  175.600   -0.49  0.40   -0.04  0.03   
1 1 1 37 19 13 o 3.1235  0.4500 3.1684  -0.5000   0.28   0.17   -0.02  -0.01  
1 1 1 37 19 14 o 13.794  0.1765 13.261  24.900    0.83   0.64   0.02   0.35   
1 1 1 37 19 15 o 7.5339  0.5052 6.1708  -43.7000  2.04   -2.21  -0.24  0.37   
1 1 1 37 19 16 o 7.3138  0.2847 7.9848  -52.8000  0.66   -0.39  -0.07  -0.02  
1 1 1 37 19 17 o 6.3520  0.3563 6.7770  120.600   -0.33  0.42   -0.01  -0.08  
1 1 1 37 19 18 o 4.9405  0.5771 4.7864  -29.5000  -0.00  0.45   0.00   -0.01  
1 1 1 37 19 19 o 5.1051  0.5058 ?       ?         0.15   0.47   -0.02  0.01   
1 1 1 37 19 20 o 12.414  0.7636 ?       ?         -4.13  0.51   0.00   -0.25  
1 1 1 37 19 21 f 5.2108  0.8424 ?       ?         -0.20  0.45   0.00   -0.01  
1 1 1 37 19 22 o 4.0922  0.8004 ?       ?         0.36   0.38   0.00   0.01   
1 1 1 37 20 0  o 16.502  0.2094 14.011  -0.1000   0.06   0.00   0.00   0.00   
1 1 1 37 20 1  f 27.633  0.1701 26.593  70.800    0.60   0.86   -0.51  0.37   
1 1 1 37 20 2  o 13.623  0.1947 14.896  -88.1000  3.15   -0.91  -1.59  0.18   
1 1 1 37 20 3  o 4.0565  0.2342 3.1776  176.700   -0.29  -0.25  0.00   -0.03  
1 1 1 37 20 4  o 13.072  0.1099 14.610  17.600    0.09   1.70   0.96   0.73   
1 1 1 37 20 5  o 19.917  0.1298 21.276  136.900   0.24   1.50   -1.62  -1.31  
1 1 1 37 20 6  o 14.364  0.2311 14.374  30.800    3.55   3.34   0.89   -2.02  
1 1 1 37 20 7  o 6.7075  0.1910 6.5398  102.500   -0.07  -0.67  0.20   -0.40  
1 1 1 37 20 8  o 4.3492  0.4437 5.4632  -78.7000  -1.88  -0.72  -0.17  -0.27  
1 1 1 37 20 9  o 11.274  0.3131 12.685  -140.8000 -5.47  0.32   -1.66  0.98   
1 1 1 37 20 10 o 3.5763  0.3659 1.2623  144.400   0.17   1.36   0.30   -0.28  
1 1 1 37 20 11 o 7.5666  0.2161 10.579  86.100    -0.34  0.12   -0.04  -0.20  
1 1 1 37 20 12 o 5.0977  0.3034 6.1286  100.800   0.03   0.15   -0.01  -0.02  
1 1 1 37 20 13 f 3.2507  0.4545 0.9417  110.700   -0.01  -0.07  -0.00  -0.00  
1 1 1 37 20 14 o 3.5711  0.4470 4.6901  -115.0000 0.16   0.71   0.02   -0.08  
1 1 1 37 20 15 o 10.796  0.3577 10.716  14.300    0.70   1.39   0.15   0.01   
1 1 1 37 20 16 o 6.3954  0.3300 7.1299  -64.6000  0.76   -0.51  -0.10  -0.21  
1 1 1 37 20 17 o 7.5189  0.2894 8.0238  -119.6000 0.08   0.12   0.00   0.00   
1 1 1 37 20 18 o 13.002  0.2443 13.972  -6.0000   1.81   0.53   0.16   -0.12  
1 1 1 37 20 19 o 2.4137  0.9715 ?       ?         -0.19  0.17   -0.01  -0.00  
1 1 1 37 20 20 o 2.0502  1.1019 ?       ?         0.02   0.28   -0.01  -0.01  
1 1 1 37 20 21 o 6.7674  0.5405 ?       ?         0.43   0.05   0.01   -0.00  
1 1 1 37 20 22 o 1.7935  1.1597 ?       ?         -0.01  0.32   -0.01  0.00   
1 1 1 37 21 0  o 11.563  0.2164 10.989  -180.0000 -0.00  0.00   0.00   0.00   
1 1 1 37 21 1  o 23.319  0.1616 23.538  117.800   0.18   0.16   0.03   0.00   
1 1 1 37 21 2  o 8.1547  0.4685 4.1180  -11.5000  1.90   4.08   0.50   -0.45  
1 1 1 37 21 3  o 8.9019  0.1719 8.1677  67.900    -0.10  0.30   -0.04  0.12   
1 1 1 37 21 4  o 5.5790  0.2011 6.7251  70.000    1.28   -0.78  -0.31  0.31   
1 1 1 37 21 5  o 5.6393  0.1931 5.7862  179.400   0.45   -0.87  0.14   0.11   
1 1 1 37 21 6  o 3.5775  0.3100 4.2877  -144.7000 0.39   0.02   -0.09  -0.13  
1 1 1 37 21 7  o 4.7568  0.3276 3.8450  -61.4000  -0.65  -1.80  0.22   -0.37  
1 1 1 37 21 8  f 4.5193  0.3014 3.4876  18.400    -0.12  1.34   0.24   0.16   
1 1 1 37 21 9  f 2.6652  0.4499 2.7991  -165.6000 -0.01  0.05   0.00   0.00   
1 1 1 37 21 10 o 3.8639  0.3533 3.4689  -115.2000 -0.67  -0.37  0.07   -0.28  
1 1 1 37 21 11 o 9.8569  0.2032 7.8636  131.200   -0.17  0.03   -0.00  -0.00  
1 1 1 37 21 12 o 5.1393  0.3078 3.8904  -78.4000  -0.25  -0.19  0.02   -0.03  
1 1 1 37 21 13 o 12.049  0.4406 11.155  69.400    -2.00  0.25   -0.14  -0.06  
1 1 1 37 21 14 o 3.7363  0.4708 4.1848  -145.8000 -0.35  -0.99  0.13   0.01   
1 1 1 37 21 15 o 4.8605  0.3603 4.8257  145.200   -1.09  -0.58  0.13   -0.20  
1 1 1 37 21 16 o 8.4189  0.3770 8.4391  77.200    -1.91  1.28   -0.35  0.06   
1 1 1 37 21 17 o 4.1172  0.7107 4.0293  -150.3000 -0.01  -0.19  0.00   -0.00  
1 1 1 37 21 18 o 8.0348  0.3428 8.3774  55.700    1.50   0.82   0.30   0.09   
1 1 1 37 21 19 o 3.1903  0.7382 ?       ?         0.26   0.07   0.01   0.00   
1 1 1 37 21 20 o 7.4447  0.9067 ?       ?         -0.57  0.98   -0.02  0.01   
1 1 1 37 21 21 o 2.8560  1.1889 ?       ?         -0.03  -0.58  -0.02  -0.01  
1 1 1 37 21 22 o 7.2204  0.5487 ?       ?         2.11   0.11   0.05   -0.00  
1 1 1 37 22 0  o 27.644  0.2420 24.905  0.0000    0.14   0.00   0.00   0.00   
1 1 1 37 22 1  o 10.832  0.2803 12.586  -153.3000 -0.20  -4.02  1.06   0.21   
1 1 1 37 22 2  o 9.4482  0.8356 7.6752  15.700    8.39   9.73   0.30   -1.24  
1 1 1 37 22 3  o 4.6364  0.3070 7.3373  -105.3000 0.33   -0.08  -0.01  0.01   
1 1 1 37 22 4  o 10.692  0.1436 11.951  -22.5000  0.37   -1.57  0.70   -0.17  
1 1 1 37 22 5  o 10.377  0.4572 12.472  84.200    -1.57  5.76   0.90   0.31   
1 1 1 37 22 6  o 7.9888  0.7081 6.1132  -58.7000  5.99   -5.66  -0.22  1.00   
1 1 1 37 22 7  o 16.995  0.1319 18.822  89.700    -0.54  0.79   0.24   -0.03  
1 1 1 37 22 8  o 21.117  0.1428 18.902  -120.5000 -0.97  -0.43  -0.17  0.09   
1 1 1 37 22 9  o 10.531  0.2120 9.3301  77.900    1.06   2.58   1.05   -0.14  
1 1 1 37 22 10 o 15.046  0.2977 13.428  9.8000    1.05   1.08   0.08   -0.11  
1 1 1 37 22 11 o 4.7537  0.3152 3.0033  94.300    -0.38  0.02   0.00   0.15   
1 1 1 37 22 12 o 10.846  0.2825 11.034  -110.1000 0.79   -1.01  -0.07  0.11   
1 1 1 37 22 13 o 9.8028  0.2091 8.7131  40.100    0.67   -0.34  0.20   -0.16  
1 1 1 37 22 14 o 5.1578  0.3379 4.9094  103.900   0.21   0.63   -0.23  0.02   
1 1 1 37 22 15 o 6.8873  0.2900 6.7137  72.100    0.30   0.52   -0.04  0.13   
1 1 1 37 22 16 o 4.7452  0.4342 4.4653  -112.5000 -0.26  -0.11  -0.01  0.01   
1 1 1 37 22 17 o 7.7000  0.3229 8.0508  -146.5000 -0.48  0.51   0.01   -0.07  
1 1 1 37 22 18 o 10.215  0.3889 ?       ?         2.61   2.53   -0.51  0.12   
1 1 1 37 22 19 o 4.6932  0.6650 ?       ?         0.24   -0.36  0.00   -0.01  
1 1 1 37 22 20 o 5.1172  0.6384 ?       ?         0.71   0.13   0.01   -0.00  
1 1 1 37 22 21 o 3.3650  0.8818 ?       ?         -0.05  -0.13  -0.00  0.00   
1 1 1 37 22 22 o 6.6035  0.5675 ?       ?         0.73   -1.77  -0.03  0.00   
1 1 1 37 23 0  o 7.9183  0.2508 9.9419  -0.0000   0.44   0.00   0.00   0.00   
1 1 1 37 23 1  o 14.106  0.1639 14.455  -27.8000  1.03   -0.23  -0.18  -0.03  
1 1 1 37 23 2  o 14.773  0.5644 16.672  54.000    -2.62  9.64   1.20   1.12   
1 1 1 37 23 3  o 19.114  0.1546 18.772  -16.5000  2.10   -1.88  -1.64  0.51   
1 1 1 37 23 4  o 12.323  0.4095 13.033  -82.7000  4.37   -5.39  -0.13  1.68   
1 1 1 37 23 5  f 5.6029  0.3991 2.6147  152.800   -4.04  -0.70  -0.84  -0.57  
1 1 1 37 23 6  f 9.6012  0.2448 8.9480  -53.4000  1.18   0.56   -0.17  -0.07  
1 1 1 37 23 7  o 8.0933  0.1983 8.4844  -135.5000 -0.35  -1.15  0.11   -0.21  
1 1 1 37 23 8  o 8.0689  0.1771 6.8644  50.300    -0.68  -0.47  0.08   -0.18  
1 1 1 37 23 9  o 10.876  0.1871 11.808  90.400    0.05   1.33   0.22   0.15   
1 1 1 37 23 10 o 8.0557  0.4427 9.2447  93.200    -1.40  4.33   0.81   0.25   
1 1 1 37 23 11 o 19.149  0.1490 18.449  69.500    -0.68  1.92   -0.67  0.25   
1 1 1 37 23 12 o 3.7775  1.2312 1.9949  -136.6000 -0.79  -0.68  0.00   -0.03  
1 1 1 37 23 13 o 9.2522  0.2208 10.310  -98.3000  0.87   -0.94  -0.42  -0.03  
1 1 1 37 23 14 o 4.8807  0.3710 4.7547  -126.7000 0.54   -0.20  -0.06  -0.07  
1 1 1 37 23 15 o 8.3187  0.6361 8.2803  179.000   -2.06  -0.09  -0.09  -0.08  
1 1 1 37 23 16 f 3.9806  0.5553 4.3127  -49.4000  0.28   0.24   -0.01  -0.00  
1 1 1 37 23 17 o 7.8365  0.3386 7.2577  -47.1000  0.28   -1.15  -0.10  0.07   
1 1 1 37 23 18 o 3.6467  0.6274 ?       ?         0.06   0.62   -0.03  0.03   
1 1 1 37 23 19 o 7.7276  0.4555 ?       ?         -0.26  0.48   -0.00  -0.01  
1 1 1 37 23 20 f 11.940  0.3679 ?       ?         1.26   1.26   0.00   0.05   
1 1 1 37 23 21 o 3.1185  0.9024 ?       ?         -0.07  -0.74  -0.01  0.01   
1 1 1 37 23 22 o 6.8438  0.5828 ?       ?         0.85   -1.03  -0.01  -0.01  
1 1 1 37 24 0  o 6.9065  0.5110 7.4670  180.000   -0.03  0.00   0.00   0.00   
1 1 1 37 24 1  o 11.593  0.5101 11.872  -155.8000 -2.06  -1.05  -0.05  -0.15  
1 1 1 37 24 2  o 11.364  0.5108 8.7974  -48.9000  3.79   2.00   -0.14  -0.31  
1 1 1 37 24 3  o 6.7070  0.1869 5.9656  92.300    -0.70  -1.64  0.23   -0.78  
1 1 1 37 24 4  o 8.6786  0.4128 8.8977  126.500   -2.15  -0.73  -0.23  -0.08  
1 1 1 37 24 5  o 11.298  0.1311 11.412  -54.1000  1.00   -0.69  -0.69  -0.02  
1 1 1 37 24 6  o 8.2117  0.2549 8.2344  -175.3000 -1.80  3.21   1.07   0.76   
1 1 1 37 24 7  o 10.186  0.1500 6.3640  55.100    -0.54  0.10   -0.05  -0.24  
1 1 1 37 24 8  o 4.3978  0.3393 2.9856  -102.7000 1.74   -0.04  -0.32  -0.11  
1 1 1 37 24 9  o 6.2086  0.2314 3.3693  -12.6000  -0.31  0.65   0.41   -0.16  
1 1 1 37 24 10 o 3.0173  0.4231 0.7829  -134.1000 0.09   0.39   0.07   0.03   
1 1 1 37 24 11 o 8.4708  0.2018 9.0161  -28.1000  -0.89  0.50   0.16   0.20   
1 1 1 37 24 12 o 5.0473  0.3218 3.5977  -142.4000 -0.27  -0.06  0.00   -0.02  
1 1 1 37 24 13 o 4.2070  0.3703 3.5958  -131.4000 0.42   0.65   0.20   0.32   
1 1 1 37 24 14 o 6.0863  0.3266 7.1911  86.300    0.35   0.08   0.05   0.01   
1 1 1 37 24 15 o 4.1049  0.4414 3.7141  112.800   0.20   0.12   -0.01  0.00   
1 1 1 37 24 16 o 6.1179  0.5636 6.6122  63.100    -0.43  1.73   -0.02  0.18   
1 1 1 37 24 17 o 6.5484  0.3831 5.6780  173.300   -0.55  0.33   0.04   -0.02  
1 1 1 37 24 18 o 3.3196  0.7260 ?       ?         -0.52  0.29   0.00   -0.04  
1 1 1 37 24 19 o 7.7173  0.4542 ?       ?         0.73   -1.09  -0.03  -0.05  
1 1 1 37 24 20 o 6.1702  0.5470 ?       ?         -0.52  0.20   0.01   -0.01  
1 1 1 37 24 21 o 4.9059  0.7312 ?       ?         -0.99  -0.39  0.00   0.01   
1 1 1 37 25 0  o 9.0609  0.4264 10.309  0.0000    0.14   0.00   0.00   0.00   
1 1 1 37 25 1  o 5.9206  0.3761 9.3715  28.400    0.30   0.27   0.11   0.15   
1 1 1 37 25 2  f 5.4901  0.4029 4.4286  -4.8000   -0.10  0.21   0.02   -0.01  
1 1 1 37 25 3  o 7.2401  0.2072 7.6659  58.200    0.25   1.06   0.40   0.24   
1 1 1 37 25 4  o 7.9402  0.7474 4.9411  -110.8000 5.75   -0.67  -0.45  0.19   
1 1 1 37 25 5  o 12.543  0.2987 11.644  30.200    1.70   0.39   -0.20  0.02   
1 1 1 37 25 6  o 1.3817  0.5167 2.5150  -98.5000  -0.20  0.17   -0.06  0.05   
1 1 1 37 25 7  o 7.8772  0.1756 7.7856  155.600   -0.32  2.73   1.31   -0.46  
1 1 1 37 25 8  o 5.5504  0.2304 6.2799  -150.5000 -1.04  0.81   0.14   0.42   
1 1 1 37 25 9  o 15.296  0.1462 16.236  -36.9000  -0.57  -0.36  0.15   -0.04  
1 1 1 37 25 10 o 5.2640  0.2771 4.1739  83.200    0.24   0.06   0.08   0.01   
1 1 1 37 25 11 o 2.7241  0.6463 2.1096  -102.2000 0.10   -0.55  0.03   0.03   
1 1 1 37 25 12 f 7.2090  0.2561 8.4779  178.100   0.53   -0.46  -0.10  0.02   
1 1 1 37 25 13 o 14.656  0.5984 16.732  4.3000    5.73   0.84   -0.36  -0.56  
1 1 1 37 25 14 o 7.3597  0.4489 7.1888  93.400    -0.02  -0.32  0.00   0.00   
1 1 1 37 25 15 o 11.639  0.2246 12.909  -35.5000  2.43   0.21   0.75   0.03   
1 1 1 37 25 16 o 6.3260  0.3527 5.9951  107.900   0.17   0.04   0.00   0.00   
1 1 1 37 25 17 o 6.7930  0.4615 ?       ?         0.54   0.72   0.03   0.01   
1 1 1 37 25 18 o 5.3259  0.5665 ?       ?         0.13   -0.03  0.00   -0.00  
1 1 1 37 25 19 o 3.3473  0.8541 ?       ?         -0.42  0.59   0.01   -0.02  
1 1 1 37 25 20 o 5.2414  0.7578 ?       ?         0.14   0.60   0.00   0.01   
1 1 1 37 25 21 o 3.8607  1.0490 ?       ?         0.04   0.29   -0.00  0.00   
1 1 1 37 26 0  o 19.501  0.3079 18.792  -180.0000 -0.29  0.00   0.00   0.00   
1 1 1 37 26 1  o 17.022  0.2168 17.581  -124.0000 -0.26  -0.82  -0.17  -0.09  
1 1 1 37 26 2  o 12.588  0.2388 14.253  110.000   -2.36  1.56   -2.24  -1.35  
1 1 1 37 26 3  o 7.3889  0.3245 5.0681  -96.6000  -0.23  -1.26  0.10   -0.20  
1 1 1 37 26 4  o 18.001  0.4016 17.277  -84.9000  0.77   -1.10  -0.03  0.07   
1 1 1 37 26 5  o 12.351  0.5968 11.649  -81.0000  2.66   -7.32  0.96   0.44   
1 1 1 37 26 6  o 16.132  0.4727 17.518  68.400    -2.78  8.61   0.99   1.64   
1 1 1 37 26 7  o 7.1600  0.2339 6.6287  168.400   -3.42  -0.70  -0.90  -0.93  
1 1 1 37 26 8  o 8.0215  0.1943 8.3783  7.7000    1.43   1.84   0.60   -0.54  
1 1 1 37 26 9  o 3.6534  0.5030 2.9017  -87.7000  -0.97  -1.06  0.08   -0.14  
1 1 1 37 26 10 o 5.6035  0.2696 5.1817  -27.3000  -0.63  -1.06  -0.06  -0.22  
1 1 1 37 26 11 o 8.5346  0.4426 7.1695  -0.8000   2.50   0.73   -0.12  -0.26  
1 1 1 37 26 12 o 12.604  0.2651 10.447  -47.1000  -2.39  -0.75  0.01   -0.43  
1 1 1 37 26 13 o 4.0273  0.3977 4.2739  -2.4000   -0.31  0.07   0.04   0.02   
1 1 1 37 26 14 o 2.4965  0.5891 2.7928  -32.9000  0.05   0.03   -0.00  0.00   
1 1 1 37 26 15 o 6.6687  0.3108 7.2578  14.700    -0.06  0.02   0.00   -0.00  
1 1 1 37 26 16 o 6.8658  0.4442 6.7239  118.300   -0.12  -0.34  -0.00  -0.01  
1 1 1 37 26 17 o 1.6404  1.0395 ?       ?         -0.19  -0.28  0.01   0.02   
1 1 1 37 26 18 o 0.8860  1.0648 ?       ?         -0.03  -0.13  -0.00  0.00   
1 1 1 37 26 19 o 5.1583  0.6276 ?       ?         -0.58  0.35   -0.00  -0.01  
1 1 1 37 26 20 o 4.4671  0.7153 ?       ?         0.22   -0.11  0.00   -0.00  
1 1 1 37 26 21 o 3.8600  0.8039 ?       ?         0.31   0.31   -0.00  0.00   
1 1 1 37 27 0  o 9.4181  0.4019 8.5725  0.0000    -0.38  0.00   0.00   0.00   
1 1 1 37 27 1  f 4.8191  0.4934 5.4957  164.100   0.01   0.14   0.00   -0.01  
1 1 1 37 27 2  o 10.569  0.2834 9.6879  -15.2000  0.13   0.92   0.09   0.21   
1 1 1 37 27 3  o 2.2872  0.6962 3.2780  28.900    -0.23  0.10   -0.05  -0.02  
1 1 1 37 27 4  f 9.6268  0.2502 9.8052  64.400    1.70   -0.81  0.04   0.47   
1 1 1 37 27 5  o 12.590  0.3459 13.202  -94.8000  3.23   -0.76  -0.49  0.00   
1 1 1 37 27 6  o 3.7032  0.2402 2.1593  81.600    -0.27  0.47   0.25   0.05   
1 1 1 37 27 7  o 6.6184  0.1813 7.2121  44.800    1.64   0.11   -0.67  0.42   
1 1 1 37 27 8  o 4.4825  0.2439 3.9899  0.2000    -0.14  -0.39  0.01   -0.05  
1 1 1 37 27 9  o 17.149  0.2015 14.140  -42.6000  1.26   -0.76  -0.22  -0.05  
1 1 1 37 27 10 f 10.109  0.3627 10.153  78.200    -0.77  4.87   0.71   0.85   
1 1 1 37 27 11 o 6.3151  0.3058 6.3905  -125.9000 -1.57  -0.62  -0.31  0.01   
1 1 1 37 27 12 o 6.4381  0.2438 6.4477  47.200    0.57   0.13   -0.04  0.07   
1 1 1 37 27 13 o 6.8572  0.2720 6.2558  -74.3000  0.02   -0.42  -0.04  -0.04  
1 1 1 37 27 14 o 7.2358  0.2819 8.6604  -97.0000  0.40   0.25   0.04   0.01   
1 1 1 37 27 15 o 2.2484  0.7616 3.2168  -11.5000  0.39   -0.48  -0.10  0.00   
1 1 1 37 27 16 o 8.3581  0.2961 7.5938  -148.6000 1.04   -1.09  -0.16  -0.06  
1 1 1 37 27 17 o 9.2723  0.3586 ?       ?         0.63   2.42   -0.25  -0.03  
1 1 1 37 27 18 f 4.7438  0.6350 ?       ?         -1.10  -0.88  -0.02  0.06   
1 1 1 37 27 19 o 7.9297  0.4720 ?       ?         -0.89  -0.06  0.01   -0.01  
1 1 1 37 27 20 o 4.8568  0.6715 ?       ?         -0.04  0.66   -0.00  0.00   
1 1 1 37 27 21 o 4.8610  0.7672 ?       ?         -0.15  0.35   -0.00  -0.00  
1 1 1 37 28 0  o 4.7749  0.6490 2.4971  -180.0000 0.18   0.00   0.00   0.00   
1 1 1 37 28 1  o 6.6412  0.3348 5.3193  -135.4000 0.29   0.83   0.26   0.29   
1 1 1 37 28 2  o 5.8011  0.3905 6.8138  -6.5000   -0.04  -0.12  -0.01  0.01   
1 1 1 37 28 3  o 17.422  0.2102 15.825  -119.1000 0.03   -2.38  0.02   0.77   
1 1 1 37 28 4  o 11.737  0.4054 11.486  76.600    1.81   2.34   -0.21  -0.46  
1 1 1 37 28 5  o 12.140  0.5637 10.717  71.000    -1.74  1.96   -0.04  0.16   
1 1 1 37 28 6  o 6.0578  0.2874 4.5377  11.100    -0.21  1.02   0.08   0.11   
1 1 1 37 28 7  o 13.930  0.2788 15.241  -23.5000  -0.42  -7.39  2.42   -2.12  
1 1 1 37 28 8  o 9.0220  0.1403 8.0754  0.1000    0.31   0.55   -0.15  0.33   
1 1 1 37 28 9  o 9.2315  0.1611 9.0074  -168.3000 -0.35  -0.67  -0.34  0.18   
1 1 1 37 28 10 o 7.5612  0.2312 5.6036  11.600    0.38   1.51   0.05   -0.32  
1 1 1 37 28 11 o 4.9899  0.2970 3.9011  4.6000    -0.10  0.08   -0.01  -0.00  
1 1 1 37 28 12 o 3.8362  0.4033 3.5324  -66.8000  0.28   -0.25  0.01   0.01   
1 1 1 37 28 13 f 10.216  0.2024 10.579  143.400   -1.29  0.19   0.31   -0.05  
1 1 1 37 28 14 o 2.9656  0.5624 1.8342  -125.6000 -0.03  0.32   -0.02  -0.03  
1 1 1 37 28 15 o 8.9104  0.2571 8.8227  145.900   -0.86  -0.05  -0.00  0.05   
1 1 1 37 28 16 o 5.1402  0.4293 ?       ?         0.08   -0.77  -0.05  0.01   
1 1 1 37 28 17 o 6.8425  0.4831 ?       ?         -0.69  0.28   0.02   0.00   
1 1 1 37 28 18 o 5.7327  0.5621 ?       ?         0.15   -1.02  -0.03  -0.02  
1 1 1 37 28 19 o 5.3470  0.6128 ?       ?         -1.29  -0.10  0.04   -0.02  
1 1 1 37 28 20 o 6.7822  0.5898 ?       ?         -0.81  -0.37  -0.00  0.01   
1 1 1 37 29 0  o 9.5341  0.3829 8.6332  180.000   -0.23  0.00   0.00   0.00   
1 1 1 37 29 1  o 6.9850  0.3548 7.9706  -9.7000   -0.32  0.02   -0.01  -0.04  
1 1 1 37 29 2  o 1.4120  0.8852 1.6776  -91.8000  -0.02  -0.10  -0.02  -0.00  
1 1 1 37 29 3  o 3.6078  1.0190 3.1630  110.800   1.05   0.57   -0.12  -0.07  
1 1 1 37 29 4  o 7.4210  0.3197 8.5989  179.200   -0.24  -0.67  0.07   0.28   
1 1 1 37 29 5  o 10.763  0.2134 10.190  -108.1000 -1.92  -2.68  -1.09  -1.44  
1 1 1 37 29 6  o 6.5491  0.3253 6.2063  -23.6000  -0.12  -0.52  0.01   -0.05  
1 1 1 37 29 7  o 9.9312  0.1410 11.181  -158.3000 0.60   -0.97  0.39   -0.52  
1 1 1 37 29 8  o 8.0312  0.1505 7.8894  -15.2000  0.33   -0.13  0.09   -0.08  
1 1 1 37 29 9  o 4.4229  0.4724 3.8484  9.4000    1.47   2.19   0.30   -0.27  
1 1 1 37 29 10 o 4.0364  0.3170 4.8436  12.200    0.52   -0.87  0.15   0.04   
1 1 1 37 29 11 f 1.2620  0.6652 0.8394  -122.5000 -0.07  -0.09  -0.02  0.01   
1 1 1 37 29 12 f 5.7777  0.2817 4.3738  -63.0000  0.70   -0.60  0.15   0.04   
1 1 1 37 29 13 o 8.4069  0.8247 8.4774  34.900    4.03   1.71   -0.27  -0.08  
1 1 1 37 29 14 o 6.0975  0.3480 7.1132  -175.9000 -0.75  -0.38  0.04   -0.04  
1 1 1 37 29 15 f 8.4153  0.4393 9.1398  -162.2000 -2.04  2.07   0.34   0.07   
1 1 1 37 29 16 o 3.1554  0.7056 ?       ?         0.06   0.35   -0.01  -0.01  
1 1 1 37 29 17 o 6.7561  0.4672 ?       ?         -0.56  0.80   -0.01  -0.02  
1 1 1 37 29 18 o 3.3917  0.8357 ?       ?         0.08   0.16   0.00   0.00   
1 1 1 37 29 19 o 3.9599  0.8094 ?       ?         0.60   -0.12  0.01   -0.00  
1 1 1 37 29 20 o 6.0509  0.6757 ?       ?         -1.27  0.40   0.01   -0.01  
1 1 1 37 30 0  o 5.8566  0.5517 8.2693  180.000   -0.03  0.00   0.00   0.00   
1 1 1 37 30 1  o 13.372  0.4944 11.513  53.800    4.85   0.77   -0.76  0.17   
1 1 1 37 30 2  o 10.497  0.2549 8.3652  -58.3000  0.18   -0.07  0.01   0.00   
1 1 1 37 30 3  o 14.794  0.2121 13.494  -163.4000 -0.59  -0.09  0.14   0.01   
1 1 1 37 30 4  f 4.0650  0.5370 2.1992  10.0000   0.29   0.11   -0.02  0.01   
1 1 1 37 30 5  o 6.4669  0.6422 6.4505  -55.3000  0.05   -2.07  0.18   0.14   
1 1 1 37 30 6  f 7.5029  0.4208 7.5214  -71.2000  1.84   -1.76  -0.26  0.31   
1 1 1 37 30 7  o 7.3680  0.1385 6.9315  -20.8000  0.09   -0.79  0.12   -0.16  
1 1 1 37 30 8  o 5.4322  0.1928 4.1252  -94.6000  0.78   0.33   -0.14  -0.00  
1 1 1 37 30 9  o 4.8328  0.3177 6.6545  0.7000    0.47   0.93   0.10   -0.04  
1 1 1 37 30 10 o 0.0000  1.3964 ?       ?         -0.05  0.02   0.00   -0.01  
1 1 1 37 30 11 o 3.7197  0.5794 2.7102  -90.2000  -0.20  -1.31  0.06   -0.09  
1 1 1 37 30 12 o 10.665  0.1930 10.087  -160.9000 -0.03  -1.13  -0.20  0.06   
1 1 1 37 30 13 o 9.0952  0.2409 8.0071  41.100    -0.57  -0.65  0.05   0.09   
1 1 1 37 30 14 o 4.1914  0.4391 3.0617  -46.7000  -0.08  0.28   -0.01  0.01   
1 1 1 37 30 15 o 4.7052  0.4938 4.5021  -138.4000 0.08   -0.70  0.01   -0.03  
1 1 1 37 30 16 o 3.8535  0.6670 ?       ?         -0.04  -0.02  0.00   -0.00  
1 1 1 37 30 17 f 1.9268  0.9337 ?       ?         0.20   0.45   -0.02  0.01   
1 1 1 37 30 18 o 4.4543  0.6862 ?       ?         -0.01  0.93   -0.02  0.01   
1 1 1 37 30 19 o 2.7107  1.3057 ?       ?         0.03   0.17   -0.00  -0.00  
1 1 1 37 30 20 o 8.2311  0.7216 ?       ?         1.91   0.49   0.00   -0.01  
1 1 1 37 31 0  o 7.6420  0.4851 5.4726  -180.0000 0.20   0.00   0.00   0.00   
1 1 1 37 31 1  o 4.4713  0.8452 4.2073  20.800    0.20   0.02   -0.00  0.00   
1 1 1 37 31 2  o 4.6505  0.4530 4.4401  -126.3000 0.52   -0.42  0.22   -0.04  
1 1 1 37 31 3  o 3.9616  0.5606 3.1100  -33.2000  -0.07  -0.44  -0.11  0.05   
1 1 1 37 31 4  o 2.8679  1.0955 3.9499  128.100   -0.60  0.02   -0.04  0.03   
1 1 1 37 31 5  o 6.1044  0.3993 6.4574  -52.5000  0.34   0.54   -0.13  0.00   
1 1 1 37 31 6  o 12.649  0.6417 10.946  -102.5000 -0.59  -5.82  0.55   0.17   
1 1 1 37 31 7  o 9.0171  0.5606 9.3165  162.800   -0.93  1.34   -0.00  0.06   
1 1 1 37 31 8  o 7.2997  0.1927 5.5512  -37.7000  0.90   -0.19  0.02   0.18   
1 1 1 37 31 9  o 5.5678  0.2123 7.1291  -81.9000  0.53   -0.03  0.21   -0.12  
1 1 1 37 31 10 o 7.9878  0.3201 7.9667  119.600   -2.49  0.68   -0.07  0.45   
1 1 1 37 31 11 o 5.2346  0.2789 5.4633  110.400   -0.98  0.03   -0.06  -0.11  
1 1 1 37 31 12 o 4.9444  0.3357 6.3949  20.200    0.79   0.39   0.15   -0.03  
1 1 1 37 31 13 o 4.0739  0.4214 3.0241  -104.8000 0.05   0.08   0.00   0.00   
1 1 1 37 31 14 o 12.836  0.2083 13.097  -160.5000 -0.08  -0.36  -0.00  0.01   
1 1 1 37 31 15 o 9.7277  0.4112 ?       ?         -1.13  -1.32  0.08   0.05   
1 1 1 37 31 16 o 9.8810  0.3333 ?       ?         -0.79  -0.30  0.01   0.01   
1 1 1 37 31 17 o 3.8694  1.2005 ?       ?         0.09   -0.65  -0.01  0.01   
1 1 1 37 31 18 o 3.4051  1.1209 ?       ?         -0.03  1.00   -0.02  0.02   
1 1 1 37 31 19 o 8.2517  0.6095 ?       ?         1.18   0.38   0.01   0.00   
1 1 1 37 32 0  o 19.652  0.2809 21.851  -0.0000   1.25   0.00   0.00   0.00   
1 1 1 37 32 1  o 12.325  0.2555 12.485  137.600   0.46   0.46   -0.07  0.00   
1 1 1 37 32 2  o 5.1139  0.5015 4.0636  173.900   0.03   -0.76  0.03   -0.04  
1 1 1 37 32 3  o 9.0440  0.3077 10.451  -124.1000 0.26   0.59   0.02   0.09   
1 1 1 37 32 4  f 5.5239  0.4502 2.9466  165.100   -0.05  -0.09  0.00   0.00   
1 1 1 37 32 5  o 12.262  0.2367 11.850  167.300   -2.63  1.39   0.62   0.54   
1 1 1 37 32 6  o 4.7815  0.9377 4.2773  -40.9000  0.50   -1.05  0.01   0.05   
1 1 1 37 32 7  o 4.8741  0.4491 6.8957  -11.5000  0.28   -1.32  0.05   0.15   
1 1 1 37 32 8  o 1.5790  0.4508 2.0089  170.200   -0.13  -0.01  0.04   0.01   
1 1 1 37 32 9  o 4.2963  0.3385 4.5359  -134.3000 -0.93  0.79   -0.11  0.09   
1 1 1 37 32 10 o 5.2281  0.2495 4.3936  -9.9000   -0.03  -0.11  0.00   -0.00  
1 1 1 37 32 11 o 5.5814  0.2718 6.2848  -138.1000 -0.88  0.25   0.22   0.07   
1 1 1 37 32 12 o 2.6646  0.5446 2.8453  140.700   -0.06  -0.08  -0.00  0.00   
1 1 1 37 32 13 o 5.5825  0.3249 5.7945  -31.0000  1.01   -1.33  0.25   -0.17  
1 1 1 37 32 14 o 3.9501  0.4956 3.1139  91.400    0.26   0.01   0.00   0.01   
1 1 1 37 32 15 o 4.6188  0.5614 ?       ?         0.17   -0.04  0.00   -0.00  
1 1 1 37 32 16 o 2.8997  1.3663 ?       ?         0.15   0.60   -0.00  0.02   
1 1 1 37 32 17 o 5.2129  0.7149 ?       ?         0.56   -0.00  0.00   0.00   
1 1 1 37 32 18 o 2.9235  1.1071 ?       ?         0.07   0.12   -0.00  0.00   
1 1 1 37 32 19 o 11.530  1.0531 ?       ?         5.06   -3.60  0.08   -0.01  
1 1 1 37 33 0  o 8.6545  0.4498 9.2386  0.0000    0.28   0.00   0.00   0.00   
1 1 1 37 33 1  o 4.3909  0.5593 4.3354  39.300    0.06   0.13   0.00   0.00   
1 1 1 37 33 2  o 13.177  0.5456 12.638  104.100   -1.93  0.88   -0.15  0.00   
1 1 1 37 33 3  o 9.6368  0.4966 11.584  -139.7000 -3.58  -2.88  -0.66  -0.45  
1 1 1 37 33 4  o 9.0113  0.3102 9.2217  -9.8000   0.91   -0.59  0.11   0.06   
1 1 1 37 33 5  o 3.4503  0.5918 2.3755  -8.5000   0.17   -0.18  0.01   0.00   
1 1 1 37 33 6  o 8.2622  0.3346 8.3035  -125.8000 0.49   0.64   0.07   0.04   
1 1 1 37 33 7  o 6.1031  0.3074 5.6480  -75.4000  -0.54  -0.49  0.11   0.05   
1 1 1 37 33 8  o 4.6909  0.2649 6.2730  -161.4000 -0.71  0.23   -0.08  -0.04  
1 1 1 37 33 9  o 8.8077  0.3148 8.2654  -157.0000 -2.36  -1.30  0.07   -0.34  
1 1 1 37 33 10 o 13.862  0.1447 13.444  133.300   -1.73  -0.11  0.24   -0.18  
1 1 1 37 33 11 o 2.7208  0.4807 3.3034  33.600    -0.40  0.50   -0.06  0.03   
1 1 1 37 33 12 o 7.2075  0.2606 7.2461  153.100   -1.50  -0.25  0.22   0.26   
1 1 1 37 33 13 o 5.0030  0.3632 5.3017  -149.2000 -0.77  -0.35  0.09   -0.00  
1 1 1 37 33 14 o 3.1311  0.6488 ?       ?         0.02   -0.11  -0.00  0.00   
1 1 1 37 33 15 o 2.9116  0.8542 ?       ?         0.35   -0.03  0.01   0.00   
1 1 1 37 33 16 o 3.6335  0.8327 ?       ?         -0.07  0.15   -0.00  -0.00  
1 1 1 37 33 17 o 4.5650  0.7842 ?       ?         0.27   -0.98  -0.01  -0.01  
1 1 1 37 33 18 o 3.4283  1.6181 ?       ?         0.33   0.06   0.00   0.00   
1 1 1 37 33 19 o 3.9101  1.1742 ?       ?         -0.93  -0.12  -0.00  -0.00  
1 1 1 37 34 0  o 11.041  0.4017 11.293  0.0000    -1.31  0.00   0.00   0.00   
1 1 1 37 34 1  f 3.4663  0.5275 5.7458  92.600    -0.80  -0.15  -0.06  0.14   
1 1 1 37 34 2  o 5.4657  0.4641 5.1100  -148.7000 -0.60  -0.43  0.04   -0.03  
1 1 1 37 34 3  o 9.8515  0.3603 9.9622  90.700    0.73   1.49   0.17   0.04   
1 1 1 37 34 4  o 6.1996  0.3835 6.1429  -8.1000   0.83   -0.24  0.13   -0.13  
1 1 1 37 34 5  o 6.3220  0.5704 7.6380  -124.8000 -0.24  -1.02  0.02   -0.05  
1 1 1 37 34 6  o 3.1485  1.4292 3.4376  36.000    -0.01  0.54   0.02   0.02   
1 1 1 37 34 7  o 1.6336  0.9054 2.0432  87.500    0.24   0.47   -0.02  -0.05  
1 1 1 37 34 8  o 5.3124  0.4775 5.9211  85.800    2.64   2.28   0.21   -0.48  
1 1 1 37 34 9  o 5.4940  0.1930 5.5907  36.400    0.97   0.45   -0.26  0.25   
1 1 1 37 34 10 o 9.8702  0.1649 10.456  -35.2000  0.71   -0.90  -0.18  -0.06  
1 1 1 37 34 11 o 1.5524  0.6864 1.8958  -138.1000 -0.05  0.09   0.00   -0.00  
1 1 1 37 34 12 o 3.5280  1.5502 2.6499  153.000   1.01   1.02   -0.07  -0.08  
1 1 1 37 34 13 f 3.3173  0.5549 3.0721  26.000    0.31   0.27   0.02   0.01   
1 1 1 37 34 14 o 3.6938  0.7109 ?       ?         -0.28  0.08   0.00   -0.00  
1 1 1 37 34 15 o 4.3082  0.7053 ?       ?         0.46   0.23   0.01   0.00   
1 1 1 37 34 16 o 5.2052  0.7657 ?       ?         -0.07  0.54   -0.00  0.00   
1 1 1 37 34 17 o 2.4508  1.2212 ?       ?         -0.21  -0.18  0.00   0.00   
1 1 1 37 34 18 o 6.9180  0.9019 ?       ?         0.17   1.37   0.00   -0.01  
1 1 1 37 35 0  f 0.8944  1.1695 3.5962  -0.0000   -0.05  0.00   0.00   0.00   
1 1 1 37 35 1  f 5.9218  0.4440 5.9368  -139.4000 0.34   -0.94  -0.11  -0.15  
1 1 1 37 35 2  o 4.2112  1.2139 4.1413  -30.6000  -1.02  -0.90  0.02   -0.06  
1 1 1 37 35 3  o 7.2723  0.4502 7.6126  -153.1000 0.18   0.50   -0.01  -0.02  
1 1 1 37 35 4  o 9.7273  0.6188 9.0039  -69.2000  0.49   -2.01  0.11   -0.06  
1 1 1 37 35 5  o 13.053  0.2514 12.555  104.900   -1.41  2.18   0.09   -0.65  
1 1 1 37 35 6  o 3.1327  1.4378 2.0504  122.600   0.10   -0.21  0.01   -0.00  
1 1 1 37 35 7  o 5.3976  0.5167 5.6128  -111.7000 0.00   0.23   0.00   -0.00  
1 1 1 37 35 8  o 2.7475  1.0076 2.9955  -22.9000  0.56   0.07   -0.03  0.01   
1 1 1 37 35 9  o 5.8748  0.2096 6.4444  -48.4000  0.25   0.25   0.02   0.00   
1 1 1 37 35 10 f 3.0249  0.7199 2.1050  123.700   -0.59  0.75   -0.03  0.05   
1 1 1 37 35 11 o 2.5047  0.5457 3.0533  -177.5000 -0.08  -0.15  -0.01  0.00   
1 1 1 37 35 12 o 4.3735  0.4401 4.3980  92.400    -0.90  -0.70  0.09   -0.01  
1 1 1 37 35 13 o 3.7772  0.6493 ?       ?         0.55   -0.64  0.01   -0.03  
1 1 1 37 35 14 o 6.7119  0.5061 ?       ?         0.88   -1.52  -0.00  -0.05  
1 1 1 37 35 15 o 8.4833  0.5862 ?       ?         0.11   0.12   0.00   0.00   
1 1 1 37 35 16 o 5.8244  0.8228 ?       ?         0.75   0.21   -0.00  0.00   
1 1 1 37 35 17 o 6.5124  0.8994 ?       ?         1.25   -0.17  -0.01  0.00   
1 1 1 37 36 0  o 0.0000  2.4495 1.2908  -0.0000   0.01   0.00   0.00   0.00   
1 1 1 37 36 1  o 3.3685  1.1430 2.8920  91.000    0.04   0.20   0.00   0.00   
1 1 1 37 36 2  o 3.9912  0.5297 3.8502  -113.0000 -0.25  0.04   0.01   0.00   
1 1 1 37 36 3  o 5.1326  0.4519 5.1029  -176.5000 0.22   -0.73  -0.03  0.05   
1 1 1 37 36 4  o 4.0065  0.5623 4.3852  -122.0000 0.17   -0.10  -0.00  -0.01  
1 1 1 37 36 5  f 5.0414  0.5028 5.0301  18.200    0.30   -0.09  0.01   0.01   
1 1 1 37 36 6  o 6.8993  0.4091 7.6284  48.500    0.31   0.87   0.02   0.05   
1 1 1 37 36 7  o 8.6061  0.3290 10.221  54.500    1.76   0.71   0.04   0.31   
1 1 1 37 36 8  o 8.8507  0.2039 8.9898  -56.7000  1.29   -0.53  -0.11  -0.14  
1 1 1 37 36 9  o 4.0133  0.4236 3.0294  166.700   -1.49  0.03   -0.08  0.15   
1 1 1 37 36 10 o 7.2380  0.2679 7.8975  -100.7000 0.67   1.15   0.10   0.09   
1 1 1 37 36 11 o 6.2564  0.3207 6.0831  9.5000    1.06   -0.37  0.07   -0.11  
1 1 1 37 36 12 o 5.7474  0.3381 ?       ?         -0.64  0.55   0.01   -0.05  
1 1 1 37 36 13 o 4.0804  0.6050 ?       ?         -0.08  0.62   -0.01  -0.01  
1 1 1 37 36 14 f 2.5735  1.1395 ?       ?         0.22   -0.42  -0.01  -0.00  
1 1 1 37 36 15 o 5.8990  0.7690 ?       ?         0.52   -0.25  -0.00  -0.00  
1 1 1 37 36 16 o 0.0000  3.7947 ?       ?         0.23   -0.21  0.00   0.00   
1 1 1 37 37 0  o 3.4496  1.1844 4.2689  0.0000    0.07   0.00   0.00   0.00   
1 1 1 37 37 1  o 3.8079  0.7361 1.6855  90.000    0.00   0.00   0.00   0.00   
1 1 1 37 37 2  o 1.7889  1.0890 1.5810  0.0000    -0.05  0.00   0.00   0.00   
1 1 1 37 37 3  o 0.0000  2.8107 3.5259  90.000    0.00   0.20   0.00   0.00   
1 1 1 37 37 4  o 3.1464  0.7914 3.5639  180.000   -0.21  0.00   0.00   0.00   
1 1 1 37 37 5  o 8.5147  0.4139 8.3317  -90.0000  -0.00  -0.99  0.00   0.00   
1 1 1 37 37 6  o 2.5884  0.8707 4.3892  -0.0000   -0.02  0.00   0.00   0.00   
1 1 1 37 37 7  f 8.7350  0.4253 8.1712  -90.0000  -0.00  -0.17  0.00   0.00   
1 1 1 37 37 8  o 6.6030  1.1946 8.8030  0.0000    0.02   0.00   0.00   0.00   
1 1 1 37 37 9  o 2.3452  0.7456 3.9163  -90.0000  -0.00  -0.25  0.00   0.00   
1 1 1 37 37 10 o 6.0166  0.4546 5.9772  0.0000    0.59   0.00   0.00   0.00   
1 1 1 37 37 11 o 2.3452  0.8035 2.7148  -90.0000  -0.00  -0.14  0.00   0.00   
1 1 1 37 37 12 o 7.7782  0.6395 ?       ?         0.96   0.00   0.00   0.00   
1 1 1 37 37 13 o 5.1478  0.8907 ?       ?         -0.00  -0.06  0.00   0.00   
1 1 1 37 37 14 f 9.1978  0.7282 ?       ?         -1.30  0.00   0.00   0.00   
1 1 1 38 0  0  o 16.242  0.2337 24.994  0.0000    0.23   0.00   0.00   0.00   
1 1 1 38 0  1  o 6.7676  0.2424 6.5611  -45.2000  -0.05  0.05   0.00   0.00   
1 1 1 38 0  2  o 19.512  0.1853 18.162  -90.1000  -0.00  -0.26  0.00   0.00   
1 1 1 38 0  3  o 7.9373  0.2265 1.9326  45.200    -0.09  -0.09  0.00   0.00   
1 1 1 38 0  4  o 12.227  0.1972 5.5416  0.1000    -0.00  0.00   0.00   0.00   
1 1 1 38 0  5  o 11.158  0.2541 3.4853  -45.1000  0.04   -0.04  0.00   0.00   
1 1 1 38 0  6  o 7.9750  0.2550 13.422  -90.2000  -0.00  -0.01  0.00   0.00   
1 1 1 38 0  7  o 10.286  0.2236 9.8394  -135.0000 -0.05  -0.05  0.00   0.00   
1 1 1 38 0  8  o 5.4314  0.3455 1.0026  -0.0000   -0.11  0.00   0.00   0.00   
1 1 1 38 0  9  o 15.349  0.2500 14.884  135.000   -0.04  0.04   0.00   0.00   
1 1 1 38 0  10 o 3.2711  0.5548 1.5862  -90.5000  -0.00  -0.00  0.00   0.00   
1 1 1 38 0  11 o 20.572  0.2402 20.215  45.000    0.95   0.95   0.00   0.00   
1 1 1 38 0  12 o 8.4853  0.3124 8.0322  0.0000    -0.32  0.00   0.00   0.00   
1 1 1 38 0  13 o 5.6036  0.4297 7.0407  135.000   -0.04  0.04   0.00   0.00   
1 1 1 38 0  14 o 9.0829  0.2983 5.8185  90.000    0.00   0.17   0.00   0.00   
1 1 1 38 0  15 o 0.0000  2.2804 0.5315  -135.0000 0.02   0.02   0.00   0.00   
1 1 1 38 0  16 o 11.424  0.3026 11.413  0.0000    0.24   0.00   0.00   0.00   
1 1 1 38 0  17 o 2.6458  0.8297 2.4156  135.000   -0.02  0.02   0.00   0.00   
1 1 1 38 0  18 o 7.0285  0.4660 7.6708  -90.0000  -0.00  -0.13  0.00   0.00   
1 1 1 38 0  19 o 3.4059  0.7916 2.4194  -135.0000 -0.15  -0.15  0.00   0.00   
1 1 1 38 0  20 o 0.0000  2.4900 1.1244  0.0000    0.09   0.00   0.00   0.00   
1 1 1 38 0  21 o 0.0000  2.5298 ?       ?         0.06   -0.06  0.00   0.00   
1 1 1 38 0  22 o 0.0000  3.2404 ?       ?         0.00   0.15   0.00   0.00   
1 1 1 38 0  23 o 8.1425  0.7709 ?       ?         -0.45  -0.45  0.00   0.00   
1 1 1 38 1  0  o 10.714  0.1880 12.588  -179.9000 -0.27  0.00   0.00   0.00   
1 1 1 38 1  1  o 21.040  0.2480 22.197  -60.4000  -0.54  -2.04  0.43   -0.09  
1 1 1 38 1  2  o 10.403  0.1798 15.082  5.3000    0.33   -0.39  0.11   0.15   
1 1 1 38 1  3  o 13.501  0.2553 17.586  -145.2000 -1.76  -0.14  -0.27  -0.10  
1 1 1 38 1  4  o 9.6176  0.4557 11.092  -146.3000 -11.36 -2.91  -4.16  -1.77  
1 1 1 38 1  5  o 27.577  0.1617 22.699  125.000   -0.41  -1.08  -1.63  -0.56  
1 1 1 38 1  6  o 7.7118  0.4124 7.3543  162.300   1.85   3.11   0.23   -0.57  
1 1 1 38 1  7  o 3.7710  0.3299 2.8652  -97.8000  0.24   -0.28  -0.02  0.10   
1 1 1 38 1  8  o 27.303  0.3367 26.838  -95.7000  -0.99  -2.96  0.24   -0.53  
1 1 1 38 1  9  o 14.223  0.3699 11.715  -109.8000 -3.02  -0.76  -0.34  -0.30  
1 1 1 38 1  10 o 12.687  0.1510 14.553  144.600   0.50   -0.53  0.02   -1.68  
1 1 1 38 1  11 o 8.1309  0.2025 7.9834  119.100   1.27   0.30   -1.00  0.77   
1 1 1 38 1  12 o 1.2763  0.6860 2.0980  9.0000    -0.01  0.03   -0.01  -0.01  
1 1 1 38 1  13 o 11.254  0.3758 9.9064  126.100   -3.83  0.22   -0.81  -0.24  
1 1 1 38 1  14 o 3.2534  0.4802 3.7453  -9.9000   -0.07  0.51   0.08   -0.03  
1 1 1 38 1  15 o 2.8917  0.5290 1.0121  -163.6000 -0.06  0.05   0.00   0.00   
1 1 1 38 1  16 o 19.484  0.3660 19.037  71.400    3.34   2.28   -0.77  -0.15  
1 1 1 38 1  17 f 3.3349  0.4877 3.0749  -126.5000 -0.16  -0.10  -0.01  0.01   
1 1 1 38 1  18 o 16.029  0.1838 16.185  65.000    -0.63  1.32   -0.26  -0.04  
1 1 1 38 1  19 o 5.6511  0.3685 5.9498  78.500    0.36   -0.28  -0.03  -0.01  
1 1 1 38 1  20 o 7.6444  0.2980 8.2617  -78.6000  -0.55  0.81   -0.17  -0.03  
1 1 1 38 1  21 o 3.4819  1.5607 ?       ?         0.48   -0.19  -0.02  -0.00  
1 1 1 38 1  22 o 6.7391  0.4838 ?       ?         1.72   -0.18  0.10   -0.06  
1 1 1 38 1  23 o 8.6685  0.5501 ?       ?         -0.57  -0.06  0.01   0.00   
1 1 1 38 2  0  o 8.9499  0.2181 6.4776  -179.9000 -0.01  0.00   0.00   0.00   
1 1 1 38 2  1  o 7.6040  0.4425 10.762  155.000   -0.38  3.41   0.42   0.13   
1 1 1 38 2  2  o 16.753  0.1461 14.586  91.600    -0.06  0.53   -1.69  -0.22  
1 1 1 38 2  3  f 10.456  0.1414 12.708  118.200   1.07   1.39   -0.14  -1.48  
1 1 1 38 2  4  o 23.122  0.1268 27.777  46.000    1.42   0.03   -0.47  2.52   
1 1 1 38 2  5  o 15.960  0.7512 18.459  109.200   0.08   20.53  4.03   -0.35  
1 1 1 38 2  6  o 13.264  0.4597 11.425  -94.6000  -1.71  -1.45  -0.03  -0.12  
1 1 1 38 2  7  o 11.015  0.1601 9.0583  39.400    0.21   0.24   -0.01  -0.03  
1 1 1 38 2  8  o 13.797  0.2817 11.101  115.500   1.96   1.52   0.02   -0.51  
1 1 1 38 2  9  o 14.370  0.2743 11.340  157.800   -1.60  2.45   0.51   0.55   
1 1 1 38 2  10 o 8.9381  0.2021 6.1944  -93.6000  -0.24  -0.18  -0.12  -0.02  
1 1 1 38 2  11 o 9.7002  0.1956 10.563  169.800   -0.05  0.22   -0.07  -0.07  
1 1 1 38 2  12 o 4.6960  0.3317 5.9604  36.000    -0.22  -0.14  0.06   0.25   
1 1 1 38 2  13 o 11.666  0.1858 12.127  -5.5000   1.00   0.98   0.97   -0.23  
1 1 1 38 2  14 o 6.5570  0.2683 4.4707  51.900    -0.19  0.56   0.02   0.06   
1 1 1 38 2  15 o 9.0932  0.2282 8.9335  -102.1000 -0.53  -1.08  -0.15  -0.34  
1 1 1 38 2  16 o 6.8368  0.2917 6.4936  151.700   -0.26  -0.27  -0.05  -0.01  
1 1 1 38 2  17 f 7.2545  0.2832 7.7208  89.200    0.42   0.10   -0.02  0.02   
1 1 1 38 2  18 o 16.297  0.1828 17.977  156.200   0.39   0.66   -0.07  0.01   
1 1 1 38 2  19 o 9.0508  0.2673 11.264  48.600    0.74   0.33   -0.03  0.10   
1 1 1 38 2  20 o 10.655  0.2515 11.487  48.000    1.46   0.63   0.31   0.21   
1 1 1 38 2  21 o 2.4871  0.7298 ?       ?         0.15   0.03   0.01   0.00   
1 1 1 38 2  22 o 2.2434  0.8900 ?       ?         -0.57  -0.22  0.04   0.02   
1 1 1 38 2  23 o 4.3644  1.1652 ?       ?         -0.31  0.20   0.00   -0.00  
1 1 1 38 3  0  f 3.5496  0.3911 3.0516  -179.8000 -0.03  0.00   0.00   0.00   
1 1 1 38 3  1  o 6.2819  0.2193 7.9184  -29.8000  0.64   0.57   0.00   -0.13  
1 1 1 38 3  2  o 7.3971  0.3739 4.7692  -46.5000  3.56   -2.72  -0.19  1.06   
1 1 1 38 3  3  o 8.7529  0.5142 6.5260  156.100   -7.38  4.59   -0.73  1.78   
1 1 1 38 3  4  o 18.392  0.1324 18.824  84.400    0.83   0.38   -0.71  0.03   
1 1 1 38 3  5  o 16.479  0.1590 16.869  -141.9000 -0.19  0.75   -0.05  0.81   
1 1 1 38 3  6  o 11.704  0.2681 8.7276  112.500   -0.60  2.13   0.27   0.24   
1 1 1 38 3  7  o 5.9173  0.3513 2.5178  18.700    2.52   0.13   -0.58  0.04   
1 1 1 38 3  8  o 4.3712  0.3126 2.2225  9.1000    0.10   0.25   0.01   -0.02  
1 1 1 38 3  9  o 12.618  0.4286 11.340  -139.7000 0.03   -3.08  0.35   0.08   
1 1 1 38 3  10 o 18.927  0.1443 15.702  154.700   -0.04  -1.04  0.16   0.25   
1 1 1 38 3  11 o 12.479  0.2228 10.696  -66.5000  1.49   -1.23  0.27   0.50   
1 1 1 38 3  12 o 8.2362  0.4317 7.1999  54.900    0.78   2.38   0.34   -0.11  
1 1 1 38 3  13 o 8.7849  0.2128 10.894  -137.1000 0.11   -0.79  0.07   0.29   
1 1 1 38 3  14 f 11.224  0.2034 11.176  167.200   0.03   -0.44  0.03   -0.03  
1 1 1 38 3  15 o 9.3891  0.3743 8.6894  -53.1000  1.54   -1.62  -0.22  0.35   
1 1 1 38 3  16 o 9.8404  0.2219 9.8997  161.200   -0.24  0.24   0.04   -0.01  
1 1 1 38 3  17 o 7.4541  0.2706 8.2659  11.700    -0.01  0.28   -0.01  0.03   
1 1 1 38 3  18 o 8.1188  0.5805 8.0016  -32.2000  1.90   -0.33  -0.08  0.12   
1 1 1 38 3  19 o 10.666  0.2213 11.826  -164.4000 -1.19  0.60   0.29   -0.15  
1 1 1 38 3  20 o 6.8969  0.3342 8.2458  -165.3000 -0.59  -0.18  0.03   -0.04  
1 1 1 38 3  21 o 3.7631  0.5964 ?       ?         0.01   -0.11  -0.00  -0.00  
1 1 1 38 3  22 o 6.2599  0.5693 ?       ?         -0.61  -0.06  -0.00  0.01   
1 1 1 38 3  23 o 3.9684  1.0370 ?       ?         -0.16  0.22   0.00   -0.00  
1 1 1 38 3  24 o 4.5607  1.6404 ?       ?         0.45   0.66   0.00   0.00   
1 1 1 38 4  0  o 8.3964  0.2261 8.2610  -0.2000   -0.13  0.00   0.00   0.00   
1 1 1 38 4  1  o 15.618  0.1640 15.062  90.800    -0.32  0.46   0.00   0.07   
1 1 1 38 4  2  o 20.281  0.1306 22.552  -81.3000  0.70   -0.52  0.45   0.56   
1 1 1 38 4  3  o 25.436  0.1374 27.709  23.400    2.07   -0.29  -0.71  1.83   
1 1 1 38 4  4  o 3.6056  0.2930 6.8195  83.400    0.01   0.06   -0.17  0.04   
1 1 1 38 4  5  o 17.388  0.1209 15.475  -101.2000 -0.96  -0.38  -1.92  1.40   
1 1 1 38 4  6  o 16.809  0.1292 12.903  -126.1000 -0.56  0.17   -0.05  0.25   
1 1 1 38 4  7  o 7.1308  0.2036 7.9254  -140.3000 -0.07  -0.25  0.02   -0.03  
1 1 1 38 4  8  o 7.7753  0.1877 4.2403  15.500    0.25   0.25   0.07   -0.09  
1 1 1 38 4  9  o 6.2195  0.2388 10.663  0.7000    0.07   0.00   -0.00  -0.00  
1 1 1 38 4  10 o 6.1249  0.2527 4.9621  61.500    -0.01  0.26   0.03   0.11   
1 1 1 38 4  11 f 11.381  0.3254 11.199  -132.9000 2.62   -2.68  -0.45  0.99   
1 1 1 38 4  12 o 3.0255  0.4539 1.4778  140.400   0.16   -0.09  0.10   0.02   
1 1 1 38 4  13 o 11.086  0.1811 11.868  120.900   -0.30  0.72   0.31   -0.26  
1 1 1 38 4  14 o 18.930  0.3340 19.589  161.600   -3.63  -1.31  -0.18  -0.79  
1 1 1 38 4  15 o 13.377  0.1818 12.212  76.200    0.48   -0.54  0.12   -0.00  
1 1 1 38 4  16 o 5.3447  0.3182 5.6797  -41.2000  -0.58  -0.72  -0.13  -0.15  
1 1 1 38 4  17 o 8.9412  0.3167 8.9809  -49.5000  0.72   -0.58  0.06   0.06   
1 1 1 38 4  18 o 2.3140  0.6816 2.0663  -7.2000   0.02   -0.04  -0.00  -0.00  
1 1 1 38 4  19 o 11.995  0.2245 12.521  -37.7000  -0.13  0.13   0.00   -0.00  
1 1 1 38 4  20 o 6.4296  0.6088 7.6859  -119.2000 -0.83  -2.51  0.32   0.10   
1 1 1 38 4  21 o 4.5973  0.5531 ?       ?         -0.27  0.73   0.00   -0.04  
1 1 1 38 4  22 o 1.5939  1.1860 ?       ?         -0.16  0.31   -0.01  0.00   
1 1 1 38 4  23 o 4.4290  1.5825 ?       ?         -0.32  0.24   -0.00  -0.00  
1 1 1 38 4  24 o 6.4576  1.2721 ?       ?         -0.28  0.46   0.00   0.00   
1 1 1 38 5  0  o 2.9665  0.4492 0.6949  175.800   0.02   0.00   0.00   0.00   
1 1 1 38 5  1  o 16.261  0.1431 23.952  -22.9000  0.53   -0.66  0.33   0.30   
1 1 1 38 5  2  o 16.223  0.1295 16.702  -155.5000 0.21   -0.26  -0.32  -0.71  
1 1 1 38 5  3  o 26.611  0.2934 26.039  -66.9000  1.61   -4.08  1.22   0.49   
1 1 1 38 5  4  o 13.794  0.3615 11.712  178.300   -6.40  -3.29  -0.96  -1.83  
1 1 1 38 5  5  o 8.3750  0.1745 8.8564  179.400   -0.23  -2.83  1.44   -0.58  
1 1 1 38 5  6  o 23.938  0.2183 23.839  43.500    1.66   1.11   -0.31  -0.29  
1 1 1 38 5  7  o 1.0663  0.6787 4.9424  -78.7000  0.11   0.28   0.10   -0.05  
1 1 1 38 5  8  o 5.5547  0.2531 5.7639  -6.8000   0.53   -0.00  -0.23  1.27   
1 1 1 38 5  9  o 12.615  0.1462 12.965  40.400    0.06   1.24   0.56   0.45   
1 1 1 38 5  10 o 13.379  0.1498 12.821  102.800   -0.55  -0.69  0.56   -0.05  
1 1 1 38 5  11 o 6.6215  0.2430 3.8279  64.800    -1.03  0.92   0.17   0.37   
1 1 1 38 5  12 o 4.4972  0.3359 4.5289  -68.7000  0.21   -1.38  0.31   0.31   
1 1 1 38 5  13 o 4.2341  0.4482 2.3894  -8.5000   0.14   -1.34  0.17   0.12   
1 1 1 38 5  14 o 10.212  0.2223 10.379  114.500   1.14   0.02   -0.20  0.37   
1 1 1 38 5  15 o 13.954  0.4734 12.416  127.100   -3.10  1.00   -0.35  0.03   
1 1 1 38 5  16 o 5.3130  0.3529 4.5529  -88.1000  0.03   -0.42  -0.10  -0.11  
1 1 1 38 5  17 o 4.3344  0.8247 3.7788  -103.8000 -0.80  -0.40  -0.03  -0.02  
1 1 1 38 5  18 o 20.012  0.1713 21.517  -117.1000 -0.28  -0.95  -0.02  0.08   
1 1 1 38 5  19 o 7.7139  0.3059 8.0324  123.400   0.69   1.29   -0.18  -0.16  
1 1 1 38 5  20 o 4.2975  0.4782 4.6877  6.4000    0.26   0.04   0.02   0.00   
1 1 1 38 5  21 o 6.6573  0.6005 ?       ?         -0.46  0.28   0.01   0.00   
1 1 1 38 5  22 o 9.2459  1.2934 ?       ?         1.43   1.41   -0.04  -0.02  
1 1 1 38 5  23 o 5.7450  1.9426 ?       ?         0.29   -0.43  -0.00  0.00   
1 1 1 38 5  24 f 5.4129  1.4442 ?       ?         0.12   1.86   0.00   0.00   
1 1 1 38 6  0  o 16.447  0.1685 22.476  179.900   -0.61  0.00   0.00   0.00   
1 1 1 38 6  1  f 18.689  0.6365 14.614  -87.7000  -3.98  -8.83  1.09   -0.99  
1 1 1 38 6  2  o 21.479  0.1298 17.884  -124.4000 -0.16  0.19   0.03   0.02   
1 1 1 38 6  3  o 4.6157  0.4914 3.6967  175.400   -2.33  -0.33  -0.26  -0.05  
1 1 1 38 6  4  o 24.594  0.3811 25.545  -35.2000  9.53   1.33   -3.16  -1.87  
1 1 1 38 6  5  o 11.253  0.2552 13.056  0.9000    2.55   -7.09  3.71   2.14   
1 1 1 38 6  6  o 14.858  0.1456 15.591  -19.2000  1.44   -1.10  0.17   0.92   
1 1 1 38 6  7  o 1.8283  0.8589 2.0934  25.500    0.27   0.57   0.07   -0.07  
1 1 1 38 6  8  o 21.811  0.5240 21.935  -54.3000  2.53   -7.89  1.43   0.56   
1 1 1 38 6  9  o 5.9229  0.2637 3.3375  -141.7000 -0.85  0.38   -0.13  0.07   
1 1 1 38 6  10 o 11.476  0.1575 12.750  -92.5000  -0.95  -0.51  -0.76  0.05   
1 1 1 38 6  11 o 7.0931  0.2675 6.8057  167.200   0.44   -0.83  0.02   0.14   
1 1 1 38 6  12 o 8.4012  0.2142 6.8494  64.800    -0.17  0.34   -0.15  0.10   
1 1 1 38 6  13 o 3.6056  0.9388 2.0192  -156.9000 1.43   -0.43  -0.10  0.04   
1 1 1 38 6  14 o 9.6858  0.1975 9.0232  -49.7000  -0.89  -0.35  0.00   -0.23  
1 1 1 38 6  15 o 12.033  0.1872 12.714  -163.0000 -0.97  -0.25  0.41   -0.21  
1 1 1 38 6  16 o 10.275  0.2130 9.9174  150.900   0.34   0.42   0.07   0.00   
1 1 1 38 6  17 o 8.3655  0.2701 8.8789  -162.3000 -0.86  0.62   -0.21  -0.34  
1 1 1 38 6  18 o 5.5638  0.3727 4.9441  100.500   0.09   0.34   0.01   0.03   
1 1 1 38 6  19 o 5.8512  0.5526 6.4237  -114.8000 0.23   -0.36  0.01   0.00   
1 1 1 38 6  20 o 3.7595  0.5391 ?       ?         -0.39  0.01   0.02   -0.03  
1 1 1 38 6  21 o 3.3087  0.6467 ?       ?         -0.01  0.12   -0.00  -0.00  
1 1 1 38 6  22 o 2.8110  0.8951 ?       ?         0.26   -0.03  0.00   -0.00  
1 1 1 38 6  23 o 4.4031  2.0314 ?       ?         0.40   0.35   0.01   0.00   
1 1 1 38 6  24 o 7.1204  1.2040 ?       ?         -0.67  -0.48  0.00   0.00   
1 1 1 38 7  0  o 3.2094  0.4353 10.103  -179.9000 0.05   0.00   0.00   0.00   
1 1 1 38 7  1  o 22.719  0.1721 22.411  -97.0000  -1.77  0.60   -0.68  0.12   
1 1 1 38 7  2  o 18.951  0.1295 21.045  -77.3000  -2.74  -1.29  -4.90  -0.72  
1 1 1 38 7  3  o 17.153  0.3021 12.554  -107.3000 3.92   -2.35  -0.33  1.16   
1 1 1 38 7  4  o 12.612  0.5365 11.467  12.400    11.57  -4.24  -2.20  1.57   
1 1 1 38 7  5  o 13.197  0.2536 12.265  3.6000    1.69   2.56   0.15   -0.77  
1 1 1 38 7  6  o 1.7605  0.5337 2.4447  10.100    -0.13  -0.05  -0.04  -0.01  
1 1 1 38 7  7  o 11.249  0.1500 11.377  174.000   -1.01  0.21   -0.28  0.42   
1 1 1 38 7  8  o 11.573  0.2013 10.842  159.000   -3.15  -1.36  -0.71  -1.72  
1 1 1 38 7  9  o 11.984  0.1582 10.712  178.100   0.86   0.66   0.49   -0.61  
1 1 1 38 7  10 o 14.536  0.2540 15.276  51.300    -2.02  2.40   -0.28  0.89   
1 1 1 38 7  11 o 13.418  0.1623 15.555  134.100   -0.76  -0.00  -0.02  0.31   
1 1 1 38 7  12 o 7.1666  0.2545 4.4551  -4.1000   1.77   0.44   -0.31  -0.46  
1 1 1 38 7  13 o 9.3972  0.3786 10.583  -67.2000  -1.37  -2.32  0.06   -0.43  
1 1 1 38 7  14 o 13.126  0.3350 9.9888  109.700   2.05   0.43   -0.27  0.02   
1 1 1 38 7  15 o 6.8553  0.2678 6.3966  -60.6000  0.03   -0.19  -0.04  -0.02  
1 1 1 38 7  16 o 14.721  0.1974 14.205  -132.8000 -0.00  -1.34  0.07   -0.20  
1 1 1 38 7  17 o 4.3582  0.3898 5.5385  -19.8000  -0.01  -0.07  0.00   0.00   
1 1 1 38 7  18 o 3.0419  0.6011 3.3450  -113.7000 -0.13  -0.11  -0.01  -0.00  
1 1 1 38 7  19 o 5.7670  0.3875 5.6647  83.500    0.12   0.54   -0.03  0.07   
1 1 1 38 7  20 f 9.1510  0.2846 ?       ?         -0.03  0.45   -0.02  0.01   
1 1 1 38 7  21 o 2.6269  0.7370 ?       ?         -0.21  0.28   -0.01  -0.02  
1 1 1 38 7  22 o 5.5115  0.7141 ?       ?         0.22   0.79   -0.00  0.02   
1 1 1 38 7  23 o 3.7941  1.7871 ?       ?         0.62   -0.10  0.01   0.00   
1 1 1 38 8  0  o 13.138  0.2098 17.446  0.0000    0.20   0.00   0.00   0.00   
1 1 1 38 8  1  o 17.127  0.2608 13.532  -134.0000 -1.18  -3.89  1.31   -0.44  
1 1 1 38 8  2  o 5.3572  0.2470 4.4827  -126.7000 -2.90  -1.79  -1.00  -1.44  
1 1 1 38 8  3  o 12.982  0.1304 12.550  -115.5000 -2.24  -0.34  -1.58  0.11   
1 1 1 38 8  4  o 10.038  0.2223 8.6656  -158.7000 -0.56  -0.85  0.02   -0.11  
1 1 1 38 8  5  o 23.568  0.1607 16.975  15.900    2.26   -1.62  1.20   2.21   
1 1 1 38 8  6  o 19.388  0.2269 19.597  129.800   -1.09  1.65   0.37   0.30   
1 1 1 38 8  7  o 18.492  0.1373 18.892  -154.0000 -0.27  -0.26  0.14   0.27   
1 1 1 38 8  8  o 7.3638  0.1998 8.0340  -89.9000  0.11   -0.39  0.05   0.14   
1 1 1 38 8  9  o 19.074  0.3159 17.697  -128.3000 -0.74  -3.47  0.64   -0.03  
1 1 1 38 8  10 o 12.148  0.1560 13.165  69.500    -0.12  0.67   -0.35  -0.85  
1 1 1 38 8  11 o 6.4249  0.3083 7.6528  -79.0000  0.26   -0.12  -0.00  0.01   
1 1 1 38 8  12 o 6.5239  0.2507 6.2199  -38.9000  -0.02  -0.11  0.01   0.00   
1 1 1 38 8  13 f 11.744  0.4055 12.190  -88.6000  2.12   -0.67  -0.20  0.06   
1 1 1 38 8  14 o 3.8429  0.4312 5.2953  -107.0000 0.33   0.26   0.04   -0.06  
1 1 1 38 8  15 f 5.7492  0.3274 4.8556  26.200    0.58   0.19   -0.13  0.13   
1 1 1 38 8  16 o 9.6607  0.2273 9.5999  86.200    0.44   0.56   -0.12  0.25   
1 1 1 38 8  17 f 5.9273  0.3337 3.2155  -163.9000 -0.38  -1.21  0.19   0.07   
1 1 1 38 8  18 o 8.0386  0.6611 7.7731  14.700    0.35   0.08   -0.00  -0.00  
1 1 1 38 8  19 o 11.992  0.2207 12.128  -68.0000  -0.65  -1.70  0.16   0.22   
1 1 1 38 8  20 o 3.4908  0.6107 ?       ?         0.12   -0.05  0.00   -0.00  
1 1 1 38 8  21 o 7.4862  0.4848 ?       ?         -0.21  -0.55  -0.01  -0.01  
1 1 1 38 8  22 o 5.1563  0.6040 ?       ?         0.16   0.21   -0.00  0.00   
1 1 1 38 8  23 o 6.4864  0.7276 ?       ?         0.87   -0.78  0.01   -0.01  
1 1 1 38 9  0  o 5.4589  0.2785 6.3901  0.2000    0.04   0.00   0.00   0.00   
1 1 1 38 9  1  o 22.076  0.2792 23.604  44.700    2.43   0.18   -0.42  0.07   
1 1 1 38 9  2  o 22.249  0.1285 23.486  68.000    0.73   0.14   -0.26  0.86   
1 1 1 38 9  3  o 21.654  0.3888 19.718  161.300   -7.37  3.28   -1.87  1.35   
1 1 1 38 9  4  o 22.871  0.4274 17.519  32.700    10.87  0.57   -3.49  -1.25  
1 1 1 38 9  5  o 3.9623  0.2864 1.0447  86.600    -0.78  0.05   -0.58  0.36   
1 1 1 38 9  6  o 9.5412  0.1580 10.892  95.400    -0.02  0.40   0.18   -0.22  
1 1 1 38 9  7  o 13.921  0.1787 13.719  -164.8000 0.90   -2.61  0.51   2.40   
1 1 1 38 9  8  o 24.482  0.1512 22.010  73.800    -0.34  0.06   0.12   -0.03  
1 1 1 38 9  9  o 7.3458  0.2875 7.8368  -57.7000  1.58   -0.10  -0.24  0.10   
1 1 1 38 9  10 o 6.4897  0.2423 7.0332  -30.1000  1.17   0.67   -0.04  -0.34  
1 1 1 38 9  11 o 6.6296  0.2621 4.4620  -115.7000 -0.47  0.45   0.09   0.11   
1 1 1 38 9  12 o 12.978  0.3515 12.214  79.800    -1.09  0.49   -0.08  0.03   
1 1 1 38 9  13 o 11.613  0.1753 10.289  50.200    0.64   1.82   0.74   0.06   
1 1 1 38 9  14 o 6.1283  0.2864 6.1904  34.900    0.00   0.38   -0.01  -0.11  
1 1 1 38 9  15 o 16.602  0.1734 14.431  -35.2000  1.06   0.55   0.21   0.41   
1 1 1 38 9  16 o 5.0504  0.3775 5.1847  -176.0000 -0.25  0.45   -0.18  -0.09  
1 1 1 38 9  17 f 10.056  0.2237 7.4011  -41.9000  0.01   0.42   -0.05  0.03   
1 1 1 38 9  18 o 8.7739  0.2679 8.2975  -149.3000 -0.45  -0.27  0.01   0.07   
1 1 1 38 9  19 o 4.7977  0.4422 4.0277  -60.3000  -0.63  -0.73  -0.08  -0.04  
1 1 1 38 9  20 f 7.9117  0.3327 ?       ?         0.99   0.94   -0.11  0.14   
1 1 1 38 9  21 o 2.3135  0.8659 ?       ?         -0.23  -0.32  -0.01  0.02   
1 1 1 38 9  22 o 6.6841  0.4917 ?       ?         0.34   -0.73  -0.02  -0.02  
1 1 1 38 9  23 o 3.7397  1.0448 ?       ?         0.05   -0.08  0.00   -0.00  
1 1 1 38 10 0  o 22.477  0.1875 26.440  0.0000    0.36   0.00   0.00   0.00   
1 1 1 38 10 1  o 8.9225  0.4364 9.3066  -16.1000  0.70   -5.48  0.88   0.15   
1 1 1 38 10 2  o 21.189  0.6305 25.193  11.700    14.17  -2.09  -2.55  1.14   
1 1 1 38 10 3  o 13.039  0.3558 16.990  -49.2000  8.97   -4.25  -2.80  2.57   
1 1 1 38 10 4  o 16.437  0.1647 11.421  -178.2000 0.32   0.76   0.34   2.12   
1 1 1 38 10 5  o 26.021  0.2094 24.421  -154.0000 -0.88  -3.72  1.71   0.10   
1 1 1 38 10 6  o 10.661  0.1500 9.3187  149.000   -0.17  0.18   -0.23  -0.26  
1 1 1 38 10 7  o 17.289  0.5116 16.542  7.3000    9.24   -1.88  -1.66  1.14   
1 1 1 38 10 8  o 24.244  0.1880 23.697  142.100   -0.46  2.94   1.01   -0.53  
1 1 1 38 10 9  f 10.359  0.2316 3.4937  15.600    -1.19  -1.92  0.49   -0.41  
1 1 1 38 10 10 f 7.6876  0.2210 8.4414  135.000   -0.78  0.65   0.07   0.19   
1 1 1 38 10 11 o 19.484  0.1421 18.739  8.3000    -0.22  0.70   -0.04  0.12   
1 1 1 38 10 12 o 6.8824  0.2782 6.4161  -135.6000 0.66   -2.52  0.52   0.78   
1 1 1 38 10 13 o 12.661  0.2759 11.399  -15.0000  3.21   -2.13  0.14   1.23   
1 1 1 38 10 14 o 6.9710  0.4767 4.9640  43.800    -0.79  1.46   0.02   0.17   
1 1 1 38 10 15 o 7.0460  0.2771 7.7553  -145.8000 -0.08  -0.38  -0.11  0.05   
1 1 1 38 10 16 o 2.1758  1.0240 1.6535  60.500    -0.50  -0.22  -0.01  -0.05  
1 1 1 38 10 17 o 9.5640  0.2785 9.6805  -4.5000   -0.18  0.08   -0.00  -0.00  
1 1 1 38 10 18 o 1.4992  0.8693 1.1701  161.300   0.10   0.02   -0.00  0.00   
1 1 1 38 10 19 o 8.1552  0.2997 8.4933  -37.0000  -0.06  -0.43  -0.03  -0.01  
1 1 1 38 10 20 o 4.0978  1.3032 ?       ?         0.86   1.49   0.13   -0.04  
1 1 1 38 10 21 o 3.0275  0.7619 ?       ?         0.08   -0.14  -0.00  -0.00  
1 1 1 38 10 22 o 2.5751  1.2417 ?       ?         -0.03  0.15   -0.00  0.00   
1 1 1 38 10 23 o 5.7355  0.7543 ?       ?         0.04   -1.07  -0.01  -0.01  
1 1 1 38 11 0  f 13.126  0.1988 10.212  -0.0000   -0.24  0.00   0.00   0.00   
1 1 1 38 11 1  o 25.897  0.4174 29.026  -81.3000  -8.72  -5.10  -2.24  -2.35  
1 1 1 38 11 2  o 30.737  0.1873 31.764  -43.2000  0.29   -1.51  0.32   -0.11  
1 1 1 38 11 3  o 7.4681  0.2798 6.9351  119.700   -3.04  2.22   -0.20  1.14   
1 1 1 38 11 4  o 20.712  0.1715 19.218  -25.8000  0.67   -0.87  0.45   0.22   
1 1 1 38 11 5  o 12.644  0.2165 11.551  46.700    1.95   1.05   -0.49  -0.39  
1 1 1 38 11 6  o 23.271  0.2064 23.245  129.700   -0.25  1.29   0.23   -0.06  
1 1 1 38 11 7  o 20.425  0.1373 19.889  118.600   -0.64  1.28   -2.63  0.07   
1 1 1 38 11 8  o 16.069  0.4191 14.883  -94.9000  -9.63  -3.74  -2.64  -1.45  
1 1 1 38 11 9  o 3.5038  0.5229 2.0476  -16.5000  0.76   -0.02  -0.05  0.02   
1 1 1 38 11 10 o 17.664  0.1466 17.808  -40.2000  0.67   -1.01  0.41   -0.09  
1 1 1 38 11 11 o 14.302  0.2670 15.508  58.200    -1.14  3.37   0.38   1.02   
1 1 1 38 11 12 o 4.1501  0.3490 6.6283  99.100    -0.06  0.34   -0.01  0.14   
1 1 1 38 11 13 o 8.0704  0.2327 8.0310  -140.0000 0.28   -0.38  -0.07  0.07   
1 1 1 38 11 14 o 4.0716  0.4302 3.7660  133.900   0.71   -0.30  -0.07  0.02   
1 1 1 38 11 15 o 4.4805  0.3780 3.7808  -112.0000 0.05   -0.14  0.01   -0.00  
1 1 1 38 11 16 f 9.7133  0.3017 10.479  154.400   1.89   0.83   -0.41  0.11   
1 1 1 38 11 17 o 5.9622  0.4082 5.0474  73.400    -0.35  0.77   -0.01  0.07   
1 1 1 38 11 18 o 4.7414  0.4058 4.8441  151.900   0.11   0.57   -0.05  -0.07  
1 1 1 38 11 19 o 11.446  0.2485 12.845  57.400    -0.65  -0.63  -0.07  0.05   
1 1 1 38 11 20 o 3.0859  0.7009 ?       ?         -0.25  0.41   0.03   -0.02  
1 1 1 38 11 21 f 3.1093  0.7897 ?       ?         0.19   -0.44  -0.02  -0.02  
1 1 1 38 11 22 f 2.5019  1.1854 ?       ?         0.16   0.02   0.00   -0.00  
1 1 1 38 11 23 o 4.6975  0.8771 ?       ?         0.17   0.42   -0.00  0.00   
1 1 1 38 12 0  o 10.483  0.1782 7.5010  0.3000    0.21   0.00   0.00   0.00   
1 1 1 38 12 1  o 21.183  0.3321 20.561  -75.9000  -7.67  0.42   -2.59  1.03   
1 1 1 38 12 2  o 11.461  0.1797 14.110  108.000   2.50   1.19   -0.86  -0.66  
1 1 1 38 12 3  f 21.121  0.4624 19.382  53.400    9.80   2.30   -2.15  -0.63  
1 1 1 38 12 4  o 6.4009  0.2042 4.9382  33.000    0.09   -0.37  0.02   0.02   
1 1 1 38 12 5  o 10.839  0.3324 14.694  163.700   -2.86  1.89   -0.14  0.69   
1 1 1 38 12 6  o 8.8999  0.3485 10.631  32.300    2.09   1.42   -0.07  -0.37  
1 1 1 38 12 7  o 7.2956  0.1994 7.5862  158.600   -1.51  0.08   -0.65  -0.18  
1 1 1 38 12 8  o 16.151  0.1557 15.456  173.500   -2.33  -0.20  -0.73  -0.85  
1 1 1 38 12 9  o 9.5147  0.3587 8.0652  -122.2000 -0.72  -1.22  0.08   -0.08  
1 1 1 38 12 10 o 18.546  0.1454 19.434  -90.0000  0.25   -0.96  -0.59  -0.15  
1 1 1 38 12 11 o 8.7919  0.3139 9.7829  103.400   -3.32  -0.23  -0.95  0.27   
1 1 1 38 12 12 o 6.0062  0.2596 6.5533  66.700    0.38   0.30   0.06   -0.09  
1 1 1 38 12 13 o 11.382  0.1857 10.765  84.700    -0.20  0.59   -0.17  0.17   
1 1 1 38 12 14 o 3.5540  0.6945 5.0977  47.400    0.87   0.16   -0.07  0.00   
1 1 1 38 12 15 o 3.2988  0.4862 1.3020  133.200   0.15   0.43   0.08   0.05   
1 1 1 38 12 16 o 7.8519  0.2609 7.0485  38.300    0.37   1.18   0.19   0.11   
1 1 1 38 12 17 o 11.988  0.3319 12.057  57.900    0.30   2.57   0.25   0.35   
1 1 1 38 12 18 o 7.8396  0.3355 6.4463  -174.1000 -0.97  -0.45  -0.09  0.04   
1 1 1 38 12 19 o 2.2081  0.7091 1.9936  49.100    0.07   -0.27  -0.04  -0.01  
1 1 1 38 12 20 o 6.1086  0.4409 ?       ?         -0.38  0.39   0.02   -0.02  
1 1 1 38 12 21 o 3.2493  1.5438 ?       ?         -0.15  0.07   -0.00  -0.00  
1 1 1 38 12 22 o 3.0518  0.8870 ?       ?         -0.04  0.34   -0.01  -0.01  
1 1 1 38 12 23 o 4.6987  0.8291 ?       ?         0.11   0.17   -0.00  0.00   
1 1 1 38 13 0  o 9.7263  0.1866 10.665  -0.2000   -0.09  0.00   0.00   0.00   
1 1 1 38 13 1  o 11.750  0.1188 13.223  4.2000    0.56   0.48   0.73   -0.78  
1 1 1 38 13 2  o 22.769  0.3325 23.435  -70.1000  -1.91  -3.12  0.12   -0.58  
1 1 1 38 13 3  o 6.7722  0.2974 3.7082  -12.8000  2.90   0.05   -0.64  -0.10  
1 1 1 38 13 4  o 10.493  0.1555 11.996  10.300    0.77   0.24   -0.20  -0.03  
1 1 1 38 13 5  o 27.033  0.1422 30.653  -21.0000  1.11   -1.51  1.24   -0.06  
1 1 1 38 13 6  o 2.3948  0.4439 1.9386  -150.1000 -0.20  -0.11  0.09   -0.19  
1 1 1 38 13 7  o 4.8962  0.7612 4.1840  -5.0000   2.44   -0.15  -0.14  0.03   
1 1 1 38 13 8  o 29.349  0.1585 26.662  -30.6000  2.20   -1.73  2.81   -0.72  
1 1 1 38 13 9  f 12.663  0.3622 7.9466  -135.4000 1.21   -3.48  0.36   0.52   
1 1 1 38 13 10 o 12.107  0.1676 13.195  -19.0000  1.37   0.02   -0.28  -0.56  
1 1 1 38 13 11 o 10.760  0.1803 8.5752  -53.6000  0.70   0.04   0.24   -0.40  
1 1 1 38 13 12 o 3.0788  0.5253 5.6364  -131.9000 -0.27  -0.45  0.03   -0.03  
1 1 1 38 13 13 o 5.7259  0.3067 5.9395  -140.8000 -0.27  0.36   0.21   -0.22  
1 1 1 38 13 14 o 10.074  0.2356 10.943  145.100   -0.42  0.81   -0.03  0.11   
1 1 1 38 13 15 o 2.6367  0.5669 1.3518  115.800   -0.14  0.15   0.03   0.00   
1 1 1 38 13 16 o 10.079  0.2480 10.726  80.300    -1.29  -0.07  -0.08  0.19   
1 1 1 38 13 17 o 6.6810  0.3039 8.0105  -87.8000  0.23   -0.60  0.05   -0.09  
1 1 1 38 13 18 o 6.0215  0.3495 5.3991  46.900    -0.02  -0.35  0.00   0.01   
1 1 1 38 13 19 o 2.8388  0.6666 2.8260  -62.8000  -0.18  0.37   0.03   -0.02  
1 1 1 38 13 20 o 4.4648  0.6701 ?       ?         0.18   0.05   0.00   -0.00  
1 1 1 38 13 21 o 5.1519  0.5896 ?       ?         0.57   -0.26  0.01   -0.02  
1 1 1 38 13 22 o 2.6084  0.9661 ?       ?         0.23   0.12   0.00   0.00   
1 1 1 38 13 23 f 4.0703  1.0067 ?       ?         -0.54  -0.32  0.00   0.01   
1 1 1 38 14 0  o 15.172  0.1727 20.991  -179.9000 -0.37  0.00   0.00   0.00   
1 1 1 38 14 1  o 18.021  0.1263 17.067  55.000    -0.74  -0.23  2.27   0.45   
1 1 1 38 14 2  o 14.922  0.2708 15.980  -43.8000  5.66   1.37   -2.12  -0.56  
1 1 1 38 14 3  o 18.170  0.1235 19.922  121.500   -0.78  0.93   -2.44  -1.14  
1 1 1 38 14 4  o 14.864  0.1258 13.959  6.6000    -0.44  0.02   0.68   0.00   
1 1 1 38 14 5  o 9.5263  0.2925 9.4266  -108.3000 -0.10  -0.96  0.06   -0.03  
1 1 1 38 14 6  o 3.2112  0.4699 3.1940  -111.9000 0.77   0.40   -0.03  -0.07  
1 1 1 38 14 7  o 24.994  0.1566 24.411  -136.2000 -1.46  -0.51  -0.39  0.13   
1 1 1 38 14 8  o 8.6704  0.2759 6.8704  89.100    1.23   2.82   0.90   -0.45  
1 1 1 38 14 9  o 8.6003  0.1881 8.4015  -119.8000 -0.29  -0.81  -0.54  -0.63  
1 1 1 38 14 10 o 10.604  0.1733 10.146  -121.7000 0.18   -0.42  -0.13  -0.31  
1 1 1 38 14 11 o 5.6496  0.2803 5.6097  -76.6000  -0.13  -0.15  -0.01  -0.01  
1 1 1 38 14 12 o 10.295  0.4438 10.943  78.400    -2.12  3.08   0.04   0.50   
1 1 1 38 14 13 o 6.9571  0.2576 6.6457  67.600    -0.21  -0.52  -0.14  0.32   
1 1 1 38 14 14 o 16.085  0.1658 15.387  -178.8000 -2.45  -0.91  0.68   -0.84  
1 1 1 38 14 15 o 6.0428  0.5375 6.1692  70.400    0.75   -0.53  -0.03  0.03   
1 1 1 38 14 16 o 6.9346  0.2982 8.0625  73.700    -0.61  -0.89  0.20   0.02   
1 1 1 38 14 17 o 8.7128  0.2623 8.9772  84.200    1.26   1.39   -0.55  0.01   
1 1 1 38 14 18 o 7.0663  0.5541 6.2645  -27.8000  1.19   -0.44  0.01   0.08   
1 1 1 38 14 19 o 12.641  0.2378 14.274  0.6000    1.29   -0.43  0.17   -0.04  
1 1 1 38 14 20 o 5.1701  0.5434 ?       ?         -0.05  -0.09  0.00   0.00   
1 1 1 38 14 21 o 5.7584  1.3480 ?       ?         -0.02  0.17   0.00   0.00   
1 1 1 38 14 22 o 12.005  0.4358 ?       ?         3.78   1.54   0.27   -0.07  
1 1 1 38 14 23 o 3.0621  1.4470 ?       ?         -0.26  0.59   -0.01  -0.00  
1 1 1 38 15 0  o 11.292  0.1744 7.5888  179.900   0.20   0.00   0.00   0.00   
1 1 1 38 15 1  o 24.285  0.2783 20.790  136.200   -5.96  0.27   -2.44  -1.08  
1 1 1 38 15 2  o 19.368  0.4200 18.613  -50.4000  0.18   -1.95  0.12   -0.01  
1 1 1 38 15 3  o 7.0900  0.1741 5.6712  65.700    -0.38  0.22   0.05   0.26   
1 1 1 38 15 4  o 17.750  0.1283 16.765  90.300    0.91   0.75   -0.84  -0.25  
1 1 1 38 15 5  o 5.3552  0.2329 3.4174  57.800    0.11   -0.17  -0.03  0.06   
1 1 1 38 15 6  o 19.692  0.3611 19.442  174.700   -5.90  0.58   -1.14  0.71   
1 1 1 38 15 7  o 4.6313  0.8758 5.5127  -9.8000   1.84   4.33   0.41   -0.35  
1 1 1 38 15 8  o 11.980  0.2541 11.336  153.200   -4.74  -0.97  -1.48  -1.55  
1 1 1 38 15 9  o 2.7589  0.4461 1.8996  -38.9000  0.14   0.08   0.01   -0.02  
1 1 1 38 15 10 o 18.493  0.1486 17.631  110.200   -1.02  0.38   -0.24  -0.22  
1 1 1 38 15 11 o 5.9228  0.2895 5.9299  10.800    -0.20  -0.03  0.03   0.07   
1 1 1 38 15 12 o 7.1068  0.3120 5.8243  -57.3000  -1.05  -1.21  -0.11  -0.27  
1 1 1 38 15 13 f 7.7649  0.4874 6.7991  123.700   1.45   -0.95  -0.12  0.10   
1 1 1 38 15 14 o 4.2292  0.3855 4.1902  131.400   0.00   0.66   0.05   -0.05  
1 1 1 38 15 15 o 5.4694  0.3418 5.1273  -151.0000 -0.44  -0.18  0.14   -0.01  
1 1 1 38 15 16 o 3.8205  0.4534 2.4812  -40.0000  0.26   -0.27  -0.03  0.01   
1 1 1 38 15 17 o 9.5637  0.2473 10.481  -166.7000 -0.44  -0.97  -0.04  0.22   
1 1 1 38 15 18 o 6.1563  0.3567 5.5123  -85.7000  0.27   -0.32  -0.02  -0.01  
1 1 1 38 15 19 o 3.6898  0.5583 ?       ?         -0.19  0.71   -0.06  -0.06  
1 1 1 38 15 20 o 7.9181  0.8787 ?       ?         0.56   0.86   0.02   0.01   
1 1 1 38 15 21 o 3.4235  0.7361 ?       ?         0.11   0.58   -0.02  0.01   
1 1 1 38 15 22 o 4.7907  0.6862 ?       ?         0.77   0.40   0.01   0.02   
1 1 1 38 15 23 o 5.2074  0.6661 ?       ?         0.54   0.48   -0.00  0.00   
1 1 1 38 16 0  o 12.665  0.1906 14.366  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 38 16 1  o 13.636  0.5763 16.143  141.700   -7.65  -2.84  -0.85  -1.00  
1 1 1 38 16 2  o 5.8245  0.1869 4.5677  -38.8000  1.25   0.32   -0.82  -1.26  
1 1 1 38 16 3  o 10.231  0.2323 9.9991  -30.4000  1.93   -1.67  0.09   0.74   
1 1 1 38 16 4  o 10.125  0.1475 8.6015  -106.2000 -0.11  -0.41  0.03   -0.19  
1 1 1 38 16 5  o 21.259  0.3536 23.555  53.300    4.18   1.38   -0.48  -0.77  
1 1 1 38 16 6  o 8.3404  0.1626 8.6156  98.400    -0.11  -0.37  0.21   0.13   
1 1 1 38 16 7  o 5.0331  0.4324 5.0994  -115.9000 -3.29  -1.83  -0.67  -0.69  
1 1 1 38 16 8  o 11.118  0.1586 9.6686  75.800    0.84   0.52   0.10   -0.32  
1 1 1 38 16 9  o 7.9086  0.2281 6.3625  -104.2000 2.05   -2.29  1.12   1.32   
1 1 1 38 16 10 o 21.397  0.1637 19.793  -51.0000  -0.32  0.71   -0.02  -0.24  
1 1 1 38 16 11 o 5.0481  0.2937 3.3258  -92.8000  0.18   0.15   -0.08  0.01   
1 1 1 38 16 12 o 8.7196  0.2146 9.7643  -63.0000  0.21   -0.55  0.09   -0.02  
1 1 1 38 16 13 o 3.1392  0.7720 4.3324  170.000   -0.16  0.97   0.11   -0.01  
1 1 1 38 16 14 o 9.1229  0.2442 8.1081  17.600    0.66   0.00   -0.03  0.05   
1 1 1 38 16 15 o 16.179  0.1736 15.560  122.100   -1.51  -0.30  0.36   -0.27  
1 1 1 38 16 16 o 6.5992  0.3012 5.3509  139.800   -0.61  0.35   -0.10  -0.09  
1 1 1 38 16 17 f 3.4234  0.5253 2.4866  -134.2000 -0.45  -0.09  -0.02  0.05   
1 1 1 38 16 18 o 3.0790  0.6049 3.6429  23.000    0.22   -0.08  0.01   -0.01  
1 1 1 38 16 19 o 3.9945  0.5537 ?       ?         -0.19  -0.12  0.00   -0.00  
1 1 1 38 16 20 o 1.8398  0.9354 ?       ?         -0.08  0.15   -0.00  -0.00  
1 1 1 38 16 21 o 4.2895  0.7283 ?       ?         0.50   0.41   0.00   0.01   
1 1 1 38 16 22 o 4.2042  0.7987 ?       ?         -0.07  0.29   -0.00  -0.00  
1 1 1 38 16 23 o 6.4393  0.6632 ?       ?         1.28   -0.53  0.01   -0.01  
1 1 1 38 17 0  o 16.676  0.1662 19.745  -180.0000 0.34   0.00   0.00   0.00   
1 1 1 38 17 1  o 13.337  0.2693 11.244  -41.4000  5.42   3.08   -2.25  -2.09  
1 1 1 38 17 2  o 13.737  0.2670 11.219  -61.7000  4.38   -1.23  -0.97  1.06   
1 1 1 38 17 3  o 9.2648  0.2136 9.1185  8.9000    2.88   -1.49  -0.44  1.19   
1 1 1 38 17 4  o 23.071  0.1354 20.923  -110.3000 -1.43  -1.14  -1.07  -0.24  
1 1 1 38 17 5  o 9.5811  0.2768 8.7349  -133.0000 -6.04  -3.58  -2.00  -2.27  
1 1 1 38 17 6  o 10.187  0.1732 10.457  38.900    0.72   0.77   0.08   -0.16  
1 1 1 38 17 7  o 6.2042  0.2158 6.7949  -89.9000  -0.78  -0.24  -0.98  1.18   
1 1 1 38 17 8  o 11.877  0.1569 11.931  53.900    0.97   1.72   -0.33  -0.90  
1 1 1 38 17 9  o 11.329  0.1626 10.377  -143.0000 1.37   -0.19  -0.51  -0.50  
1 1 1 38 17 10 o 14.254  0.1622 14.917  147.300   0.09   0.36   0.00   -0.03  
1 1 1 38 17 11 o 13.419  0.2291 11.227  -151.0000 -0.81  -0.94  0.12   -0.11  
1 1 1 38 17 12 o 11.228  0.2667 9.5444  -39.5000  1.04   -0.89  -0.13  0.13   
1 1 1 38 17 13 o 12.000  0.1950 12.699  -94.5000  0.00   -0.03  -0.00  0.00   
1 1 1 38 17 14 o 6.6928  0.2978 6.4208  -50.2000  -0.18  0.43   -0.06  0.05   
1 1 1 38 17 15 o 8.8888  0.3044 8.1817  -74.4000  -0.45  -0.14  0.00   -0.02  
1 1 1 38 17 16 o 4.3256  0.6331 4.0863  55.100    0.15   0.78   0.04   0.01   
1 1 1 38 17 17 o 5.5104  0.3590 4.9971  74.100    0.16   -0.18  0.01   -0.01  
1 1 1 38 17 18 o 3.6011  0.5763 5.1714  -8.3000   0.07   0.24   -0.01  -0.00  
1 1 1 38 17 19 o 1.6051  0.8681 ?       ?         0.06   0.16   -0.00  0.01   
1 1 1 38 17 20 f 9.8555  0.3459 ?       ?         -0.05  0.78   -0.02  -0.00  
1 1 1 38 17 21 o 3.0802  0.8816 ?       ?         -0.62  -0.05  0.03   0.00   
1 1 1 38 17 22 o 5.2198  0.6904 ?       ?         0.58   -0.64  -0.00  -0.01  
1 1 1 38 18 0  f 11.472  0.1760 9.1299  179.900   -0.32  0.00   0.00   0.00   
1 1 1 38 18 1  o 16.071  0.1132 17.249  -69.8000  0.31   -1.15  0.90   -0.68  
1 1 1 38 18 2  o 3.9497  0.2239 3.4846  -25.3000  0.07   0.06   0.00   0.18   
1 1 1 38 18 3  o 2.0571  0.5162 0.3461  31.300    -1.18  -0.91  -0.14  -0.36  
1 1 1 38 18 4  o 7.7517  0.3915 9.6005  -87.8000  1.05   -9.19  3.01   0.24   
1 1 1 38 18 5  o 6.1416  0.1940 3.8995  -71.1000  -0.56  -0.82  0.14   -0.16  
1 1 1 38 18 6  o 13.946  0.1415 14.880  -67.1000  0.02   0.18   -0.01  0.04   
1 1 1 38 18 7  f 17.590  0.2637 19.014  -55.4000  1.30   -5.98  2.72   -0.26  
1 1 1 38 18 8  o 6.3519  0.2192 5.2957  102.900   0.34   -0.10  -0.04  -0.00  
1 1 1 38 18 9  o 6.0898  0.2699 1.5029  -144.9000 -1.24  -0.71  -0.03  -0.29  
1 1 1 38 18 10 o 10.642  0.1710 10.062  -174.1000 0.10   -0.46  -0.26  -0.13  
1 1 1 38 18 11 o 3.5630  0.3912 3.7086  18.600    0.26   0.43   0.00   -0.05  
1 1 1 38 18 12 o 10.876  0.4754 9.9180  48.200    -1.93  6.21   1.61   0.19   
1 1 1 38 18 13 o 10.171  0.2062 12.188  -52.7000  0.59   -0.38  0.21   -0.17  
1 1 1 38 18 14 o 11.182  0.1917 10.289  143.100   0.36   0.33   0.07   0.05   
1 1 1 38 18 15 o 7.9179  0.2714 8.0068  166.200   -0.38  0.10   0.05   -0.03  
1 1 1 38 18 16 o 4.6260  0.4056 3.4680  -13.6000  0.49   0.38   0.04   0.15   
1 1 1 38 18 17 o 4.0273  0.4920 3.7596  87.000    0.25   -0.88  -0.02  0.09   
1 1 1 38 18 18 o 3.1187  0.6371 3.1987  -146.1000 -0.04  0.28   -0.01  -0.02  
1 1 1 38 18 19 f 8.2120  0.3661 ?       ?         0.25   -0.08  0.00   -0.00  
1 1 1 38 18 20 o 5.3703  0.5850 ?       ?         0.17   -0.31  -0.00  -0.00  
1 1 1 38 18 21 o 3.0384  0.8252 ?       ?         0.10   -0.04  0.00   -0.00  
1 1 1 38 18 22 o 6.5673  0.7894 ?       ?         -0.76  -0.08  0.00   0.01   
1 1 1 38 19 0  o 15.582  0.2058 18.319  -180.0000 0.07   0.00   0.00   0.00   
1 1 1 38 19 1  o 13.107  0.1608 14.728  -132.1000 -0.47  -0.54  -0.22  1.45   
1 1 1 38 19 2  o 20.978  0.1473 19.750  128.200   -0.93  1.26   1.29   -0.22  
1 1 1 38 19 3  o 6.9306  0.1822 6.4796  31.200    0.43   1.70   0.32   -0.30  
1 1 1 38 19 4  o 3.4677  0.2746 5.3397  -117.6000 -1.48  0.21   -0.33  0.18   
1 1 1 38 19 5  o 1.3780  0.5490 3.4524  154.700   0.26   0.14   -0.05  -0.03  
1 1 1 38 19 6  o 7.8793  0.2540 7.0304  -8.0000   1.48   -2.70  0.62   0.56   
1 1 1 38 19 7  o 15.104  0.3442 14.869  -118.0000 0.78   -3.36  0.36   0.52   
1 1 1 38 19 8  f 9.7421  0.2804 6.9462  50.500    2.61   -1.48  -0.63  0.43   
1 1 1 38 19 9  o 3.7588  0.4548 2.0248  9.4000    0.54   0.24   -0.01  -0.03  
1 1 1 38 19 10 f 8.7885  0.1882 9.6590  132.200   0.45   0.59   -0.16  -0.18  
1 1 1 38 19 11 o 11.890  0.1695 11.099  135.900   -1.03  0.75   -0.39  0.07   
1 1 1 38 19 12 o 6.5411  0.4288 7.1183  -29.9000  0.54   1.83   0.26   -0.02  
1 1 1 38 19 13 o 14.094  0.2812 14.905  -38.8000  2.28   0.86   0.11   -0.44  
1 1 1 38 19 14 o 2.7735  0.5614 2.1669  -47.5000  0.07   -0.12  -0.00  0.00   
1 1 1 38 19 15 o 3.6745  0.4630 2.7602  -92.9000  0.01   -0.55  -0.03  -0.10  
1 1 1 38 19 16 o 6.0987  0.3424 6.8481  86.200    1.16   1.12   -0.35  -0.05  
1 1 1 38 19 17 o 6.5707  0.3591 5.7707  12.400    0.72   0.16   0.07   0.08   
1 1 1 38 19 18 o 9.1351  0.3797 10.632  174.100   0.21   0.50   -0.01  -0.01  
1 1 1 38 19 19 o 0.0000  2.0076 ?       ?         -0.02  0.13   -0.00  0.00   
1 1 1 38 19 20 o 6.0662  0.5792 ?       ?         -0.17  0.67   -0.01  0.01   
1 1 1 38 19 21 o 3.9551  0.9867 ?       ?         -0.26  0.15   0.00   0.00   
1 1 1 38 19 22 o 2.4113  1.1954 ?       ?         -0.27  0.27   0.00   -0.01  
1 1 1 38 20 0  o 19.509  0.2180 19.521  -0.0000   0.46   0.00   0.00   0.00   
1 1 1 38 20 1  o 18.205  0.3398 16.175  -89.5000  5.97   -3.87  -1.59  1.52   
1 1 1 38 20 2  o 11.894  0.1535 13.187  -86.8000  0.22   0.17   -0.05  -0.01  
1 1 1 38 20 3  o 6.8933  0.1562 7.0353  170.900   -0.50  1.25   0.68   0.19   
1 1 1 38 20 4  o 5.2280  0.1778 1.3360  177.400   -0.36  -0.62  -0.03  -0.37  
1 1 1 38 20 5  o 3.7709  0.2473 0.8626  -156.0000 0.03   -0.38  0.07   -0.02  
1 1 1 38 20 6  o 11.971  0.1856 11.357  -34.0000  0.16   0.03   -0.00  -0.00  
1 1 1 38 20 7  o 4.8802  0.5547 6.0382  109.000   -4.78  -0.09  -0.95  -0.23  
1 1 1 38 20 8  o 9.9249  0.2218 8.6114  46.500    0.93   3.73   0.96   -1.63  
1 1 1 38 20 9  o 12.196  0.2133 11.526  67.600    -0.07  2.43   0.61   -0.52  
1 1 1 38 20 10 o 3.8194  0.3658 2.6135  57.000    0.13   0.92   0.14   0.03   
1 1 1 38 20 11 o 8.5379  0.2072 9.2136  -75.8000  -0.88  -0.47  -0.19  -0.04  
1 1 1 38 20 12 o 6.7178  0.2514 7.1609  -157.7000 -0.78  0.04   0.33   0.33   
1 1 1 38 20 13 o 7.5301  0.2478 7.7572  -171.0000 0.03   0.36   0.01   0.04   
1 1 1 38 20 14 o 11.802  0.2024 10.999  77.800    0.30   -0.71  -0.05  -0.12  
1 1 1 38 20 15 o 12.751  0.2093 13.391  43.500    1.22   0.98   0.33   0.16   
1 1 1 38 20 16 o 5.1419  0.3688 5.2517  -33.9000  0.67   -0.19  0.03   -0.14  
1 1 1 38 20 17 o 14.526  0.2222 14.111  42.400    2.79   0.97   0.61   0.02   
1 1 1 38 20 18 o 6.6918  0.3913 ?       ?         -0.47  -0.38  0.00   0.03   
1 1 1 38 20 19 o 8.6561  0.3903 ?       ?         0.65   -1.07  -0.04  -0.02  
1 1 1 38 20 20 o 5.2963  0.5853 ?       ?         0.13   -0.28  -0.00  0.00   
1 1 1 38 20 21 o 3.2620  0.8726 ?       ?         -0.02  0.18   -0.00  0.00   
1 1 1 38 20 22 o 4.0995  0.8089 ?       ?         -0.95  0.60   0.01   -0.01  
1 1 1 38 21 0  o 18.612  0.2361 18.857  180.000   -1.11  0.00   0.00   0.00   
1 1 1 38 21 1  o 7.1813  0.1977 6.6794  26.100    2.05   1.18   -0.09  -1.51  
1 1 1 38 21 2  o 6.3913  0.2253 5.8458  -30.8000  -0.01  -0.35  -0.63  -0.05  
1 1 1 38 21 3  o 7.7007  0.2016 8.1046  -136.0000 -0.58  -0.01  -0.08  -0.06  
1 1 1 38 21 4  o 8.7508  0.3730 9.5499  -117.8000 -3.32  -2.24  -0.39  -0.56  
1 1 1 38 21 5  o 18.234  0.1351 17.260  -92.3000  -0.31  -0.70  0.11   0.06   
1 1 1 38 21 6  o 8.0771  0.1575 7.2242  77.700    -0.35  0.87   -1.77  -0.16  
1 1 1 38 21 7  o 5.8532  0.2222 9.0057  -120.3000 -0.13  0.26   -0.02  0.06   
1 1 1 38 21 8  o 2.6140  0.4300 3.5513  -0.3000   0.21   -0.40  0.14   0.02   
1 1 1 38 21 9  o 5.0183  0.2830 2.4128  24.200    0.18   0.54   -0.06  -0.26  
1 1 1 38 21 10 o 11.963  0.1806 10.321  -24.9000  0.80   -0.06  -0.08  -0.07  
1 1 1 38 21 11 o 4.2809  0.3486 4.0167  -131.9000 0.19   0.13   -0.03  0.01   
1 1 1 38 21 12 o 4.5579  0.3437 5.8438  -178.0000 -0.18  -0.06  0.01   -0.01  
1 1 1 38 21 13 o 7.8121  0.3556 8.2598  177.800   -1.43  0.06   -0.11  -0.08  
1 1 1 38 21 14 o 6.4370  0.4627 5.9802  142.000   1.01   0.55   0.02   -0.09  
1 1 1 38 21 15 o 14.802  0.1824 15.853  -21.3000  1.93   0.37   0.46   0.12   
1 1 1 38 21 16 o 2.7361  1.2370 1.9907  -170.3000 0.14   -0.22  -0.01  0.01   
1 1 1 38 21 17 o 10.559  0.2727 11.236  95.400    1.21   0.09   0.12   -0.07  
1 1 1 38 21 18 o 3.5220  0.7684 ?       ?         -0.16  -0.15  0.00   0.00   
1 1 1 38 21 19 o 7.1426  0.4874 ?       ?         0.26   -1.14  -0.04  0.01   
1 1 1 38 21 20 f 3.4289  0.8382 ?       ?         0.39   -0.02  0.01   -0.00  
1 1 1 38 21 21 o 5.4176  0.7263 ?       ?         0.47   -1.57  0.01   -0.03  
1 1 1 38 21 22 o 3.8565  0.8318 ?       ?         -0.42  0.89   -0.01  -0.01  
1 1 1 38 22 0  o 1.0954  0.7751 2.5575  179.800   -0.01  0.00   0.00   0.00   
1 1 1 38 22 1  o 24.271  0.1603 24.490  -139.5000 -1.15  -1.27  0.65   0.11   
1 1 1 38 22 2  o 6.1324  0.4809 7.1595  84.700    0.40   1.60   0.08   -0.07  
1 1 1 38 22 3  o 10.848  0.1642 8.6227  -145.2000 -0.32  -0.62  0.28   0.05   
1 1 1 38 22 4  o 11.151  0.1442 9.3433  -20.0000  0.10   0.30   0.04   0.03   
1 1 1 38 22 5  o 10.020  0.2431 10.369  -147.6000 0.34   -0.97  0.04   0.11   
1 1 1 38 22 6  f 3.7964  0.8647 1.2468  33.000    1.77   -2.06  0.08   0.26   
1 1 1 38 22 7  o 13.828  0.1389 13.498  105.700   -0.48  1.47   0.70   -1.04  
1 1 1 38 22 8  o 9.1944  0.1600 8.1512  50.000    0.09   0.58   -0.00  0.38   
1 1 1 38 22 9  o 2.5103  0.4443 3.5475  -158.4000 -0.56  0.15   -0.06  0.16   
1 1 1 38 22 10 f 8.4775  0.1947 8.6220  159.900   0.22   -0.51  0.06   0.00   
1 1 1 38 22 11 o 11.185  0.1752 11.865  -135.4000 0.14   -0.10  -0.00  -0.02  
1 1 1 38 22 12 o 3.3567  0.4376 1.1972  148.600   0.30   -0.08  -0.02  -0.01  
1 1 1 38 22 13 o 1.7801  0.6436 1.3188  -103.2000 0.11   -0.03  0.01   0.01   
1 1 1 38 22 14 o 7.3316  0.2652 7.5289  -173.2000 -0.48  -0.62  -0.07  0.21   
1 1 1 38 22 15 o 4.3334  0.5107 3.6512  -13.9000  0.38   0.05   -0.00  -0.01  
1 1 1 38 22 16 o 8.7126  0.4122 8.0093  -168.7000 -1.90  0.13   -0.04  0.19   
1 1 1 38 22 17 o 7.7884  0.3399 7.3261  115.500   0.40   1.90   -0.42  0.05   
1 1 1 38 22 18 o 0.6966  0.9510 ?       ?         -0.01  -0.06  -0.00  0.00   
1 1 1 38 22 19 o 5.4149  1.2086 ?       ?         1.39   -0.68  -0.06  -0.01  
1 1 1 38 22 20 o 3.1548  0.8620 ?       ?         0.34   0.03   0.01   0.00   
1 1 1 38 22 21 f 6.2370  0.5780 ?       ?         -0.12  -1.87  -0.03  0.00   
1 1 1 38 23 0  o 9.2520  0.2164 13.070  -180.0000 -0.16  0.00   0.00   0.00   
1 1 1 38 23 1  o 15.546  0.2553 15.549  -6.8000   6.04   3.74   0.24   -3.88  
1 1 1 38 23 2  o 8.6113  0.4528 7.5881  5.1000    3.29   0.74   -0.27  -0.20  
1 1 1 38 23 3  o 11.675  0.2981 11.246  -73.2000  -0.22  -0.66  0.03   -0.01  
1 1 1 38 23 4  o 3.2133  0.3691 3.6736  -160.0000 0.55   -0.31  -0.01  0.07   
1 1 1 38 23 5  f 6.8229  0.2838 5.1656  177.900   -0.99  0.50   -0.09  0.06   
1 1 1 38 23 6  o 10.963  0.1233 10.714  59.700    -0.10  0.66   0.13   -0.24  
1 1 1 38 23 7  o 9.4247  0.1944 6.6459  115.900   -0.36  1.09   0.06   0.19   
1 1 1 38 23 8  o 10.554  0.1713 9.7012  88.600    2.42   0.94   -1.23  0.02   
1 1 1 38 23 9  o 13.230  0.1502 14.047  103.500   -0.43  0.56   -0.25  -0.25  
1 1 1 38 23 10 o 7.2828  0.2177 5.5055  -124.2000 0.61   0.33   0.31   -0.08  
1 1 1 38 23 11 o 9.8427  0.2628 9.9675  -49.7000  0.10   -1.60  0.19   -0.16  
1 1 1 38 23 12 o 9.8549  0.2095 10.195  -138.3000 0.17   -0.71  0.05   -0.10  
1 1 1 38 23 13 o 10.516  0.2005 11.243  126.100   -0.32  0.08   0.00   -0.02  
1 1 1 38 23 14 o 2.8533  0.5659 3.1184  122.500   -0.44  -0.09  -0.00  -0.04  
1 1 1 38 23 15 f 6.3790  0.2937 5.1740  107.300   -0.20  0.25   0.02   -0.01  
1 1 1 38 23 16 o 12.887  0.5253 13.995  169.600   -2.94  -0.50  -0.16  0.20   
1 1 1 38 23 17 o 5.7658  0.4210 5.5341  -3.2000   -0.21  -0.45  -0.02  0.02   
1 1 1 38 23 18 o 4.7997  0.8682 ?       ?         0.11   -0.56  -0.00  0.01   
1 1 1 38 23 19 o 5.3057  0.5760 ?       ?         -1.16  -0.19  0.05   0.01   
1 1 1 38 23 20 o 7.8605  0.4624 ?       ?         -0.09  0.40   -0.00  0.00   
1 1 1 38 23 21 o 6.9761  0.5668 ?       ?         1.11   -1.05  0.01   -0.02  
1 1 1 38 24 0  o 8.5088  0.1840 10.670  -180.0000 -0.18  0.00   0.00   0.00   
1 1 1 38 24 1  o 6.0933  0.1878 7.0576  82.400    -0.39  1.91   0.72   -0.03  
1 1 1 38 24 2  f 7.5212  0.1587 9.8814  154.900   -0.19  -1.20  0.23   -0.39  
1 1 1 38 24 3  o 6.5900  0.2581 6.5647  -8.0000   0.84   -0.46  -0.02  0.11   
1 1 1 38 24 4  o 9.1736  0.5272 9.1933  -10.9000  1.91   6.20   0.74   -0.88  
1 1 1 38 24 5  o 17.730  0.1417 17.475  -31.4000  -0.59  -1.82  -0.19  -0.67  
1 1 1 38 24 6  o 5.5276  0.5837 2.8998  -102.2000 3.44   -2.35  -0.25  0.39   
1 1 1 38 24 7  o 5.9673  0.5567 6.1504  -77.8000  -2.01  3.14   0.20   0.29   
1 1 1 38 24 8  o 10.193  0.1533 10.495  -100.3000 0.56   -0.66  -0.17  -1.14  
1 1 1 38 24 9  o 10.094  0.1961 9.3135  119.200   1.29   0.70   0.05   -0.31  
1 1 1 38 24 10 o 10.081  0.2380 10.061  135.200   -0.95  -0.06  -0.06  -0.10  
1 1 1 38 24 11 o 9.4497  0.1898 9.2184  -177.4000 0.37   -0.80  -0.27  -0.28  
1 1 1 38 24 12 o 7.6086  0.3722 8.2566  -10.8000  1.43   -2.04  0.35   0.19   
1 1 1 38 24 13 f 5.2913  0.3199 1.2249  -53.6000  -0.14  0.36   -0.06  -0.05  
1 1 1 38 24 14 f 8.0996  0.2461 9.7403  117.800   1.22   0.36   -0.10  0.21   
1 1 1 38 24 15 o 8.6518  0.2687 8.3772  154.400   0.13   -0.28  -0.01  0.00   
1 1 1 38 24 16 o 8.8534  0.3045 9.3368  110.500   -0.92  1.26   -0.18  -0.16  
1 1 1 38 24 17 o 3.7565  0.5345 ?       ?         -0.29  0.40   -0.02  -0.02  
1 1 1 38 24 18 o 5.2028  0.5790 ?       ?         -0.39  0.39   -0.00  -0.01  
1 1 1 38 24 19 f 2.8329  1.3307 ?       ?         -0.14  0.11   0.00   0.00   
1 1 1 38 24 20 o 5.6561  0.6059 ?       ?         -1.63  0.45   0.04   -0.02  
1 1 1 38 24 21 o 4.0021  1.0471 ?       ?         -0.10  0.29   -0.00  0.00   
1 1 1 38 25 0  o 4.8785  0.5822 4.9747  180.000   0.29   0.00   0.00   0.00   
1 1 1 38 25 1  o 9.1231  0.5523 12.521  53.000    2.98   2.44   -0.32  -0.47  
1 1 1 38 25 2  o 4.4697  0.2566 3.9165  131.000   -0.04  0.47   0.01   0.13   
1 1 1 38 25 3  o 4.0492  0.3450 3.3955  102.400   -0.24  0.44   -0.04  0.08   
1 1 1 38 25 4  o 12.679  0.2417 12.328  -54.4000  -0.25  0.57   0.00   0.04   
1 1 1 38 25 5  o 13.609  0.4428 11.109  5.5000    4.55   5.98   1.07   -1.31  
1 1 1 38 25 6  o 8.8488  0.1714 9.9159  -149.5000 -0.86  2.26   1.13   0.02   
1 1 1 38 25 7  o 21.205  0.2398 20.318  -60.3000  4.49   -2.84  -2.07  0.38   
1 1 1 38 25 8  o 12.300  0.1417 12.187  -156.6000 -0.92  0.45   0.31   -0.84  
1 1 1 38 25 9  o 7.0852  0.2091 7.8615  -137.5000 -0.22  -0.11  0.04   0.05   
1 1 1 38 25 10 o 5.6441  0.3107 4.6723  -145.7000 -1.86  -0.92  -0.46  -0.13  
1 1 1 38 25 11 o 4.7117  0.3302 4.0084  85.800    0.06   0.04   0.00   0.00   
1 1 1 38 25 12 o 3.5398  0.4234 3.7706  174.900   0.00   -0.00  -0.00  -0.00  
1 1 1 38 25 13 o 3.5516  0.4443 2.0850  170.000   0.35   0.07   0.01   -0.03  
1 1 1 38 25 14 o 12.972  0.2728 13.223  130.300   -2.39  1.69   -0.51  -0.14  
1 1 1 38 25 15 o 7.8727  0.3480 7.4622  -155.1000 1.15   0.28   -0.05  0.09   
1 1 1 38 25 16 o 3.1483  0.6154 2.4748  -43.8000  0.03   -0.57  -0.04  -0.04  
1 1 1 38 25 17 o 7.0736  0.3845 ?       ?         0.18   -0.27  -0.00  -0.01  
1 1 1 38 25 18 o 4.4229  0.6650 ?       ?         -0.23  0.41   -0.01  -0.00  
1 1 1 38 25 19 o 7.8596  0.4894 ?       ?         0.49   1.07   0.00   0.02   
1 1 1 38 25 20 o 4.3204  0.7487 ?       ?         -0.02  0.21   -0.00  -0.00  
1 1 1 38 25 21 o 4.8139  0.7345 ?       ?         0.03   0.10   -0.00  -0.00  
1 1 1 38 26 0  o 4.2895  0.7196 3.5801  180.000   -0.07  0.00   0.00   0.00   
1 1 1 38 26 1  o 13.092  0.2196 13.371  58.500    -0.08  0.81   -0.01  0.15   
1 1 1 38 26 2  o 13.233  0.4239 12.934  150.800   -2.16  0.97   -0.37  -0.02  
1 1 1 38 26 3  o 4.1957  0.4088 3.5613  -64.2000  0.53   -0.06  -0.04  -0.01  
1 1 1 38 26 4  o 14.591  0.1918 13.939  157.200   0.70   0.05   -0.02  -0.07  
1 1 1 38 26 5  o 10.528  0.2791 11.308  12.700    0.89   0.13   -0.06  0.01   
1 1 1 38 26 6  o 12.553  0.3783 11.448  -84.3000  -5.31  -3.29  -0.91  -0.87  
1 1 1 38 26 7  o 12.655  0.6580 13.878  44.700    4.81   8.66   0.84   -0.81  
1 1 1 38 26 8  o 7.3869  0.1766 5.5964  170.200   -0.48  -0.38  -0.11  -0.03  
1 1 1 38 26 9  o 7.3364  0.2025 8.1571  168.000   0.36   -0.34  0.10   0.02   
1 1 1 38 26 10 o 13.743  0.3094 11.921  -132.2000 1.89   -3.84  -0.28  0.97   
1 1 1 38 26 11 o 6.4916  0.2490 7.9528  -162.0000 -0.46  -0.40  0.16   0.08   
1 1 1 38 26 12 o 7.1633  0.2432 6.5299  171.400   0.08   0.27   -0.03  -0.01  
1 1 1 38 26 13 o 6.7602  0.2760 7.3781  -64.2000  0.16   -0.41  -0.05  -0.04  
1 1 1 38 26 14 o 8.5945  0.2495 9.0778  109.100   -0.54  1.07   -0.20  0.01   
1 1 1 38 26 15 o 4.8472  0.4414 3.9167  -113.6000 -0.39  -0.09  0.00   0.02   
1 1 1 38 26 16 o 6.2157  0.4023 6.7590  80.400    -0.35  1.41   -0.22  -0.05  
1 1 1 38 26 17 o 5.5020  0.5714 ?       ?         -0.14  0.01   0.00   -0.00  
1 1 1 38 26 18 o 3.1259  0.8371 ?       ?         0.16   -0.15  0.00   -0.00  
1 1 1 38 26 19 o 5.2158  0.8226 ?       ?         0.27   0.48   0.00   0.01   
1 1 1 38 26 20 o 6.6395  0.5513 ?       ?         0.58   0.53   0.00   0.00   
1 1 1 38 27 0  o 6.7157  0.4913 3.7130  -0.0000   0.24   0.00   0.00   0.00   
1 1 1 38 27 1  o 9.5872  0.2788 7.1310  37.200    -0.87  1.71   0.79   -0.32  
1 1 1 38 27 2  o 17.931  0.3439 17.985  -43.8000  -0.85  -1.29  -0.07  -0.12  
1 1 1 38 27 3  o 8.7772  0.6122 8.1304  -33.8000  -1.70  0.49   -0.06  0.10   
1 1 1 38 27 4  o 7.5472  0.2530 6.2978  5.6000    -0.61  1.31   -0.01  0.30   
1 1 1 38 27 5  o 18.896  0.1415 19.134  72.200    1.73   1.06   -0.83  0.65   
1 1 1 38 27 6  o 13.924  0.1683 14.499  -55.8000  0.69   -0.02  0.00   -0.12  
1 1 1 38 27 7  o 7.1519  0.3829 5.8602  -100.2000 0.45   -2.21  0.18   0.16   
1 1 1 38 27 8  o 1.6445  0.4852 2.2764  -79.1000  -0.33  -0.09  -0.11  0.24   
1 1 1 38 27 9  o 7.1431  0.4529 5.0508  34.500    2.29   0.30   -0.16  -0.13  
1 1 1 38 27 10 o 8.3640  0.1912 8.2526  167.800   -1.03  0.25   0.46   -0.42  
1 1 1 38 27 11 o 4.5193  0.4476 3.9891  176.500   -1.04  0.80   0.05   0.12   
1 1 1 38 27 12 o 5.2461  0.3201 6.2092  155.100   0.37   -0.29  -0.04  -0.00  
1 1 1 38 27 13 o 4.6345  0.3564 4.9970  69.200    -0.07  -0.96  -0.01  -0.16  
1 1 1 38 27 14 o 3.0083  0.6007 3.0014  -179.5000 -0.28  -0.09  -0.01  0.01   
1 1 1 38 27 15 o 3.3892  0.7591 4.1742  169.400   -0.28  -0.48  -0.02  -0.02  
1 1 1 38 27 16 o 3.3258  1.5178 ?       ?         -0.40  0.21   -0.01  -0.00  
1 1 1 38 27 17 o 0.0000  2.1381 ?       ?         0.03   0.04   -0.00  0.00   
1 1 1 38 27 18 o 3.8266  1.7302 ?       ?         0.31   -0.49  0.01   -0.01  
1 1 1 38 27 19 f 2.7357  0.9823 ?       ?         0.35   0.36   0.01   0.01   
1 1 1 38 27 20 o 1.9168  1.1725 ?       ?         0.67   -0.32  0.01   -0.01  
1 1 1 38 28 0  o 7.5498  0.4903 7.6640  -0.0000   0.39   0.00   0.00   0.00   
1 1 1 38 28 1  o 10.553  0.2637 10.431  -84.8000  -0.28  -1.33  -0.92  -0.05  
1 1 1 38 28 2  o 4.4399  0.4543 4.7538  -105.4000 -0.22  -0.08  -0.01  0.03   
1 1 1 38 28 3  f 5.3255  0.4457 5.9662  61.700    0.07   0.06   0.00   0.00   
1 1 1 38 28 4  o 10.271  0.4812 11.937  -31.1000  4.32   1.32   -0.37  -0.88  
1 1 1 38 28 5  o 6.7929  0.4652 6.4232  23.200    -0.55  0.23   -0.02  0.01   
1 1 1 38 28 6  o 6.1805  0.4462 5.4865  88.700    -0.22  0.03   -0.00  0.00   
1 1 1 38 28 7  o 10.285  0.4672 9.8332  68.600    -0.89  3.13   0.17   0.27   
1 1 1 38 28 8  o 7.2705  0.3366 7.5493  165.300   -4.65  -4.92  1.20   -2.12  
1 1 1 38 28 9  o 5.9366  0.2247 5.4127  75.200    0.04   0.97   -0.53  0.48   
1 1 1 38 28 10 o 3.9507  0.3428 3.9637  136.800   0.13   -0.22  0.02   -0.03  
1 1 1 38 28 11 o 6.2031  0.2498 6.8609  179.300   -0.40  0.20   0.07   0.01   
1 1 1 38 28 12 o 9.1365  0.2090 7.8801  -6.1000   -0.98  2.30   0.58   -0.48  
1 1 1 38 28 13 o 10.884  0.3231 11.568  168.200   -2.55  -0.30  -0.16  0.33   
1 1 1 38 28 14 o 2.5379  0.6184 2.3628  48.000    0.20   0.23   -0.01  -0.01  
1 1 1 38 28 15 o 5.6150  0.3907 4.8051  -131.2000 0.16   0.89   -0.10  0.00   
1 1 1 38 28 16 o 4.3090  0.5822 ?       ?         0.13   0.00   0.00   -0.00  
1 1 1 38 28 17 o 5.9403  0.5290 ?       ?         -0.10  -1.64  -0.08  0.01   
1 1 1 38 28 18 o 0.0000  2.1790 ?       ?         0.02   -0.24  -0.01  -0.00  
1 1 1 38 28 19 o 2.1685  1.0534 ?       ?         -0.08  -0.37  -0.00  0.00   
1 1 1 38 28 20 o 7.2605  0.6100 ?       ?         1.94   -1.09  0.01   -0.01  
1 1 1 38 29 0  o 3.6469  0.8302 0.9749  0.0000    -0.04  0.00   0.00   0.00   
1 1 1 38 29 1  f 9.5577  0.3584 8.0937  89.600    0.67   1.06   0.13   -0.04  
1 1 1 38 29 2  f 6.7082  0.3541 7.2020  -84.5000  0.16   -0.02  -0.00  -0.00  
1 1 1 38 29 3  o 3.0785  0.7621 4.5761  54.400    0.42   0.03   -0.02  -0.02  
1 1 1 38 29 4  o 12.442  0.5967 11.531  -40.5000  5.02   -2.91  -0.83  0.43   
1 1 1 38 29 5  o 5.8718  0.2246 5.4078  111.700   -0.17  -0.56  0.06   0.24   
1 1 1 38 29 6  o 10.615  0.2068 11.554  121.700   -0.37  0.68   0.01   -0.20  
1 1 1 38 29 7  o 14.943  0.2323 14.850  135.200   1.39   1.57   -0.25  -0.18  
1 1 1 38 29 8  o 3.0182  0.2992 2.6598  43.700    0.72   0.51   0.23   -0.24  
1 1 1 38 29 9  o 12.275  0.2718 10.617  36.700    -0.23  0.42   -0.01  0.01   
1 1 1 38 29 10 o 4.6074  0.3386 4.0000  -118.1000 0.36   -0.45  -0.02  0.03   
1 1 1 38 29 11 o 7.2564  0.2709 8.4770  36.000    0.09   0.30   -0.00  -0.01  
1 1 1 38 29 12 f 11.843  0.1788 11.472  46.000    -0.60  1.36   -0.29  -0.07  
1 1 1 38 29 13 o 3.7899  0.4665 2.9420  -54.7000  -0.39  0.13   -0.01  -0.01  
1 1 1 38 29 14 o 2.1279  0.6973 1.8381  157.600   0.03   -0.13  0.00   -0.00  
1 1 1 38 29 15 o 6.7529  0.5940 ?       ?         0.06   0.04   0.00   -0.00  
1 1 1 38 29 16 o 4.7892  0.5559 ?       ?         -0.01  1.24   -0.07  -0.03  
1 1 1 38 29 17 o 3.7998  0.6966 ?       ?         0.27   -0.15  0.00   -0.00  
1 1 1 38 29 18 o 4.1886  0.7232 ?       ?         -0.65  -0.36  0.00   0.02   
1 1 1 38 29 19 o 3.7019  0.8656 ?       ?         0.66   -0.49  0.01   -0.01  
1 1 1 38 29 20 o 4.5982  0.8943 ?       ?         0.07   0.47   0.00   0.00   
1 1 1 38 30 0  o 9.6488  0.3643 9.5434  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 38 30 1  o 4.3391  0.5226 4.0186  -102.3000 -0.24  0.29   0.04   -0.02  
1 1 1 38 30 2  o 2.4425  1.1456 2.7410  39.900    0.00   -0.48  0.03   0.02   
1 1 1 38 30 3  o 5.4135  0.4706 5.4050  117.400   -0.33  0.04   0.04   0.03   
1 1 1 38 30 4  o 9.9366  0.9694 12.459  -3.2000   3.47   -2.59  0.03   0.26   
1 1 1 38 30 5  o 6.4907  0.3570 7.1376  148.900   -0.00  0.24   -0.00  -0.02  
1 1 1 38 30 6  f 10.765  0.3007 10.055  -122.0000 1.07   -0.34  0.03   0.11   
1 1 1 38 30 7  o 3.2866  0.2802 4.0578  -17.3000  -0.19  0.07   0.01   0.02   
1 1 1 38 30 8  o 2.7917  0.3583 1.8435  -159.2000 -0.09  0.18   0.02   -0.03  
1 1 1 38 30 9  o 8.3654  0.3018 8.0954  57.500    0.99   -0.72  -0.06  0.05   
1 1 1 38 30 10 o 12.200  0.1583 12.106  -23.8000  1.08   0.25   0.20   -0.05  
1 1 1 38 30 11 o 14.888  0.1546 14.620  15.400    0.39   2.26   -0.23  0.54   
1 1 1 38 30 12 o 3.8348  0.4211 2.0189  176.000   -0.47  -0.32  0.06   -0.00  
1 1 1 38 30 13 o 3.5430  0.4828 2.5731  173.800   0.26   0.28   0.02   0.01   
1 1 1 38 30 14 o 2.9657  0.5853 1.7054  24.400    0.10   -0.22  0.00   -0.01  
1 1 1 38 30 15 o 4.1916  0.5019 ?       ?         0.10   -0.04  0.00   -0.00  
1 1 1 38 30 16 o 6.8240  1.0103 ?       ?         0.46   -1.11  -0.01  0.02   
1 1 1 38 30 17 o 4.4792  0.7668 ?       ?         1.07   0.26   0.00   0.02   
1 1 1 38 30 18 f 3.2035  1.4669 ?       ?         -0.38  0.42   -0.01  -0.01  
1 1 1 38 30 19 o 5.7283  0.8597 ?       ?         0.40   -1.28  -0.00  -0.00  
1 1 1 38 31 0  o 16.294  0.3072 17.202  180.000   -0.46  0.00   0.00   0.00   
1 1 1 38 31 1  o 5.9690  0.8083 7.9675  -174.3000 -1.08  -0.91  -0.05  -0.06  
1 1 1 38 31 2  o 8.0122  0.3459 7.2371  -90.2000  -0.53  0.82   0.13   -0.05  
1 1 1 38 31 3  o 6.5933  0.3834 7.7084  59.700    -0.70  0.12   0.18   -0.04  
1 1 1 38 31 4  o 3.9855  0.6016 4.6496  -114.7000 0.49   -0.48  -0.05  0.03   
1 1 1 38 31 5  o 4.3991  0.4726 3.9877  -142.8000 0.43   -1.03  -0.05  0.14   
1 1 1 38 31 6  o 4.8310  0.7126 4.1111  166.600   -0.14  0.86   0.02   0.03   
1 1 1 38 31 7  o 2.0784  0.9962 2.3481  -115.4000 -0.05  -0.16  0.00   -0.01  
1 1 1 38 31 8  o 3.1528  0.7718 3.1299  20.100    1.24   -2.06  0.18   0.18   
1 1 1 38 31 9  o 12.474  0.1870 13.417  92.900    -1.47  0.94   -0.27  -0.09  
1 1 1 38 31 10 o 3.0265  0.3858 3.4622  -2.6000   0.39   0.25   0.09   0.08   
1 1 1 38 31 11 o 5.4948  0.2734 5.5804  66.100    0.14   1.67   0.15   0.29   
1 1 1 38 31 12 o 6.0839  0.3692 5.3799  1.3000    0.59   -0.22  -0.03  -0.01  
1 1 1 38 31 13 o 2.4756  0.9358 1.5395  24.100    0.12   0.03   -0.00  0.00   
1 1 1 38 31 14 o 3.7289  0.5130 3.3579  131.200   -0.25  -0.30  -0.01  0.00   
1 1 1 38 31 15 o 3.5005  0.6788 ?       ?         -0.03  0.01   0.00   -0.00  
1 1 1 38 31 16 o 5.9194  0.8901 ?       ?         -0.30  0.55   -0.01  0.00   
1 1 1 38 31 17 o 5.7570  0.8180 ?       ?         0.32   -1.27  -0.01  0.02   
1 1 1 38 31 18 o 2.0528  1.2676 ?       ?         -0.21  -0.35  -0.00  0.00   
1 1 1 38 31 19 o 5.7094  1.1087 ?       ?         -0.22  0.34   0.00   -0.00  
1 1 1 38 32 0  o 5.3759  0.6289 1.8781  180.000   -0.18  0.00   0.00   0.00   
1 1 1 38 32 1  o 4.3443  0.5107 4.7704  -166.4000 -0.25  -0.01  0.02   -0.01  
1 1 1 38 32 2  o 5.2752  0.4807 4.2561  -113.7000 0.21   -0.35  0.01   -0.05  
1 1 1 38 32 3  o 2.8121  0.9724 2.9185  -141.5000 -0.57  -0.13  -0.02  -0.04  
1 1 1 38 32 4  o 4.7363  0.5058 4.1766  102.000   0.65   0.83   -0.09  -0.06  
1 1 1 38 32 5  o 15.165  0.4551 15.242  -101.5000 2.92   -3.01  -0.52  0.25   
1 1 1 38 32 6  o 3.6964  0.6823 3.2629  162.800   -0.17  -0.04  -0.00  -0.00  
1 1 1 38 32 7  o 2.4475  0.6987 3.5702  73.100    0.25   0.47   -0.01  -0.04  
1 1 1 38 32 8  o 3.7466  0.2431 4.1326  -18.5000  0.11   -0.03  0.01   0.00   
1 1 1 38 32 9  o 3.7856  0.3150 3.8160  39.500    0.57   -0.97  -0.04  0.14   
1 1 1 38 32 10 o 13.655  0.2771 12.619  2.8000    -0.26  -0.53  0.01   0.01   
1 1 1 38 32 11 o 7.9921  0.2223 8.1567  -141.2000 1.34   -1.18  -0.11  -0.57  
1 1 1 38 32 12 o 3.9824  0.4378 3.8300  140.900   0.47   0.19   0.01   -0.02  
1 1 1 38 32 13 o 4.8895  0.3849 4.5455  45.100    0.04   -0.03  -0.00  -0.00  
1 1 1 38 32 14 o 5.7098  0.6747 ?       ?         -0.28  -1.62  -0.02  -0.07  
1 1 1 38 32 15 o 2.6108  0.8699 ?       ?         0.47   -0.27  0.01   -0.01  
1 1 1 38 32 16 o 5.9165  0.6679 ?       ?         0.27   -0.71  -0.01  0.00   
1 1 1 38 32 17 o 5.8611  0.7523 ?       ?         0.82   0.51   0.01   0.01   
1 1 1 38 32 18 f 3.6514  1.2431 ?       ?         -0.49  -0.43  0.00   0.00   
1 1 1 38 32 19 f 2.5154  1.5332 ?       ?         0.03   -0.02  -0.00  -0.00  
1 1 1 38 33 0  o 0.0000  2.7019 2.2347  -180.0000 -0.00  0.00   0.00   0.00   
1 1 1 38 33 1  o 6.3510  0.6949 6.7238  -24.2000  1.35   -0.38  -0.07  -0.01  
1 1 1 38 33 2  o 5.4043  0.7339 5.4826  144.600   -0.95  0.34   -0.05  -0.01  
1 1 1 38 33 3  o 7.5069  0.3260 7.3628  -7.4000   1.00   -0.15  0.24   0.07   
1 1 1 38 33 4  o 5.4960  0.4292 4.7661  -126.3000 0.02   0.69   -0.03  0.08   
1 1 1 38 33 5  o 4.7893  0.4447 5.6900  -104.7000 0.48   -0.78  0.11   -0.04  
1 1 1 38 33 6  o 5.1682  0.4647 6.1244  -27.5000  -0.37  0.08   0.03   -0.01  
1 1 1 38 33 7  o 9.2340  0.4147 7.9495  -102.0000 1.57   -2.00  -0.22  0.18   
1 1 1 38 33 8  o 10.279  0.3447 11.029  150.300   -6.40  -0.88  -0.71  -1.49  
1 1 1 38 33 9  o 5.9218  0.1734 5.4619  -179.6000 -0.40  0.13   0.09   -0.04  
1 1 1 38 33 10 o 8.0286  0.2153 8.3715  174.000   -1.72  0.38   0.10   0.28   
1 1 1 38 33 11 o 6.3251  0.2527 7.0359  73.100    -0.09  0.63   -0.07  0.02   
1 1 1 38 33 12 f 6.1843  0.2985 5.6391  24.100    0.67   -0.62  -0.01  -0.11  
1 1 1 38 33 13 o 4.0740  0.6129 4.7989  160.900   -0.45  -0.33  0.02   -0.01  
1 1 1 38 33 14 o 3.8046  0.8403 ?       ?         -0.03  0.43   -0.00  0.01   
1 1 1 38 33 15 o 1.4213  1.1586 ?       ?         -0.08  -0.01  0.00   -0.00  
1 1 1 38 33 16 o 5.3870  1.2437 ?       ?         0.62   -2.09  -0.03  0.02   
1 1 1 38 33 17 f 1.7632  1.5395 ?       ?         0.10   0.13   -0.00  0.00   
1 1 1 38 33 18 f 4.6107  1.1583 ?       ?         -0.21  0.73   0.00   -0.00  
1 1 1 38 34 0  o 12.313  0.3589 13.129  180.000   -1.39  0.00   0.00   0.00   
1 1 1 38 34 1  f 4.2725  0.5657 3.1853  127.200   0.01   0.60   0.01   0.04   
1 1 1 38 34 2  o 5.5611  0.3822 5.2953  -10.7000  0.69   0.42   -0.09  0.09   
1 1 1 38 34 3  o 11.943  0.2552 11.760  -59.5000  0.32   -0.66  0.00   -0.06  
1 1 1 38 34 4  o 5.3568  0.4591 5.0268  -179.9000 -0.46  -0.28  0.03   -0.01  
1 1 1 38 34 5  o 6.7393  0.4057 6.5547  -113.0000 -0.04  0.41   -0.01  0.01   
1 1 1 38 34 6  f 9.3414  0.4189 8.5114  -39.6000  0.18   -0.37  -0.01  0.01   
1 1 1 38 34 7  o 1.4478  0.8900 2.1658  36.600    0.17   0.03   0.01   0.01   
1 1 1 38 34 8  o 8.7204  0.1821 9.5585  -38.8000  2.55   -0.59  -0.32  -0.80  
1 1 1 38 34 9  o 7.2528  0.4922 8.3537  173.100   -2.69  -0.83  -0.24  0.03   
1 1 1 38 34 10 o 5.4490  0.2759 5.6109  6.5000    0.01   -0.38  -0.02  0.02   
1 1 1 38 34 11 o 3.2394  0.6261 2.8732  -167.5000 0.18   -0.68  -0.00  0.03   
1 1 1 38 34 12 o 1.8539  0.7297 2.6599  -65.9000  0.02   -0.17  -0.01  0.00   
1 1 1 38 34 13 o 5.7878  0.4783 ?       ?         0.59   0.13   0.01   0.01   
1 1 1 38 34 14 o 2.6477  0.8741 ?       ?         0.01   0.10   -0.00  -0.00  
1 1 1 38 34 15 o 8.0629  0.9751 ?       ?         -0.28  1.14   0.00   -0.01  
1 1 1 38 34 16 o 10.504  0.6193 ?       ?         -0.71  3.03   -0.04  -0.01  
1 1 1 38 34 17 o 4.9344  1.3276 ?       ?         -0.37  -0.25  0.00   -0.00  
1 1 1 38 35 0  o 3.3166  0.7952 4.3741  180.000   -0.00  0.00   0.00   0.00   
1 1 1 38 35 1  o 9.1686  0.3375 9.1970  -130.2000 -1.07  -0.20  -0.03  0.07   
1 1 1 38 35 2  o 4.4313  0.4800 3.9294  -144.5000 0.57   -0.48  -0.06  -0.01  
1 1 1 38 35 3  o 0.0000  1.8841 ?       ?         0.13   0.23   0.02   0.04   
1 1 1 38 35 4  o 11.630  0.2533 12.932  36.800    -0.55  3.79   -0.83  0.65   
1 1 1 38 35 5  o 4.0547  1.8058 1.4951  49.600    1.08   0.25   -0.06  0.00   
1 1 1 38 35 6  f 4.9916  0.5919 5.0310  -58.4000  0.61   -0.67  -0.04  0.01   
1 1 1 38 35 7  o 7.9529  0.3437 7.5372  -163.6000 0.12   0.22   -0.00  0.01   
1 1 1 38 35 8  o 8.1650  0.2213 8.8282  169.700   -2.70  1.46   0.71   0.45   
1 1 1 38 35 9  o 6.8157  0.2264 8.2221  48.500    0.18   -0.17  0.00   -0.01  
1 1 1 38 35 10 o 9.4818  0.3502 10.124  15.100    -1.10  -0.03  -0.00  -0.05  
1 1 1 38 35 11 o 6.5594  0.3381 6.5316  9.8000    -0.64  0.32   0.02   0.02   
1 1 1 38 35 12 o 5.4998  0.3592 ?       ?         0.36   -0.53  -0.01  -0.03  
1 1 1 38 35 13 o 5.1964  0.6373 ?       ?         -0.23  -1.17  0.00   0.04   
1 1 1 38 35 14 o 5.7838  0.7246 ?       ?         -0.50  0.89   -0.00  -0.01  
1 1 1 38 35 15 o 1.0339  1.2404 ?       ?         0.25   -0.19  0.00   -0.00  
1 1 1 38 35 16 o 4.3932  1.2777 ?       ?         -0.30  -0.40  0.00   0.00   
1 1 1 38 36 0  o 10.682  0.4143 12.151  0.0000    0.51   0.00   0.00   0.00   
1 1 1 38 36 1  o 5.9616  0.4577 6.0420  -62.8000  0.09   -1.43  0.01   0.14   
1 1 1 38 36 2  o 2.5601  0.6792 0.9628  57.700    0.17   0.18   0.00   0.02   
1 1 1 38 36 3  o 10.286  0.2985 10.409  -27.0000  0.32   -0.14  0.01   -0.01  
1 1 1 38 36 4  o 5.5977  1.0854 5.9626  -48.4000  3.27   -2.09  -0.33  0.15   
1 1 1 38 36 5  o 3.8986  0.5583 3.5605  54.000    0.84   0.30   -0.04  0.05   
1 1 1 38 36 6  o 2.3098  0.7186 1.8341  -4.1000   0.25   -0.49  -0.07  -0.04  
1 1 1 38 36 7  o 3.3441  0.6150 2.2464  72.200    -0.10  -0.21  -0.01  0.00   
1 1 1 38 36 8  o 3.3455  1.6118 1.7109  -68.1000  0.19   0.34   -0.01  0.00   
1 1 1 38 36 9  o 4.4476  0.3540 5.2423  20.500    0.20   0.93   0.03   0.08   
1 1 1 38 36 10 o 7.3728  0.3783 8.9828  -104.6000 -0.86  -1.05  0.07   0.03   
1 1 1 38 36 11 o 1.9541  0.6464 2.6613  -52.7000  -0.15  -0.13  -0.01  0.01   
1 1 1 38 36 12 o 7.2548  0.5199 ?       ?         0.79   -0.06  0.01   0.00   
1 1 1 38 36 13 f 2.2392  1.0696 ?       ?         -0.25  -0.33  -0.00  0.01   
1 1 1 38 36 14 o 4.7684  2.0858 ?       ?         -1.23  0.25   -0.03  -0.03  
1 1 1 38 37 0  o 0.0000  2.8284 1.0543  -0.0000   0.02   0.00   0.00   0.00   
1 1 1 38 37 1  o 5.5310  0.5136 5.6252  -47.8000  -0.90  0.93   -0.10  0.02   
1 1 1 38 37 2  f 6.2952  0.3752 6.9234  -50.1000  0.13   -1.25  -0.05  -0.14  
1 1 1 38 37 3  o 3.9692  0.5962 4.4063  -62.2000  0.06   -0.56  -0.02  -0.02  
1 1 1 38 37 4  o 8.4673  0.3039 10.879  -89.6000  1.35   -1.09  -0.17  -0.15  
1 1 1 38 37 5  o 3.5628  0.6556 4.5949  -16.9000  -0.15  -0.12  0.00   0.00   
1 1 1 38 37 6  o 3.7250  1.7349 1.5488  135.700   -0.15  0.60   0.02   -0.02  
1 1 1 38 37 7  o 6.5999  0.7071 6.0271  -171.3000 -0.89  -0.15  0.01   0.01   
1 1 1 38 37 8  o 3.7231  1.2422 2.4916  -114.2000 -0.09  -0.45  -0.00  0.00   
1 1 1 38 37 9  o 1.3422  0.6264 1.9619  -72.3000  0.07   -0.09  0.00   -0.01  
1 1 1 38 37 10 o 2.4784  1.1542 3.0816  -45.1000  -0.02  0.22   0.00   0.00   
1 1 1 38 37 11 o 3.0548  1.0881 ?       ?         -0.63  -0.11  0.00   0.02   
1 1 1 38 37 12 o 4.1978  0.7015 ?       ?         -0.91  0.58   0.02   -0.02  
1 1 1 38 38 0  o 4.1352  0.9200 5.1511  -0.0000   0.19   0.00   0.00   0.00   
1 1 1 38 38 1  o 5.1575  0.7023 4.6896  -90.0000  -0.00  -0.18  0.00   0.00   
1 1 1 38 38 2  o 3.6606  0.8548 4.6464  180.000   -0.02  0.00   0.00   0.00   
1 1 1 38 38 3  o 2.7928  0.8672 0.7458  90.000    -0.00  -0.12  0.00   0.00   
1 1 1 38 38 4  o 2.7203  0.9290 1.7066  180.000   0.00   0.00   0.00   0.00   
1 1 1 38 38 5  o 3.9370  1.1999 4.8488  -90.0000  -0.00  -0.09  0.00   0.00   
1 1 1 38 38 6  o 9.8336  0.5391 10.987  0.0000    0.57   0.00   0.00   0.00   
1 1 1 38 38 7  o 3.6742  1.1995 5.3873  -90.0000  -0.00  -0.15  0.00   0.00   
1 1 1 38 38 8  o 2.8461  1.5151 2.8259  180.000   -0.32  0.00   0.00   0.00   
1 1 1 38 38 9  o 2.6458  0.5396 3.9461  -90.0000  0.00   0.05   0.00   0.00   
1 1 1 38 38 10 f 6.8044  0.8898 ?       ?         -0.28  0.00   0.00   0.00   
1 1 1 39 0  1  o 16.471  0.2009 16.853  -135.0000 -0.08  -0.08  0.00   0.00   
1 1 1 39 0  2  o 4.9598  0.3389 1.8241  -179.1000 0.04   0.00   0.00   0.00   
1 1 1 39 0  3  o 3.1305  0.4436 3.7266  -45.4000  0.05   -0.05  0.00   0.00   
1 1 1 39 0  4  f 2.3022  0.5890 4.6572  -89.9000  -0.00  -0.01  0.00   0.00   
1 1 1 39 0  5  o 18.276  0.1922 15.062  44.900    0.12   0.12   0.00   0.00   
1 1 1 39 0  6  o 9.7929  0.2489 4.3448  -0.2000   -0.06  0.00   0.00   0.00   
1 1 1 39 0  7  o 8.8204  0.2801 5.1572  135.200   -0.04  0.04   0.00   0.00   
1 1 1 39 0  8  o 6.2048  0.3719 1.0852  -89.6000  0.00   0.17   0.00   0.00   
1 1 1 39 0  9  o 7.0000  0.3011 8.9418  44.900    0.02   0.02   0.00   0.00   
1 1 1 39 0  10 o 11.367  0.2369 10.762  -0.0000   0.14   0.00   0.00   0.00   
1 1 1 39 0  11 o 10.178  0.2493 10.153  -45.0000  -0.16  0.16   0.00   0.00   
1 1 1 39 0  12 o 8.2401  0.3322 6.3470  90.000    0.00   0.26   0.00   0.00   
1 1 1 39 0  13 o 3.9497  0.5312 2.7565  -135.0000 0.03   0.03   0.00   0.00   
1 1 1 39 0  14 o 1.1402  0.9844 1.3563  0.0000    -0.00  0.00   0.00   0.00   
1 1 1 39 0  15 o 11.323  0.2800 12.719  135.000   -0.12  0.12   0.00   0.00   
1 1 1 39 0  16 o 9.8234  0.3202 8.9585  -90.0000  -0.00  -1.00  0.00   0.00   
1 1 1 39 0  17 f 7.3144  0.3951 5.7246  45.000    0.03   0.03   0.00   0.00   
1 1 1 39 0  18 o 7.2319  0.4238 7.8959  0.0000    -0.14  0.00   0.00   0.00   
1 1 1 39 0  19 o 3.6606  0.6902 4.0870  -45.0000  0.07   -0.07  0.00   0.00   
1 1 1 39 0  20 o 1.1402  1.1202 ?       ?         0.00   0.02   0.00   0.00   
1 1 1 39 0  21 o 0.0000  2.6646 ?       ?         -0.05  -0.05  0.00   0.00   
1 1 1 39 0  22 o 15.106  0.4154 ?       ?         -0.94  0.00   0.00   0.00   
1 1 1 39 0  23 o 0.0000  4.4159 ?       ?         0.18   -0.18  0.00   0.00   
1 1 1 39 1  0  o 12.526  0.1810 12.725  -179.9000 -0.13  0.00   0.00   0.00   
1 1 1 39 1  1  o 6.0228  0.1949 2.0640  -33.5000  2.04   -1.73  0.09   2.08   
1 1 1 39 1  2  o 27.123  0.1418 30.453  -161.8000 -0.21  1.19   0.56   -0.55  
1 1 1 39 1  3  o 10.656  0.2414 9.8675  45.400    0.35   1.95   0.39   -0.07  
1 1 1 39 1  4  o 14.398  0.2680 17.375  -102.1000 3.87   -4.04  -0.30  1.98   
1 1 1 39 1  5  o 21.754  0.1283 20.003  -13.8000  0.55   -0.30  -0.27  0.00   
1 1 1 39 1  6  o 15.982  0.1325 11.676  -35.0000  0.54   0.35   0.07   -0.18  
1 1 1 39 1  7  o 24.525  0.1424 26.017  -80.8000  1.97   -1.59  -3.52  -0.82  
1 1 1 39 1  8  o 19.186  0.5537 21.091  -92.2000  -5.81  -9.72  0.72   -2.45  
1 1 1 39 1  9  o 6.1032  0.5609 8.1419  83.300    -1.34  -0.12  -0.06  -0.02  
1 1 1 39 1  10 o 12.782  0.1884 11.281  66.600    2.74   0.71   -1.36  0.08   
1 1 1 39 1  11 o 10.624  0.3345 13.010  41.000    2.03   0.36   -0.29  0.01   
1 1 1 39 1  12 o 23.154  0.1515 23.177  102.200   -0.40  2.40   -0.32  1.03   
1 1 1 39 1  13 o 11.983  0.1811 8.3687  -168.4000 0.94   -0.01  -0.14  0.23   
1 1 1 39 1  14 o 11.106  0.1963 12.617  6.0000    0.60   -0.47  0.30   -0.15  
1 1 1 39 1  15 o 4.3896  0.4021 3.1029  53.600    -0.10  0.58   0.04   -0.01  
1 1 1 39 1  16 o 3.9529  0.4662 4.1834  70.300    -0.50  0.01   -0.03  -0.05  
1 1 1 39 1  17 o 15.761  0.1858 16.250  -6.4000   1.51   -0.39  -0.07  -0.26  
1 1 1 39 1  18 o 3.1573  0.5345 1.0459  95.300    -0.16  0.01   -0.00  -0.01  
1 1 1 39 1  19 o 3.0781  1.3741 2.1224  131.700   -0.07  0.52   0.02   0.03   
1 1 1 39 1  20 o 5.9986  0.5947 ?       ?         0.16   0.54   -0.00  -0.01  
1 1 1 39 1  21 o 8.1234  0.4073 ?       ?         -0.26  0.88   0.00   -0.04  
1 1 1 39 1  22 o 3.7687  0.7403 ?       ?         -0.64  0.22   0.00   -0.03  
1 1 1 39 1  23 o 4.3832  1.0725 ?       ?         0.27   -0.35  0.00   -0.00  
1 1 1 39 2  0  o 15.186  0.1693 11.845  0.3000    0.06   0.00   0.00   0.00   
1 1 1 39 2  1  o 18.619  0.5269 20.598  -157.4000 -13.23 -13.09 0.79   -6.50  
1 1 1 39 2  2  o 10.967  0.1428 5.2960  -73.3000  0.13   0.45   0.04   -0.05  
1 1 1 39 2  3  o 13.976  0.2836 11.735  122.400   0.01   3.61   0.88   -0.18  
1 1 1 39 2  4  f 24.038  0.1376 21.646  -100.5000 -0.17  0.68   -0.66  0.45   
1 1 1 39 2  5  o 12.965  0.1477 11.153  -99.8000  -2.64  -1.09  -1.62  -0.78  
1 1 1 39 2  6  o 7.0250  0.2018 5.2399  29.300    0.21   0.94   0.61   0.04   
1 1 1 39 2  7  o 17.719  0.3759 16.086  32.500    4.63   1.54   -0.59  -0.77  
1 1 1 39 2  8  o 10.796  0.2245 11.984  -122.9000 -1.79  -0.29  -0.43  -0.00  
1 1 1 39 2  9  f 10.363  0.1722 10.818  -162.3000 1.73   1.23   0.46   -1.56  
1 1 1 39 2  10 o 1.6539  0.7873 3.2152  -21.8000  0.02   -0.29  0.03   -0.00  
1 1 1 39 2  11 f 7.4130  0.3899 9.8965  164.300   -0.45  1.36   0.13   0.04   
1 1 1 39 2  12 o 6.8039  0.4404 7.4138  108.400   -1.19  2.22   0.31   0.24   
1 1 1 39 2  13 o 4.4463  0.5004 4.2012  -131.6000 -0.34  -0.18  -0.00  -0.01  
1 1 1 39 2  14 o 10.611  0.1923 9.3645  -29.1000  -0.26  0.17   0.01   -0.07  
1 1 1 39 2  15 o 3.3013  1.4593 3.4142  6.0000    0.36   0.25   -0.01  -0.01  
1 1 1 39 2  16 o 2.1390  0.6394 2.5142  -11.1000  0.07   -0.03  0.01   -0.01  
1 1 1 39 2  17 o 6.6281  0.3194 6.4625  157.700   -0.19  0.40   -0.07  0.00   
1 1 1 39 2  18 o 10.501  0.2371 9.5507  13.000    0.18   -0.61  -0.04  -0.07  
1 1 1 39 2  19 o 9.7890  0.2483 10.403  28.900    0.96   -1.71  0.31   -0.21  
1 1 1 39 2  20 o 3.0990  0.6038 ?       ?         0.22   0.05   0.01   -0.00  
1 1 1 39 2  21 o 3.1791  1.4652 ?       ?         -0.10  0.14   -0.00  0.00   
1 1 1 39 2  22 o 3.7431  0.9153 ?       ?         0.01   0.51   -0.00  0.02   
1 1 1 39 2  23 o 4.8052  0.9644 ?       ?         1.04   0.54   0.00   0.02   
1 1 1 39 3  0  o 8.0000  0.2248 6.7071  180.000   0.08   0.00   0.00   0.00   
1 1 1 39 3  1  f 9.9639  0.1643 12.899  -95.6000  -0.40  -1.22  0.34   -0.13  
1 1 1 39 3  2  o 24.961  0.1587 26.456  111.900   0.33   2.90   1.17   -1.32  
1 1 1 39 3  3  o 10.196  0.1431 10.141  159.900   0.39   1.18   0.35   -0.55  
1 1 1 39 3  4  o 12.096  0.1437 12.515  89.500    -0.73  -0.80  -1.31  -1.25  
1 1 1 39 3  5  o 8.5794  0.1632 9.3707  -97.9000  -0.59  -0.29  -0.09  -0.06  
1 1 1 39 3  6  o 3.8514  0.3196 3.6064  -57.0000  0.21   0.80   0.63   -0.03  
1 1 1 39 3  7  o 5.4493  0.3685 1.7334  58.400    -2.97  -2.31  -0.50  -1.12  
1 1 1 39 3  8  o 11.592  0.1842 11.920  153.600   -0.44  -1.68  0.56   -0.06  
1 1 1 39 3  9  o 9.5699  0.6666 7.1995  128.000   -4.71  9.91   0.99   1.55   
1 1 1 39 3  10 o 9.0137  0.1987 8.8955  -112.4000 0.45   -1.28  0.11   0.85   
1 1 1 39 3  11 o 13.478  0.1603 13.192  -17.8000  0.16   -0.04  0.02   0.01   
1 1 1 39 3  12 o 7.7668  0.2199 6.8195  66.800    0.44   0.39   -0.42  0.11   
1 1 1 39 3  13 o 9.1584  0.6274 9.6550  150.700   -2.09  3.53   0.22   0.27   
1 1 1 39 3  14 f 2.1270  0.9999 0.5831  73.400    -0.09  0.23   0.01   0.02   
1 1 1 39 3  15 o 3.9203  0.4362 4.0117  -23.8000  -0.05  -0.06  0.00   -0.00  
1 1 1 39 3  16 o 7.1706  0.2888 8.2231  -25.2000  0.26   -0.22  0.03   0.01   
1 1 1 39 3  17 o 11.452  0.6550 11.395  -105.8000 4.33   -3.22  -0.45  0.41   
1 1 1 39 3  18 o 6.7335  0.3195 6.2085  117.300   -0.22  0.05   0.01   -0.01  
1 1 1 39 3  19 o 1.7049  0.8750 1.4557  34.100    -0.33  0.10   -0.02  -0.05  
1 1 1 39 3  20 o 3.4477  0.5512 ?       ?         0.32   0.03   0.01   0.02   
1 1 1 39 3  21 f 1.7113  0.8326 ?       ?         0.32   0.09   0.02   0.02   
1 1 1 39 3  22 o 5.8917  1.1283 ?       ?         -0.08  -0.19  -0.00  -0.00  
1 1 1 39 3  23 o 3.7590  1.3431 ?       ?         0.65   -0.51  -0.00  -0.01  
1 1 1 39 4  0  o 5.0200  0.3091 2.6086  -0.8000   -0.00  0.00   0.00   0.00   
1 1 1 39 4  1  f 19.023  0.3464 20.176  163.800   -4.58  7.24   1.91   2.54   
1 1 1 39 4  2  o 28.308  0.3720 26.764  12.600    4.56   3.17   -0.04  -1.33  
1 1 1 39 4  3  o 17.334  0.3413 15.451  157.400   -8.69  -7.76  0.53   -6.32  
1 1 1 39 4  4  o 20.659  0.1417 16.688  -47.5000  0.02   -1.26  0.42   -1.83  
1 1 1 39 4  5  o 18.490  0.2191 21.243  34.800    0.13   1.12   0.12   0.01   
1 1 1 39 4  6  o 5.2738  0.5501 2.8344  -38.0000  2.74   2.05   -0.18  -0.44  
1 1 1 39 4  7  o 21.534  0.4205 18.933  178.000   -3.19  -0.18  -0.33  0.06   
1 1 1 39 4  8  o 11.722  0.1573 14.951  34.300    0.32   -0.90  -0.35  0.96   
1 1 1 39 4  9  o 7.9281  0.1966 6.8571  179.300   -0.36  0.02   -0.04  0.25   
1 1 1 39 4  10 o 8.7833  0.2014 8.2154  154.100   -0.52  0.16   0.49   -0.39  
1 1 1 39 4  11 o 9.2225  0.2034 8.8419  -23.3000  -0.81  -0.63  -0.75  -0.03  
1 1 1 39 4  12 o 4.6059  0.4371 2.4601  0.7000    -0.48  1.59   0.29   0.06   
1 1 1 39 4  13 o 5.3948  0.2975 6.2974  105.200   0.15   0.05   0.01   -0.03  
1 1 1 39 4  14 o 6.3810  0.4569 3.9849  -58.5000  -1.13  -1.57  -0.06  -0.30  
1 1 1 39 4  15 o 5.4909  0.4916 2.6667  -141.5000 1.08   -0.71  -0.11  0.08   
1 1 1 39 4  16 o 13.080  0.2085 12.489  82.200    -3.00  2.35   -1.64  0.37   
1 1 1 39 4  17 o 6.6158  0.3791 5.9428  34.700    -0.32  0.21   -0.01  0.00   
1 1 1 39 4  18 o 4.7456  0.4231 3.5026  131.300   0.05   -0.27  -0.01  0.02   
1 1 1 39 4  19 o 9.8826  0.2547 10.679  24.800    0.62   0.34   0.04   0.08   
1 1 1 39 4  20 o 8.0365  0.3048 ?       ?         1.00   0.02   0.05   0.07   
1 1 1 39 4  21 o 8.5821  0.3384 ?       ?         0.12   1.98   -0.21  0.02   
1 1 1 39 4  22 o 3.7051  0.7258 ?       ?         0.08   -0.03  0.00   0.00   
1 1 1 39 4  23 o 6.5095  1.7355 ?       ?         -0.53  -0.02  -0.00  -0.00  
1 1 1 39 5  0  o 35.485  0.2560 35.646  -0.0000   0.61   0.00   0.00   0.00   
1 1 1 39 5  1  o 17.223  0.6555 20.962  49.600    6.72   12.14  1.40   -1.82  
1 1 1 39 5  2  o 13.596  0.1247 10.687  48.000    0.67   0.18   -0.16  -0.48  
1 1 1 39 5  3  o 17.913  0.2730 17.279  42.600    -1.20  4.89   1.17   1.03   
1 1 1 39 5  4  o 12.764  0.3876 9.2004  -73.0000  -1.88  -7.43  1.57   -1.13  
1 1 1 39 5  5  o 4.9599  0.2383 1.8904  -62.9000  0.19   0.49   0.37   -0.10  
1 1 1 39 5  6  o 9.0143  0.2084 12.392  88.500    0.74   2.04   0.44   -0.68  
1 1 1 39 5  7  o 18.171  0.2675 18.148  -10.4000  1.63   -0.02  -0.19  0.09   
1 1 1 39 5  8  o 4.6426  0.3059 3.9751  116.700   -0.33  0.29   0.96   -0.91  
1 1 1 39 5  9  o 16.218  0.3070 12.401  36.000    0.52   -0.50  -0.01  0.03   
1 1 1 39 5  10 o 5.8102  0.2706 6.9589  -113.7000 0.20   0.07   -0.00  -0.03  
1 1 1 39 5  11 o 11.628  0.1659 9.2242  35.700    -0.09  0.60   -0.56  -0.16  
1 1 1 39 5  12 o 20.177  0.2230 21.199  -83.5000  0.32   -2.57  0.24   0.68   
1 1 1 39 5  13 o 4.0049  0.6555 4.9997  -117.1000 -0.19  -1.04  0.07   -0.01  
1 1 1 39 5  14 o 4.9212  0.3555 3.7093  -47.4000  -0.01  -0.02  0.00   0.00   
1 1 1 39 5  15 o 4.3323  0.3985 4.8477  4.6000    -0.03  -0.16  -0.00  -0.01  
1 1 1 39 5  16 o 9.5258  0.2301 9.2511  23.700    0.57   -0.22  0.01   0.05   
1 1 1 39 5  17 o 9.6804  0.2279 9.6605  74.800    1.19   0.59   -0.24  0.33   
1 1 1 39 5  18 o 6.4800  0.3227 7.4647  4.7000    0.47   0.55   -0.13  0.08   
1 1 1 39 5  19 o 2.2665  0.7236 2.5130  -170.8000 0.29   -0.47  -0.09  0.03   
1 1 1 39 5  20 o 2.4054  1.1428 ?       ?         0.23   -0.28  0.02   0.01   
1 1 1 39 5  21 o 6.0302  0.4599 ?       ?         -0.42  -1.18  -0.09  0.06   
1 1 1 39 5  22 f 5.0695  1.2874 ?       ?         -0.22  0.15   -0.00  -0.00  
1 1 1 39 5  23 o 2.5471  1.4602 ?       ?         -0.17  -0.00  0.00   0.00   
1 1 1 39 6  0  o 21.324  0.2365 18.904  0.0000    0.23   0.00   0.00   0.00   
1 1 1 39 6  1  f 20.241  0.8594 16.184  -121.5000 -16.60 -16.56 -0.35  -3.89  
1 1 1 39 6  2  o 27.535  0.1711 24.325  -28.4000  0.67   -2.04  0.23   0.81   
1 1 1 39 6  3  o 6.2631  0.1984 8.5154  -114.5000 0.12   -0.55  0.18   0.02   
1 1 1 39 6  4  o 15.888  0.2434 13.446  -90.7000  0.12   -3.65  1.03   0.34   
1 1 1 39 6  5  o 14.451  0.2229 18.534  -149.6000 -1.54  -0.32  -0.21  -0.21  
1 1 1 39 6  6  f 16.418  0.5073 16.945  -42.4000  -0.25  -11.77 3.24   -0.75  
1 1 1 39 6  7  f 3.8887  0.3210 7.7279  15.400    0.38   0.20   -0.25  -0.08  
1 1 1 39 6  8  f 3.2601  0.3695 3.0102  136.000   -0.19  -0.15  -0.10  -0.04  
1 1 1 39 6  9  o 6.0882  0.3535 4.6644  55.900    0.77   2.72   0.51   -0.56  
1 1 1 39 6  10 o 10.443  0.4903 7.5955  -100.9000 1.03   -3.33  0.27   0.32   
1 1 1 39 6  11 o 9.7084  0.1989 9.2831  -59.3000  -0.45  -1.77  0.25   -0.83  
1 1 1 39 6  12 o 7.0451  0.2402 7.2447  -3.4000   0.43   -0.14  0.39   0.06   
1 1 1 39 6  13 o 6.4209  0.3357 6.7207  -177.4000 -0.38  -0.12  -0.02  -0.00  
1 1 1 39 6  14 o 5.0207  0.3447 4.9116  126.100   0.05   -0.31  0.01   0.02   
1 1 1 39 6  15 o 11.692  0.3005 12.170  136.900   -1.46  0.23   -0.15  -0.09  
1 1 1 39 6  16 f 6.5068  0.3678 6.4006  11.200    2.56   1.51   -0.88  -0.24  
1 1 1 39 6  17 o 7.3394  0.2893 6.6503  -61.3000  0.22   0.15   0.02   0.02   
1 1 1 39 6  18 o 4.5563  0.5467 4.2257  153.900   0.68   0.14   -0.03  0.02   
1 1 1 39 6  19 f 4.9704  0.3978 7.1646  -88.4000  -0.12  -0.05  -0.00  0.00   
1 1 1 39 6  20 o 5.6031  0.8228 ?       ?         -1.42  -0.34  -0.01  -0.07  
1 1 1 39 6  21 o 7.7293  0.3806 ?       ?         0.14   0.02   0.00   0.00   
1 1 1 39 6  22 o 7.5260  0.6450 ?       ?         1.32   -0.16  0.03   -0.04  
1 1 1 39 6  23 o 5.1936  1.1115 ?       ?         -0.67  -0.21  0.00   0.00   
1 1 1 39 7  0  o 5.3104  0.2855 8.3920  0.0000    -0.05  0.00   0.00   0.00   
1 1 1 39 7  1  o 18.513  0.3252 20.246  -39.2000  4.68   -4.75  -0.43  2.16   
1 1 1 39 7  2  o 7.6790  0.2092 5.1878  -53.6000  -3.47  -0.83  -1.68  -0.50  
1 1 1 39 7  3  o 2.1617  0.4336 2.4687  106.000   -0.15  0.59   0.09   0.07   
1 1 1 39 7  4  o 20.466  0.1436 21.042  48.800    3.81   -1.47  -1.03  3.66   
1 1 1 39 7  5  o 1.1037  0.5726 1.6036  -54.3000  0.02   -0.08  0.09   -0.09  
1 1 1 39 7  6  o 9.1726  0.1585 10.649  -155.0000 -0.59  -0.58  0.10   -0.22  
1 1 1 39 7  7  f 17.178  0.4570 18.364  -100.0000 -8.74  -8.70  0.98   -4.29  
1 1 1 39 7  8  o 17.085  0.1991 17.506  -67.9000  0.64   -2.37  0.78   -0.04  
1 1 1 39 7  9  o 15.774  0.1375 16.674  64.900    -0.12  0.90   0.24   -0.32  
1 1 1 39 7  10 o 14.960  0.4529 16.903  -79.2000  -0.26  2.85   0.23   0.14   
1 1 1 39 7  11 o 9.9084  0.2762 8.1582  -91.4000  -0.33  -1.42  0.13   -0.18  
1 1 1 39 7  12 o 16.586  0.1544 17.553  -65.0000  0.64   -0.31  -0.10  -0.02  
1 1 1 39 7  13 o 11.181  0.1870 12.404  78.700    0.41   -0.06  0.16   0.07   
1 1 1 39 7  14 o 5.9726  0.2794 5.5285  -146.6000 -0.16  -0.35  0.06   0.02   
1 1 1 39 7  15 o 8.5303  0.2379 7.7016  163.300   -0.19  -1.31  -0.22  -0.58  
1 1 1 39 7  16 o 3.7203  0.4789 3.6268  -149.8000 0.13   -0.35  -0.03  0.04   
1 1 1 39 7  17 o 7.2675  0.2777 6.0278  97.200    0.64   0.06   0.11   0.13   
1 1 1 39 7  18 o 2.1529  0.6715 3.0769  -101.4000 -0.01  -0.05  -0.00  0.00   
1 1 1 39 7  19 o 3.3193  0.5648 2.7922  160.400   -0.12  -0.09  -0.00  0.01   
1 1 1 39 7  20 o 3.1378  0.6457 ?       ?         0.35   -0.03  0.00   0.02   
1 1 1 39 7  21 o 1.0272  1.0005 ?       ?         0.04   0.10   -0.00  0.00   
1 1 1 39 7  22 o 2.7899  0.8735 ?       ?         0.08   0.18   -0.00  0.00   
1 1 1 39 7  23 o 3.3412  1.6446 ?       ?         0.34   0.48   0.00   0.01   
1 1 1 39 8  0  o 13.454  0.1797 14.276  180.000   -0.18  0.00   0.00   0.00   
1 1 1 39 8  1  o 12.708  0.1414 14.221  144.500   -1.67  -2.12  -0.32  -2.03  
1 1 1 39 8  2  o 8.2745  0.1607 7.4908  -43.0000  -0.58  -0.31  -0.23  -0.15  
1 1 1 39 8  3  o 15.680  0.1250 11.597  -83.5000  -0.15  -0.47  -1.14  -0.16  
1 1 1 39 8  4  o 3.3904  0.3479 4.0384  -124.5000 1.28   -0.55  -0.22  0.18   
1 1 1 39 8  5  f 7.9891  0.1669 9.7342  -127.0000 0.07   0.30   0.04   -0.07  
1 1 1 39 8  6  o 13.926  0.1429 13.409  -152.5000 0.05   -0.32  0.02   0.02   
1 1 1 39 8  7  o 14.889  0.1397 13.948  33.900    -0.14  0.32   0.06   -0.29  
1 1 1 39 8  8  o 17.180  0.4706 16.660  -53.4000  11.20  -3.38  -2.10  2.22   
1 1 1 39 8  9  o 7.5008  0.2097 8.9845  179.800   -0.12  -0.29  0.04   -0.01  
1 1 1 39 8  10 o 15.546  0.1839 15.440  -91.3000  0.00   -0.68  0.05   -0.07  
1 1 1 39 8  11 o 9.5961  0.4752 7.9163  48.800    -1.78  2.06   -0.03  0.26   
1 1 1 39 8  12 o 9.3554  0.2025 9.7852  -173.8000 -0.51  1.07   -0.01  0.31   
1 1 1 39 8  13 o 4.0439  0.4117 2.1024  -35.7000  -0.29  -0.16  -0.04  -0.01  
1 1 1 39 8  14 o 13.094  0.1741 13.475  -52.0000  0.72   0.54   0.27   -0.01  
1 1 1 39 8  15 o 5.6322  0.3357 7.8076  -160.7000 0.08   -0.12  0.01   -0.01  
1 1 1 39 8  16 o 7.0421  0.2912 6.3955  73.000    -0.06  -0.76  -0.26  0.10   
1 1 1 39 8  17 f 2.7958  0.5660 1.4484  116.300   0.05   0.00   0.00   -0.00  
1 1 1 39 8  18 o 9.4968  0.2486 10.493  169.900   -0.47  -0.07  0.04   0.02   
1 1 1 39 8  19 o 5.1192  0.4264 5.1519  71.700    -0.05  -0.39  0.00   0.02   
1 1 1 39 8  20 o 12.534  0.3150 ?       ?         -1.51  1.53   0.19   -0.06  
1 1 1 39 8  21 o 5.9859  1.0069 ?       ?         0.86   -1.22  0.05   0.01   
1 1 1 39 8  22 o 3.2075  1.2087 ?       ?         -0.09  -0.03  0.00   -0.00  
1 1 1 39 8  23 o 1.0301  1.3510 ?       ?         -0.03  -0.02  0.00   0.00   
1 1 1 39 9  0  o 18.215  0.1821 10.362  0.2000    -0.46  0.00   0.00   0.00   
1 1 1 39 9  1  o 3.8674  0.2699 1.9509  -113.2000 0.76   -0.67  0.03   0.34   
1 1 1 39 9  2  o 12.628  0.1286 13.551  -160.0000 -0.29  -0.05  0.24   0.56   
1 1 1 39 9  3  o 11.503  0.1984 11.115  -109.1000 0.22   -0.73  0.07   0.03   
1 1 1 39 9  4  o 4.1817  0.2659 4.8140  -19.0000  0.08   0.12   -0.12  -0.09  
1 1 1 39 9  5  o 16.556  0.2686 18.721  -117.8000 0.98   -4.17  1.05   1.12   
1 1 1 39 9  6  o 11.315  0.2600 8.3434  -9.2000   1.04   -1.98  0.40   0.31   
1 1 1 39 9  7  o 10.055  0.2333 7.4471  175.100   -1.77  -0.10  -0.38  0.07   
1 1 1 39 9  8  o 10.279  0.1752 10.414  -51.6000  0.38   0.91   0.29   -0.06  
1 1 1 39 9  9  o 13.636  0.2781 14.241  -112.9000 2.00   -4.98  0.85   2.04   
1 1 1 39 9  10 o 5.0035  0.3083 5.5828  -50.8000  -0.09  -0.07  0.02   -0.01  
1 1 1 39 9  11 o 2.2166  0.5482 1.9035  -38.7000  0.19   -0.18  -0.02  0.03   
1 1 1 39 9  12 o 24.319  0.3046 26.376  21.300    0.88   5.15   1.37   0.68   
1 1 1 39 9  13 o 17.648  0.3467 16.846  18.100    1.23   6.38   2.06   0.51   
1 1 1 39 9  14 o 7.0326  0.2568 6.4654  111.900   -0.11  -0.01  -0.00  0.00   
1 1 1 39 9  15 f 12.218  0.2133 11.964  50.100    0.05   0.63   0.03   0.05   
1 1 1 39 9  16 o 9.4865  0.2369 10.694  -99.0000  -0.83  -0.84  -0.20  0.43   
1 1 1 39 9  17 f 5.0150  0.3768 4.4995  -0.4000   0.03   -0.29  0.00   -0.02  
1 1 1 39 9  18 o 5.0163  0.9472 6.3386  -25.0000  1.44   -0.57  -0.08  0.01   
1 1 1 39 9  19 f 6.9293  0.3363 6.8905  63.900    0.99   0.60   0.21   0.04   
1 1 1 39 9  20 o 7.0644  0.3709 ?       ?         -0.90  -0.28  0.04   0.08   
1 1 1 39 9  21 o 2.4080  0.8593 ?       ?         -0.31  0.18   0.01   -0.02  
1 1 1 39 9  22 o 3.4298  0.8764 ?       ?         -0.27  0.34   -0.01  -0.01  
1 1 1 39 9  23 o 6.5419  0.7680 ?       ?         -0.32  0.64   -0.00  -0.00  
1 1 1 39 10 0  o 33.101  0.2489 27.169  -180.0000 -0.25  0.00   0.00   0.00   
1 1 1 39 10 1  o 11.942  0.1539 11.041  25.400    -0.29  -2.54  1.39   0.13   
1 1 1 39 10 2  o 12.634  0.1418 13.519  112.100   1.72   1.38   -0.61  -0.95  
1 1 1 39 10 3  o 18.211  0.1269 25.470  14.200    1.06   1.95   2.39   -0.65  
1 1 1 39 10 4  f 11.669  0.4154 14.469  165.400   -9.62  2.15   -3.44  0.95   
1 1 1 39 10 5  o 4.4794  0.2526 4.0072  85.000    0.10   0.00   0.12   0.09   
1 1 1 39 10 6  o 14.193  0.1439 11.989  131.800   0.05   0.32   -0.00  -0.11  
1 1 1 39 10 7  o 7.4392  0.2154 8.5388  -107.7000 0.96   -2.16  0.36   0.87   
1 1 1 39 10 8  o 16.132  0.1865 17.769  133.300   -1.10  -0.52  0.00   -0.23  
1 1 1 39 10 9  o 13.708  0.1514 16.546  26.400    0.63   -0.05  0.48   -0.45  
1 1 1 39 10 10 o 11.236  0.1666 9.8440  132.900   0.09   -0.03  0.01   0.00   
1 1 1 39 10 11 f 3.0099  0.4435 3.0363  142.600   -0.15  0.28   -0.01  0.06   
1 1 1 39 10 12 o 12.878  0.2785 12.488  -101.5000 0.86   -0.77  -0.06  0.09   
1 1 1 39 10 13 f 10.995  0.1873 11.046  64.200    -0.15  0.20   0.04   -0.02  
1 1 1 39 10 14 o 4.6897  0.3675 3.1249  -32.3000  -0.20  -0.01  -0.01  0.02   
1 1 1 39 10 15 o 11.470  0.2207 11.707  140.100   -2.49  0.07   -0.40  -0.70  
1 1 1 39 10 16 o 12.786  0.1896 14.177  -30.1000  0.56   -1.13  -0.34  -0.12  
1 1 1 39 10 17 o 12.651  0.1987 12.269  -66.8000  0.28   0.41   0.01   0.04   
1 1 1 39 10 18 o 8.8084  0.2708 8.4633  -102.6000 0.32   -0.50  -0.06  -0.01  
1 1 1 39 10 19 o 6.5085  0.3702 6.5244  -64.8000  -0.04  -0.59  -0.04  -0.03  
1 1 1 39 10 20 o 3.9129  0.5780 ?       ?         -0.01  -0.15  -0.00  0.00   
1 1 1 39 10 21 o 5.0525  0.5863 ?       ?         -0.02  -0.80  -0.03  0.00   
1 1 1 39 10 22 o 2.3294  1.1747 ?       ?         0.06   0.35   -0.00  0.01   
1 1 1 39 10 23 o 8.6535  0.6057 ?       ?         1.71   -0.61  0.02   -0.02  
1 1 1 39 11 0  o 7.3553  0.2306 6.6488  -0.0000   0.07   0.00   0.00   0.00   
1 1 1 39 11 1  o 11.284  0.2758 13.415  155.100   -0.34  3.13   0.61   0.03   
1 1 1 39 11 2  o 9.3103  0.3136 5.9673  177.000   -5.20  -3.96  -0.32  -2.19  
1 1 1 39 11 3  o 21.417  0.1359 20.822  -83.6000  -0.29  -0.52  0.22   0.30   
1 1 1 39 11 4  o 9.4090  0.1703 9.2032  -48.9000  0.01   0.81   0.28   -0.18  
1 1 1 39 11 5  o 5.8240  0.8059 4.7645  44.300    4.13   2.11   -0.25  -0.29  
1 1 1 39 11 6  o 9.8537  0.1583 13.405  179.600   -0.02  0.48   0.12   0.13   
1 1 1 39 11 7  o 0.7768  0.6882 0.1919  -57.2000  -0.02  -0.06  -0.05  0.06   
1 1 1 39 11 8  o 5.8920  0.2313 7.5834  -45.3000  0.12   -0.25  -0.36  -0.04  
1 1 1 39 11 9  o 6.5100  0.2492 6.5379  129.600   0.55   -1.15  0.64   0.07   
1 1 1 39 11 10 o 12.373  0.1617 11.546  155.100   -0.16  -0.78  -0.29  -0.42  
1 1 1 39 11 11 o 6.9837  0.2453 5.5704  44.700    0.46   0.56   0.09   -0.08  
1 1 1 39 11 12 o 7.4041  0.4556 5.9456  62.000    -1.54  3.58   0.34   0.71   
1 1 1 39 11 13 o 5.4644  0.3167 6.5672  -70.2000  -0.11  0.04   0.02   -0.00  
1 1 1 39 11 14 o 3.4869  0.5767 3.9890  -54.5000  0.09   -0.41  0.02   -0.00  
1 1 1 39 11 15 f 4.0562  0.4367 5.2563  115.500   -1.10  0.06   -0.14  -0.15  
1 1 1 39 11 16 o 7.4870  0.2885 8.3843  111.800   -0.01  -0.23  -0.02  0.01   
1 1 1 39 11 17 o 9.4938  0.2401 10.246  -147.9000 0.21   -1.70  -0.32  0.42   
1 1 1 39 11 18 o 3.2717  1.4670 2.6208  -134.4000 -0.14  0.61   0.03   -0.00  
1 1 1 39 11 19 o 5.4916  0.4284 6.6092  -158.1000 -0.11  0.46   -0.04  -0.02  
1 1 1 39 11 20 o 1.8982  0.8744 ?       ?         -0.26  -0.07  0.00   0.02   
1 1 1 39 11 21 o 5.3323  1.0383 ?       ?         0.84   0.03   -0.01  0.02   
1 1 1 39 11 22 o 6.6064  0.5546 ?       ?         -0.09  -0.42  -0.00  0.00   
1 1 1 39 11 23 f 0.3426  1.0118 ?       ?         0.33   -0.70  -0.01  -0.01  
1 1 1 39 12 0  o 3.5917  0.3647 4.1338  0.3000    0.11   0.00   0.00   0.00   
1 1 1 39 12 1  o 10.456  0.4561 11.790  -96.7000  4.47   -8.77  1.31   2.43   
1 1 1 39 12 2  f 7.5476  0.1732 8.0059  74.600    2.19   -1.86  0.55   2.65   
1 1 1 39 12 3  f 8.4130  0.1538 9.9057  65.400    2.00   1.33   -1.57  -1.49  
1 1 1 39 12 4  o 12.655  0.1297 13.609  -157.1000 -0.09  0.86   0.58   -0.91  
1 1 1 39 12 5  f 4.9074  0.5586 8.6498  113.000   0.55   1.13   0.04   -0.06  
1 1 1 39 12 6  o 9.6862  0.2723 8.0642  39.000    0.04   3.93   1.17   -0.35  
1 1 1 39 12 7  o 5.7004  0.2556 3.4537  151.000   0.12   0.10   0.07   -0.02  
1 1 1 39 12 8  o 19.942  0.1389 19.573  -119.3000 -0.66  -1.00  -0.93  0.13   
1 1 1 39 12 9  o 4.7150  0.3015 1.1722  -148.5000 0.30   0.18   0.31   -0.02  
1 1 1 39 12 10 o 6.7376  0.2532 9.6676  -127.2000 0.06   0.14   -0.00  0.05   
1 1 1 39 12 11 o 7.2576  0.2297 6.6906  172.100   0.16   -0.62  0.01   0.21   
1 1 1 39 12 12 o 10.238  0.2173 9.0039  135.000   -1.44  -0.77  0.04   -0.39  
1 1 1 39 12 13 o 3.0881  0.4894 1.9536  173.900   -0.18  -0.14  -0.01  -0.01  
1 1 1 39 12 14 o 10.140  0.3039 10.954  6.9000    1.38   1.28   0.20   -0.24  
1 1 1 39 12 15 o 7.2639  0.2673 7.0862  -79.7000  -0.39  -0.76  0.13   0.02   
1 1 1 39 12 16 o 8.0344  0.5811 7.9779  14.400    -0.76  -0.34  -0.00  -0.03  
1 1 1 39 12 17 o 5.3035  0.5849 5.8837  -163.4000 0.02   0.05   0.00   0.00   
1 1 1 39 12 18 o 2.5298  0.6430 1.6084  -85.7000  -0.04  -0.08  -0.00  0.00   
1 1 1 39 12 19 o 6.3505  1.5673 ?       ?         1.04   -2.91  0.14   0.02   
1 1 1 39 12 20 o 4.0510  1.8173 ?       ?         0.66   0.54   0.02   -0.03  
1 1 1 39 12 21 o 2.9196  1.3474 ?       ?         0.05   0.15   -0.00  -0.00  
1 1 1 39 12 22 o 3.7260  0.8446 ?       ?         -0.09  -0.02  0.00   0.00   
1 1 1 39 12 23 o 2.4037  1.1472 ?       ?         0.15   -0.48  -0.01  -0.00  
1 1 1 39 13 0  o 36.332  0.3260 32.232  0.0000    2.11   0.00   0.00   0.00   
1 1 1 39 13 1  o 14.547  0.1275 14.498  -137.4000 0.34   0.27   -0.25  -0.00  
1 1 1 39 13 2  o 17.823  0.1257 16.534  127.900   -0.23  0.20   0.13   0.00   
1 1 1 39 13 3  o 6.0682  0.2751 7.9956  -157.6000 -3.83  -2.09  -1.63  -1.67  
1 1 1 39 13 4  o 6.9982  0.2630 6.9800  -113.1000 2.21   -1.84  -0.39  0.88   
1 1 1 39 13 5  o 9.3858  0.1574 9.9926  -94.6000  -0.04  -1.13  0.37   -0.23  
1 1 1 39 13 6  o 16.567  0.1436 16.832  -120.1000 -0.04  -0.61  -0.28  0.42   
1 1 1 39 13 7  o 14.455  0.1426 15.596  131.500   -0.04  -0.02  0.00   -0.00  
1 1 1 39 13 8  o 2.1574  1.0022 3.3018  -15.1000  -0.15  -0.56  0.06   -0.02  
1 1 1 39 13 9  o 6.6297  0.2372 6.0116  -130.3000 -0.26  -0.11  0.03   -0.06  
1 1 1 39 13 10 o 14.859  0.1513 13.377  19.700    0.29   0.13   0.08   0.03   
1 1 1 39 13 11 o 3.6597  0.3952 1.8886  128.000   -0.40  0.31   -0.10  0.06   
1 1 1 39 13 12 o 12.732  0.2201 14.030  -155.2000 0.83   0.09   -0.05  -0.08  
1 1 1 39 13 13 o 7.0395  0.2548 6.5885  -113.3000 -0.54  -0.51  0.36   0.41   
1 1 1 39 13 14 o 9.0419  0.2172 10.391  92.100    0.08   0.97   -0.19  0.40   
1 1 1 39 13 15 o 1.9372  0.6537 1.3674  -30.0000  -0.05  0.07   0.00   -0.01  
1 1 1 39 13 16 o 6.6000  0.3107 5.2711  167.600   -0.74  0.92   -0.16  0.10   
1 1 1 39 13 17 o 9.4441  0.2608 9.5131  10.800    -0.05  -1.00  -0.01  -0.10  
1 1 1 39 13 18 o 5.0366  0.4115 6.7450  32.800    0.42   0.76   -0.11  -0.03  
1 1 1 39 13 19 o 3.3400  0.6393 ?       ?         0.19   -0.17  -0.00  -0.01  
1 1 1 39 13 20 o 9.3867  0.3275 ?       ?         -0.42  -0.41  -0.01  0.01   
1 1 1 39 13 21 o 5.9950  0.5781 ?       ?         -0.14  -0.58  -0.01  -0.00  
1 1 1 39 13 22 o 6.1534  0.5831 ?       ?         -1.85  0.26   0.04   0.01   
1 1 1 39 13 23 o 4.1898  0.9786 ?       ?         -0.70  -0.11  0.00   0.00   
1 1 1 39 14 0  o 4.7749  0.2860 1.2318  -0.1000   0.05   0.00   0.00   0.00   
1 1 1 39 14 1  o 20.648  0.1507 20.097  -17.6000  0.61   0.15   -0.09  0.03   
1 1 1 39 14 2  o 31.717  0.2604 28.105  58.000    0.51   -0.41  -0.03  0.02   
1 1 1 39 14 3  o 9.5821  0.1357 9.7081  169.700   -0.32  -0.72  0.65   -0.01  
1 1 1 39 14 4  f 21.007  0.1361 20.304  4.5000    0.60   -0.49  -0.30  0.02   
1 1 1 39 14 5  o 14.820  0.1558 16.597  -67.7000  1.65   -1.95  -0.43  1.04   
1 1 1 39 14 6  o 24.204  0.1436 23.024  -8.6000   0.76   1.17   0.66   0.28   
1 1 1 39 14 7  o 11.505  0.1628 10.944  -157.0000 0.49   0.07   -0.09  0.09   
1 1 1 39 14 8  o 16.484  0.2305 18.043  -135.3000 -4.27  0.05   -1.37  1.51   
1 1 1 39 14 9  o 9.8092  0.1850 9.0445  38.400    0.29   -0.14  0.02   0.05   
1 1 1 39 14 10 o 11.107  0.3903 8.7480  -117.0000 -1.10  -0.79  0.00   -0.08  
1 1 1 39 14 11 f 6.1416  0.2706 7.1899  -141.2000 0.77   -0.53  -0.21  0.12   
1 1 1 39 14 12 f 15.116  0.1649 10.741  98.200    0.01   0.50   -0.07  -0.10  
1 1 1 39 14 13 o 12.977  0.1742 12.899  -65.7000  0.49   -1.08  0.23   -0.29  
1 1 1 39 14 14 o 5.8575  0.3087 5.0197  -122.9000 -0.66  -0.21  0.17   0.33   
1 1 1 39 14 15 o 6.3531  0.6020 4.9856  0.4000    0.33   0.91   0.04   -0.00  
1 1 1 39 14 16 o 12.805  0.3089 13.123  53.200    3.91   3.08   -1.58  -0.26  
1 1 1 39 14 17 o 3.8609  0.6864 4.2260  20.200    0.48   0.59   0.04   -0.02  
1 1 1 39 14 18 o 9.5787  0.3735 10.111  66.800    -0.79  1.47   -0.08  0.11   
1 1 1 39 14 19 o 3.0145  0.6241 ?       ?         0.47   -0.00  0.03   0.03   
1 1 1 39 14 20 o 0.0000  2.1080 ?       ?         0.02   0.38   -0.03  0.03   
1 1 1 39 14 21 o 5.2297  0.6610 ?       ?         0.11   0.22   -0.00  0.00   
1 1 1 39 14 22 o 9.0436  0.4212 ?       ?         1.37   -1.97  0.02   -0.06  
1 1 1 39 15 0  o 4.5166  0.3293 0.8193  -179.6000 0.01   0.00   0.00   0.00   
1 1 1 39 15 1  f 26.684  0.3480 23.871  -108.9000 -8.61  -1.91  -3.58  0.17   
1 1 1 39 15 2  o 2.5697  0.3504 2.7533  -13.7000  -0.07  -0.05  -0.07  0.03   
1 1 1 39 15 3  o 6.2594  0.2785 7.2851  -50.4000  3.40   -0.55  -1.05  0.60   
1 1 1 39 15 4  o 14.480  0.1352 15.428  109.000   0.76   -0.14  -0.02  0.53   
1 1 1 39 15 5  o 7.6148  0.1843 7.4030  125.100   -0.90  -0.52  -0.56  -0.24  
1 1 1 39 15 6  o 8.4225  0.1620 9.5391  -86.5000  0.27   -0.05  -0.09  -0.15  
1 1 1 39 15 7  o 9.4051  0.1620 6.9611  84.400    -0.25  -0.38  0.30   0.14   
1 1 1 39 15 8  f 7.2859  0.2083 5.5325  -137.5000 -0.06  -0.06  0.00   -0.00  
1 1 1 39 15 9  o 13.244  0.7059 12.801  -164.9000 -10.03 -1.33  -1.21  -0.64  
1 1 1 39 15 10 o 19.124  0.1456 15.585  102.300   -0.90  0.38   -0.16  -0.22  
1 1 1 39 15 11 o 14.171  0.2398 14.984  89.500    1.10   -1.18  0.16   0.18   
1 1 1 39 15 12 o 29.503  0.1671 29.224  -176.8000 -4.75  0.01   2.82   1.89   
1 1 1 39 15 13 o 7.0684  0.2580 5.6074  -39.9000  0.02   0.10   -0.00  0.01   
1 1 1 39 15 14 f 9.9449  0.2064 6.8984  121.200   -0.95  0.37   -0.17  -0.11  
1 1 1 39 15 15 o 10.030  0.2198 10.911  -64.7000  1.42   0.16   0.09   -0.32  
1 1 1 39 15 16 o 6.3259  0.3084 4.9075  -122.0000 -0.44  0.07   0.01   -0.05  
1 1 1 39 15 17 o 3.8395  1.0483 2.8897  -97.9000  0.54   -0.78  0.03   0.03   
1 1 1 39 15 18 o 3.3065  0.6047 3.4533  40.900    -0.02  0.06   -0.00  0.00   
1 1 1 39 15 19 o 4.5043  0.6711 ?       ?         0.01   -0.57  0.00   0.02   
1 1 1 39 15 20 o 9.3421  0.3593 ?       ?         3.83   -0.23  0.54   -0.05  
1 1 1 39 15 21 o 4.0288  0.7969 ?       ?         0.48   0.43   -0.00  0.02   
1 1 1 39 15 22 o 4.4642  0.7745 ?       ?         0.27   0.46   -0.01  -0.00  
1 1 1 39 16 0  o 5.9833  0.2639 3.6144  -0.3000   -0.18  0.00   0.00   0.00   
1 1 1 39 16 1  o 15.641  0.1287 15.548  3.9000    0.41   -0.61  0.27   0.06   
1 1 1 39 16 2  o 18.006  0.1227 14.912  160.800   0.29   -0.29  0.19   -0.04  
1 1 1 39 16 3  o 14.970  0.1401 15.136  -105.0000 0.53   -1.40  -0.69  1.76   
1 1 1 39 16 4  o 4.0347  0.2841 4.6528  60.200    3.09   0.53   -1.26  -0.84  
1 1 1 39 16 5  o 5.8467  0.2084 4.3477  -24.1000  -0.21  -0.01  -0.03  0.02   
1 1 1 39 16 6  o 9.4008  0.1636 8.7842  -81.6000  -1.03  -0.69  -0.65  -0.26  
1 1 1 39 16 7  o 14.305  0.1564 15.670  138.400   -2.12  0.78   -1.06  -0.34  
1 1 1 39 16 8  o 2.3958  0.4876 1.5721  -56.6000  -0.07  -0.01  -0.00  -0.00  
1 1 1 39 16 9  o 7.7886  0.6420 7.0654  -125.3000 -1.69  -3.99  0.34   -0.24  
1 1 1 39 16 10 o 9.4509  0.1882 11.379  -8.5000   -0.26  0.52   0.07   0.01   
1 1 1 39 16 11 o 10.531  0.2943 10.391  -78.0000  2.30   -2.63  0.66   0.78   
1 1 1 39 16 12 o 2.9839  0.5767 3.0303  -166.2000 -0.07  0.12   0.00   0.00   
1 1 1 39 16 13 o 10.103  0.2162 9.3533  -177.5000 0.35   -0.77  0.13   -0.07  
1 1 1 39 16 14 o 9.5515  0.2533 9.3317  102.000   -0.38  -0.69  0.07   -0.00  
1 1 1 39 16 15 o 4.1183  0.7358 3.1638  130.100   -0.86  -0.85  -0.04  -0.07  
1 1 1 39 16 16 o 3.9715  1.0556 3.0729  -132.7000 -0.69  -0.07  -0.02  0.01   
1 1 1 39 16 17 o 7.3816  0.3452 7.5012  -68.7000  0.14   0.13   0.00   -0.00  
1 1 1 39 16 18 o 13.492  0.2588 13.400  -153.4000 1.16   -0.12  0.04   0.06   
1 1 1 39 16 19 o 4.6416  0.5169 ?       ?         0.18   0.07   0.00   -0.00  
1 1 1 39 16 20 o 3.4096  0.7246 ?       ?         -0.21  -0.03  0.00   0.00   
1 1 1 39 16 21 o 7.8321  0.4692 ?       ?         1.26   -0.17  0.04   -0.01  
1 1 1 39 16 22 o 0.3041  0.8767 ?       ?         0.25   -0.15  0.00   -0.00  
1 1 1 39 17 0  o 1.5811  0.6208 0.4666  -178.5000 -0.03  0.00   0.00   0.00   
1 1 1 39 17 1  o 11.420  0.1177 13.260  13.800    0.34   0.67   1.13   0.90   
1 1 1 39 17 2  o 1.4016  0.4684 1.8674  -160.5000 0.05   -0.01  -0.01  -0.00  
1 1 1 39 17 3  o 14.739  0.1199 16.228  56.200    1.21   0.78   -0.75  -0.23  
1 1 1 39 17 4  o 13.283  0.1288 9.9674  63.400    0.12   0.84   -0.81  1.39   
1 1 1 39 17 5  o 11.761  0.4193 12.190  -106.5000 5.90   -9.66  0.94   3.80   
1 1 1 39 17 6  o 8.2037  0.1510 7.5745  133.400   0.07   -0.15  0.04   -0.06  
1 1 1 39 17 7  o 6.2576  0.3784 5.2521  179.900   -2.81  0.02   -0.52  0.17   
1 1 1 39 17 8  o 2.3652  0.4659 2.6336  158.800   0.16   -0.22  -0.00  0.03   
1 1 1 39 17 9  o 10.459  0.1707 9.9117  -9.7000   -0.12  -0.01  0.02   0.01   
1 1 1 39 17 10 o 18.397  0.1576 16.827  -24.6000  -0.30  1.12   0.19   -0.29  
1 1 1 39 17 11 o 17.771  0.1584 17.529  -2.9000   1.05   0.87   -0.34  -0.00  
1 1 1 39 17 12 o 3.6554  0.5682 3.1821  47.300    0.47   -0.05  -0.02  0.01   
1 1 1 39 17 13 o 10.869  0.2411 8.7616  165.900   -0.73  1.51   -0.14  0.30   
1 1 1 39 17 14 o 10.459  0.2063 10.154  164.100   -0.54  -0.97  0.02   0.48   
1 1 1 39 17 15 o 11.109  0.5717 10.787  -73.8000  1.34   -1.26  -0.05  0.06   
1 1 1 39 17 16 o 4.8267  0.4028 5.8205  -150.1000 0.63   -0.41  -0.08  -0.02  
1 1 1 39 17 17 o 0.9383  0.8608 0.8449  124.100   0.17   -0.11  0.02   0.00   
1 1 1 39 17 18 o 4.5615  0.4834 4.5256  -119.0000 0.26   -0.08  0.01   -0.00  
1 1 1 39 17 19 o 3.2275  0.9164 ?       ?         0.18   -0.60  0.01   -0.04  
1 1 1 39 17 20 o 0.9480  1.1155 ?       ?         0.32   -0.14  0.00   -0.02  
1 1 1 39 17 21 f 5.5191  0.6249 ?       ?         -1.21  -0.25  0.03   0.02   
1 1 1 39 17 22 o 3.5017  0.8268 ?       ?         0.42   0.22   0.01   0.00   
1 1 1 39 18 0  o 29.017  0.2172 26.485  -180.0000 -0.45  0.00   0.00   0.00   
1 1 1 39 18 1  o 14.777  0.1161 12.074  -92.1000  -0.43  0.09   0.43   -0.06  
1 1 1 39 18 2  o 9.1950  0.2252 6.6628  -125.9000 1.23   -2.85  0.40   0.72   
1 1 1 39 18 3  o 15.952  0.1251 14.841  -38.0000  0.54   -0.74  -1.16  -0.46  
1 1 1 39 18 4  o 4.0247  0.4377 4.8150  164.100   -3.18  0.12   -0.66  -0.06  
1 1 1 39 18 5  o 8.0339  0.1785 7.3106  -59.8000  0.33   -2.63  1.34   -0.27  
1 1 1 39 18 6  o 11.576  0.1572 8.8914  -174.4000 0.85   -0.61  0.15   -1.25  
1 1 1 39 18 7  o 12.202  0.1608 10.624  20.500    0.68   -0.98  -0.16  0.27   
1 1 1 39 18 8  o 10.853  0.1599 11.049  -98.1000  0.30   0.32   0.10   -0.02  
1 1 1 39 18 9  o 4.0194  0.3452 3.6799  -16.1000  0.13   0.13   0.04   -0.00  
1 1 1 39 18 10 o 8.3691  0.2000 7.6751  40.400    -0.15  0.21   -0.10  -0.04  
1 1 1 39 18 11 o 11.527  0.1760 14.814  -47.5000  -0.56  0.72   -0.28  0.14   
1 1 1 39 18 12 o 10.435  0.4090 9.4700  -39.4000  2.48   -0.76  -0.29  0.02   
1 1 1 39 18 13 o 13.350  0.1770 13.052  94.900    -0.66  2.77   0.56   -1.16  
1 1 1 39 18 14 o 6.5915  0.2944 6.5935  -6.4000   0.37   0.11   0.04   -0.02  
1 1 1 39 18 15 f 2.5114  0.5679 3.3080  134.100   -0.27  0.05   0.05   -0.02  
1 1 1 39 18 16 o 7.0045  0.3065 7.1338  -164.0000 0.13   -0.00  0.00   -0.00  
1 1 1 39 18 17 f 3.5390  0.5479 3.1468  165.200   0.07   0.01   0.00   0.00   
1 1 1 39 18 18 o 3.8648  0.5829 ?       ?         -0.15  0.21   0.01   -0.00  
1 1 1 39 18 19 o 5.6468  0.5080 ?       ?         -1.04  -1.41  -0.10  0.08   
1 1 1 39 18 20 o 0.0000  2.2794 ?       ?         -0.56  -0.26  0.03   0.03   
1 1 1 39 18 21 o 3.8280  0.8477 ?       ?         0.39   -0.50  -0.01  -0.01  
1 1 1 39 18 22 o 4.3422  0.7683 ?       ?         -0.78  -0.67  0.01   0.01   
1 1 1 39 19 1  o 10.550  0.3017 8.2375  122.900   -3.56  -0.44  -0.71  -0.43  
1 1 1 39 19 2  f 9.4656  0.3530 8.6582  -54.9000  -1.55  -1.42  0.02   -0.19  
1 1 1 39 19 3  o 9.7271  0.1261 9.8765  -41.3000  -0.20  -0.17  0.14   0.14   
1 1 1 39 19 4  f 8.1715  0.2378 10.457  119.000   -1.67  -1.09  -0.04  -0.39  
1 1 1 39 19 5  o 12.733  0.3320 10.333  22.300    -0.54  2.61   0.43   -0.04  
1 1 1 39 19 6  o 13.570  0.3252 13.215  115.900   3.85   0.17   -0.80  0.35   
1 1 1 39 19 7  o 2.7209  0.4321 3.8236  80.800    -0.75  0.44   -0.02  0.13   
1 1 1 39 19 8  o 7.1126  0.3169 6.9569  56.400    0.29   2.29   0.44   0.07   
1 1 1 39 19 9  o 11.355  0.1591 10.774  40.700    0.98   0.87   0.51   -0.34  
1 1 1 39 19 10 o 9.9147  0.1810 8.0528  -160.9000 -1.45  0.19   -0.16  0.64   
1 1 1 39 19 11 o 2.7693  0.7772 3.7823  -154.6000 -0.40  -0.51  -0.01  -0.05  
1 1 1 39 19 12 o 1.1390  0.7120 0.9800  -35.2000  0.14   0.00   0.03   0.04   
1 1 1 39 19 13 o 4.7859  0.3452 4.3180  -153.8000 -0.23  -0.07  -0.01  0.02   
1 1 1 39 19 14 f 5.0594  0.3571 2.9292  -59.3000  0.43   0.09   -0.02  0.02   
1 1 1 39 19 15 o 8.5039  0.2547 8.6916  -47.3000  0.67   -0.05  0.05   0.07   
1 1 1 39 19 16 o 5.1789  0.3874 5.5696  -155.7000 0.75   -0.43  -0.09  -0.03  
1 1 1 39 19 17 o 3.9619  0.5148 3.4210  -175.6000 -0.35  0.00   0.02   -0.00  
1 1 1 39 19 18 o 2.5358  0.7073 ?       ?         0.25   0.34   -0.03  0.02   
1 1 1 39 19 19 o 3.3028  0.7621 ?       ?         0.01   0.15   -0.00  -0.00  
1 1 1 39 19 20 o 4.4434  0.7137 ?       ?         -1.67  -0.06  0.07   -0.05  
1 1 1 39 19 21 o 8.6864  0.4552 ?       ?         0.45   1.39   -0.01  0.02   
1 1 1 39 19 22 o 2.5797  1.0778 ?       ?         -0.19  0.03   0.00   -0.00  
1 1 1 39 20 0  o 3.0000  0.4947 0.2502  178.300   0.07   0.00   0.00   0.00   
1 1 1 39 20 1  o 8.1527  0.3095 7.5218  -95.2000  2.76   -3.65  -0.06  1.58   
1 1 1 39 20 2  o 4.8505  0.2822 1.7236  -67.0000  0.77   0.20   -0.10  -0.17  
1 1 1 39 20 3  o 6.7437  0.1647 7.1566  115.300   0.43   0.28   -0.52  0.17   
1 1 1 39 20 4  o 6.5609  0.1539 5.7168  174.600   -0.60  -0.16  0.14   -0.77  
1 1 1 39 20 5  o 11.349  0.2249 14.249  12.400    3.03   -0.88  -0.46  1.09   
1 1 1 39 20 6  o 7.9616  0.5154 10.309  -132.8000 -0.96  -1.84  0.08   -0.07  
1 1 1 39 20 7  o 13.846  0.1462 13.933  -143.0000 0.30   -0.43  -0.06  -0.26  
1 1 1 39 20 8  o 16.786  0.1998 18.211  60.500    3.72   2.01   -2.10  -0.10  
1 1 1 39 20 9  o 10.921  0.3935 10.466  160.100   -3.26  -3.17  -0.31  -0.76  
1 1 1 39 20 10 o 7.5450  0.3436 7.7094  -122.4000 -0.32  -1.24  0.12   -0.01  
1 1 1 39 20 11 o 2.3833  0.8423 1.0801  172.700   -0.41  0.51   0.06   0.07   
1 1 1 39 20 12 o 4.4170  0.3580 3.0959  155.300   0.19   -0.25  -0.01  -0.09  
1 1 1 39 20 13 o 9.7043  0.2078 8.6167  23.500    0.45   0.32   0.05   -0.03  
1 1 1 39 20 14 o 15.337  0.5835 16.431  6.7000    2.99   4.21   0.50   -0.26  
1 1 1 39 20 15 o 8.1538  0.2596 7.8008  158.100   -0.60  0.49   0.10   -0.10  
1 1 1 39 20 16 o 0.0000  1.7932 ?       ?         -0.11  -0.13  -0.00  0.02   
1 1 1 39 20 17 o 6.0452  0.3832 5.8976  25.700    -0.48  0.38   0.04   -0.00  
1 1 1 39 20 18 f 4.9292  0.5017 ?       ?         -0.57  -0.20  0.03   0.01   
1 1 1 39 20 19 o 4.5980  0.6597 ?       ?         0.77   0.55   -0.01  0.03   
1 1 1 39 20 20 o 5.1887  1.2824 ?       ?         0.26   -0.14  -0.00  -0.00  
1 1 1 39 20 21 o 3.0689  1.4379 ?       ?         -0.35  -0.03  0.00   -0.00  
1 1 1 39 21 0  f 7.0356  0.3062 4.6199  -0.1000   0.08   0.00   0.00   0.00   
1 1 1 39 21 1  o 16.222  0.1899 15.036  21.100    -0.87  1.32   -0.12  0.32   
1 1 1 39 21 2  o 6.9581  0.2372 6.1110  -15.8000  1.97   -0.37  -0.59  -0.02  
1 1 1 39 21 3  o 7.5851  0.2044 5.9633  -54.3000  0.73   -0.42  0.40   -1.33  
1 1 1 39 21 4  o 11.640  0.1401 14.097  34.100    -0.09  -0.50  -0.29  -0.05  
1 1 1 39 21 5  o 17.521  0.3719 17.250  107.900   -6.83  6.81   -1.79  3.18   
1 1 1 39 21 6  o 8.6863  0.5257 7.8229  114.600   0.10   8.46   1.64   -0.39  
1 1 1 39 21 7  o 18.247  0.1690 17.573  -86.6000  1.04   -1.78  -0.36  0.48   
1 1 1 39 21 8  o 10.212  0.1596 9.5996  -137.3000 -0.17  0.02   0.02   0.03   
1 1 1 39 21 9  f 14.140  0.2141 13.398  -85.1000  0.47   -2.30  0.20   0.55   
1 1 1 39 21 10 o 3.4425  0.4130 4.1539  111.200   0.10   0.64   0.10   0.06   
1 1 1 39 21 11 o 3.1569  0.7195 2.4490  -38.9000  0.26   0.13   -0.00  -0.01  
1 1 1 39 21 12 f 7.6524  0.2479 6.5397  26.900    0.41   1.60   0.33   0.18   
1 1 1 39 21 13 o 5.8487  0.3061 3.9234  110.500   0.48   -0.23  -0.07  -0.05  
1 1 1 39 21 14 o 3.9737  0.4262 4.9641  -78.7000  0.28   -0.04  0.00   -0.03  
1 1 1 39 21 15 o 5.9096  0.3716 5.0219  88.900    0.36   0.11   0.00   -0.01  
1 1 1 39 21 16 o 8.8391  0.2875 8.3993  131.100   0.38   0.38   -0.03  0.01   
1 1 1 39 21 17 o 4.4887  0.4922 3.6551  -121.0000 0.49   -0.12  0.02   0.02   
1 1 1 39 21 18 o 5.5943  0.4722 ?       ?         0.44   -0.47  -0.02  -0.01  
1 1 1 39 21 19 o 7.6992  0.6016 ?       ?         1.77   0.16   0.02   0.07   
1 1 1 39 21 20 o 5.7503  0.5894 ?       ?         -0.97  -0.45  0.03   0.01   
1 1 1 39 21 21 o 2.9680  1.3914 ?       ?         0.57   0.22   0.00   0.01   
1 1 1 39 22 0  o 27.002  0.3600 29.379  -0.0000   2.04   0.00   0.00   0.00   
1 1 1 39 22 1  o 6.9600  0.2197 6.0119  -91.8000  1.37   1.17   0.22   -0.52  
1 1 1 39 22 2  o 13.732  0.3452 12.029  111.300   -3.54  0.30   -0.62  -0.21  
1 1 1 39 22 3  o 10.489  0.3542 11.614  82.300    -3.75  5.04   -0.24  2.12   
1 1 1 39 22 4  o 4.9097  0.2215 6.5967  133.800   -0.19  -0.40  0.11   -0.01  
1 1 1 39 22 5  o 18.874  0.1506 20.016  -134.9000 -0.20  -0.77  -0.28  0.08   
1 1 1 39 22 6  o 5.0657  0.2826 2.9348  -21.8000  0.81   -0.34  -0.04  0.10   
1 1 1 39 22 7  o 3.1943  0.3359 0.6229  136.100   0.37   -0.64  -0.00  0.15   
1 1 1 39 22 8  o 9.7154  0.1735 8.0813  133.400   -0.66  2.51   1.16   -0.18  
1 1 1 39 22 9  o 3.1960  0.4007 1.5272  -12.1000  0.12   -0.10  0.02   0.01   
1 1 1 39 22 10 o 6.3679  0.2440 7.6230  -87.2000  -0.21  -0.12  0.01   -0.01  
1 1 1 39 22 11 o 9.3945  0.1905 11.172  174.100   -1.07  -0.51  0.01   0.79   
1 1 1 39 22 12 o 11.738  0.1881 11.818  117.700   -0.90  -1.41  -0.23  -0.24  
1 1 1 39 22 13 o 7.1069  0.2573 8.6446  3.8000    0.91   -0.30  -0.11  -0.13  
1 1 1 39 22 14 o 8.7885  0.2396 8.7068  -58.5000  0.25   -1.46  -0.05  0.26   
1 1 1 39 22 15 f 0.0000  1.7673 ?       ?         0.32   0.01   -0.02  0.01   
1 1 1 39 22 16 o 3.6805  0.5597 3.3883  -16.7000  -0.27  0.05   0.01   -0.01  
1 1 1 39 22 17 o 3.1080  0.6208 ?       ?         0.00   -0.03  -0.00  0.00   
1 1 1 39 22 18 o 6.4378  0.4609 ?       ?         0.95   -0.79  0.04   -0.03  
1 1 1 39 22 19 o 4.2498  0.7073 ?       ?         0.56   0.19   0.01   0.01   
1 1 1 39 22 20 o 6.6200  0.5263 ?       ?         1.15   0.16   0.02   -0.01  
1 1 1 39 22 21 o 7.1759  0.8457 ?       ?         -0.98  1.14   -0.02  0.00   
1 1 1 39 23 0  o 13.795  0.2071 18.027  0.0000    0.08   0.00   0.00   0.00   
1 1 1 39 23 1  o 11.298  0.3076 10.031  -19.8000  2.37   -3.76  -0.01  1.26   
1 1 1 39 23 2  o 2.5574  0.4592 1.2179  -75.3000  0.64   -0.47  -0.07  0.09   
1 1 1 39 23 3  f 7.7550  0.3896 7.8953  89.000    1.18   1.86   0.16   -0.17  
1 1 1 39 23 4  o 7.8401  0.1944 7.5554  -9.3000   0.31   -0.07  0.19   0.01   
1 1 1 39 23 5  o 5.6619  0.2759 4.1166  -104.1000 -0.06  -2.67  0.73   -0.35  
1 1 1 39 23 6  o 10.835  0.3317 12.167  -34.8000  2.45   -0.47  -0.32  -0.01  
1 1 1 39 23 7  o 8.9986  0.1624 8.4936  -161.3000 -0.58  -0.41  0.03   -0.09  
1 1 1 39 23 8  o 3.6804  0.3345 3.6762  177.000   -0.11  -0.04  0.02   0.02   
1 1 1 39 23 9  o 11.905  0.1621 10.548  162.800   -1.03  0.33   -0.14  -0.33  
1 1 1 39 23 10 o 5.9525  0.2637 5.3285  -3.4000   -0.09  0.29   0.00   0.01   
1 1 1 39 23 11 o 5.5269  0.2743 5.2047  31.800    0.35   0.89   0.25   0.18   
1 1 1 39 23 12 o 12.921  0.1842 11.158  -55.9000  -1.47  -0.37  0.36   -0.27  
1 1 1 39 23 13 o 18.015  0.1640 17.179  137.100   -1.15  0.94   -0.12  -0.14  
1 1 1 39 23 14 f 3.5789  0.7557 1.5542  68.600    0.25   -0.15  -0.01  0.00   
1 1 1 39 23 15 o 3.2558  0.5265 2.7955  128.100   -0.24  0.13   0.02   -0.01  
1 1 1 39 23 16 o 5.1723  0.4717 5.0560  -50.8000  -0.69  -0.06  0.05   -0.01  
1 1 1 39 23 17 o 6.6257  0.3948 ?       ?         -0.31  -1.22  -0.10  0.05   
1 1 1 39 23 18 o 10.183  0.3662 ?       ?         -0.27  -1.17  -0.01  0.03   
1 1 1 39 23 19 o 4.2099  0.7178 ?       ?         -0.14  0.04   0.00   -0.00  
1 1 1 39 23 20 o 4.8994  0.6904 ?       ?         1.92   -0.14  0.06   -0.04  
1 1 1 39 23 21 o 2.0425  1.1311 ?       ?         -0.08  -0.34  -0.00  0.00   
1 1 1 39 24 0  o 2.8810  0.4331 1.9232  180.000   -0.04  0.00   0.00   0.00   
1 1 1 39 24 1  o 11.544  0.1410 9.9699  95.600    0.39   -0.60  0.14   -0.55  
1 1 1 39 24 2  o 6.2568  0.1822 5.4076  -89.1000  -0.28  -0.12  0.08   -0.10  
1 1 1 39 24 3  o 1.7735  0.5378 1.8004  108.900   -0.12  0.24   0.08   0.01   
1 1 1 39 24 4  o 8.0676  0.4787 10.372  -34.8000  7.90   -1.30  -2.13  0.06   
1 1 1 39 24 5  o 13.142  0.3145 12.774  -170.1000 -2.53  -4.55  1.45   -0.68  
1 1 1 39 24 6  o 10.704  0.1416 8.7446  -90.9000  -0.13  -1.15  0.24   0.15   
1 1 1 39 24 7  o 16.472  0.1229 16.741  168.900   -0.36  0.31   0.08   -0.12  
1 1 1 39 24 8  o 11.330  0.1505 10.013  -56.3000  0.93   -0.33  -0.28  -0.21  
1 1 1 39 24 9  o 5.7311  0.2490 5.1660  74.800    0.31   0.05   -0.02  0.03   
1 1 1 39 24 10 o 4.5734  0.3070 6.3137  78.500    0.08   -0.08  0.00   0.00   
1 1 1 39 24 11 o 10.181  0.2258 8.6522  30.200    0.38   1.95   0.34   0.32   
1 1 1 39 24 12 o 8.7439  0.5603 9.7369  103.000   -5.35  -0.61  -0.57  -0.65  
1 1 1 39 24 13 o 1.9628  0.6323 3.2122  -164.9000 0.04   -0.10  -0.00  -0.01  
1 1 1 39 24 14 o 0.4740  0.7559 1.0364  -149.0000 -0.18  -0.19  0.05   0.02   
1 1 1 39 24 15 o 6.2535  0.4236 5.8833  -123.6000 0.40   -0.61  -0.03  0.02   
1 1 1 39 24 16 o 7.6934  0.2940 8.6581  48.000    0.19   1.11   -0.07  0.13   
1 1 1 39 24 17 o 3.6890  0.6422 ?       ?         0.12   0.00   0.00   -0.00  
1 1 1 39 24 18 f 5.4191  0.7460 ?       ?         0.51   -0.13  -0.00  -0.01  
1 1 1 39 24 19 o 5.0968  0.5998 ?       ?         -0.17  0.17   0.00   -0.00  
1 1 1 39 24 20 o 4.7875  1.1524 ?       ?         0.01   0.50   -0.00  -0.00  
1 1 1 39 24 21 o 5.9130  0.6732 ?       ?         0.88   -0.29  0.00   0.00   
1 1 1 39 25 0  o 12.170  0.3513 11.673  -0.0000   0.82   0.00   0.00   0.00   
1 1 1 39 25 1  f 5.1004  0.7376 5.4840  109.700   0.09   0.99   0.05   0.01   
1 1 1 39 25 2  o 13.975  0.5106 13.814  -104.0000 -0.75  -3.43  0.29   -0.01  
1 1 1 39 25 3  o 7.5377  0.1985 6.4165  -117.8000 -0.15  -0.85  0.11   0.02   
1 1 1 39 25 4  o 4.5054  0.6581 3.5283  -119.8000 0.68   0.48   -0.01  -0.02  
1 1 1 39 25 5  o 10.339  0.1673 9.1906  -149.4000 -1.32  -0.70  -0.93  1.72   
1 1 1 39 25 6  o 12.511  0.3581 12.870  -58.7000  -2.21  -6.21  0.78   -1.45  
1 1 1 39 25 7  o 5.3134  0.2004 4.9970  173.000   -1.00  0.54   -0.59  0.06   
1 1 1 39 25 8  o 7.0896  0.3502 5.9517  -126.1000 0.73   -2.05  0.12   0.30   
1 1 1 39 25 9  o 6.0520  0.3304 5.6662  -61.8000  -1.06  -1.33  0.17   -0.17  
1 1 1 39 25 10 f 6.6651  0.2981 7.9681  -78.0000  -0.59  -1.49  0.26   0.01   
1 1 1 39 25 11 o 7.6806  0.2266 8.7746  66.800    0.41   0.51   -0.12  -0.01  
1 1 1 39 25 12 o 6.6000  0.2625 4.7839  115.700   -0.23  0.59   0.05   -0.04  
1 1 1 39 25 13 o 7.7364  0.2482 8.2516  80.100    1.21   0.60   -0.02  0.40   
1 1 1 39 25 14 f 5.4226  0.3779 6.3194  40.900    0.02   0.16   -0.00  0.00   
1 1 1 39 25 15 o 8.3676  0.2839 9.4125  -7.8000   0.28   0.03   0.01   -0.00  
1 1 1 39 25 16 o 2.7916  0.6801 ?       ?         0.05   -0.26  -0.01  0.01   
1 1 1 39 25 17 o 4.2068  0.6917 ?       ?         0.30   0.40   -0.01  0.00   
1 1 1 39 25 18 o 1.9566  1.0749 ?       ?         0.16   0.01   0.00   0.00   
1 1 1 39 25 19 o 3.7350  1.2143 ?       ?         0.80   -0.66  -0.04  -0.02  
1 1 1 39 25 20 o 4.4787  0.8578 ?       ?         0.45   0.05   0.00   -0.00  
1 1 1 39 26 0  o 0.0000  2.7568 4.0068  -180.0000 -0.07  0.00   0.00   0.00   
1 1 1 39 26 1  o 5.1192  0.4081 5.8696  -149.2000 -0.15  -0.09  0.01   -0.01  
1 1 1 39 26 2  o 8.2583  0.3032 7.5059  -98.5000  -0.82  -0.78  -0.39  -0.03  
1 1 1 39 26 3  o 6.3081  0.2130 5.6805  176.400   -0.78  0.75   0.44   0.17   
1 1 1 39 26 4  o 15.495  0.3904 14.036  -88.5000  4.08   1.69   -0.56  -0.20  
1 1 1 39 26 5  o 5.0234  0.2402 3.1733  124.600   -0.29  -0.35  0.02   -0.03  
1 1 1 39 26 6  o 5.0798  0.2032 4.8381  164.000   0.73   -0.14  -0.15  -0.05  
1 1 1 39 26 7  o 3.6165  0.3162 2.6541  160.500   0.07   -0.15  0.00   0.01   
1 1 1 39 26 8  o 4.6534  0.2493 5.0281  -44.2000  0.04   -0.59  -0.30  -0.43  
1 1 1 39 26 9  o 4.2838  0.3059 5.1379  -36.3000  0.05   -0.27  0.01   0.02   
1 1 1 39 26 10 o 4.6480  0.3846 4.6799  134.100   -0.01  0.68   0.03   0.03   
1 1 1 39 26 11 o 3.9879  0.6711 4.4205  -16.0000  -0.32  1.82   0.11   0.14   
1 1 1 39 26 12 o 4.2442  0.3674 5.3373  21.700    -0.10  0.30   -0.01  0.02   
1 1 1 39 26 13 o 7.8221  0.3566 6.5074  -40.7000  -0.21  1.40   0.09   -0.10  
1 1 1 39 26 14 o 3.3799  0.7282 2.4987  66.400    -0.37  0.17   -0.01  -0.00  
1 1 1 39 26 15 o 7.8981  0.2867 6.0761  -41.4000  1.43   0.30   -0.03  0.16   
1 1 1 39 26 16 o 7.4466  0.3244 ?       ?         0.04   1.23   -0.10  0.01   
1 1 1 39 26 17 o 6.8288  0.4500 ?       ?         1.79   -0.38  0.06   -0.08  
1 1 1 39 26 18 o 4.4393  0.6222 ?       ?         -0.11  -0.10  0.00   0.00   
1 1 1 39 26 19 o 3.2028  0.8596 ?       ?         -0.04  -0.34  -0.00  -0.00  
1 1 1 39 26 20 o 3.0341  1.4160 ?       ?         -0.46  0.33   0.01   -0.00  
1 1 1 39 27 0  o 13.996  0.3620 13.429  -0.0000   0.28   0.00   0.00   0.00   
1 1 1 39 27 1  o 8.3045  0.3033 8.2651  -129.9000 -0.62  -0.47  0.22   0.35   
1 1 1 39 27 2  o 16.826  0.4311 16.126  47.300    5.86   0.45   -1.13  0.78   
1 1 1 39 27 3  o 5.0722  0.4383 6.6521  145.500   -0.08  0.79   0.10   -0.13  
1 1 1 39 27 4  o 8.0820  0.2018 8.7499  -10.2000  -0.26  0.91   -0.81  -0.23  
1 1 1 39 27 5  o 9.1722  0.3379 9.2643  -142.4000 0.84   -5.27  1.04   0.90   
1 1 1 39 27 6  o 8.7933  0.1862 10.329  168.800   0.64   0.54   -0.25  0.06   
1 1 1 39 27 7  o 11.562  0.3241 11.888  -32.2000  0.43   -0.30  -0.01  0.01   
1 1 1 39 27 8  o 4.8102  0.2317 5.4461  -168.0000 0.38   0.03   0.20   -0.03  
1 1 1 39 27 9  o 5.3943  0.4370 5.3225  -35.2000  -0.84  -0.61  -0.04  -0.04  
1 1 1 39 27 10 o 12.040  0.1602 10.866  174.500   -1.96  -1.71  -0.93  1.70   
1 1 1 39 27 11 o 7.2237  0.2231 7.4668  -0.8000   -0.06  -0.10  -0.00  0.00   
1 1 1 39 27 12 o 7.3139  0.2544 7.0709  -153.4000 -0.55  -0.49  0.01   0.13   
1 1 1 39 27 13 o 5.0671  0.3801 4.9887  -135.1000 -0.46  0.12   -0.01  -0.02  
1 1 1 39 27 14 o 6.0935  0.3365 5.1553  -82.5000  -0.28  0.30   -0.01  -0.03  
1 1 1 39 27 15 o 4.9087  0.3985 5.5246  -18.2000  0.57   -0.40  -0.01  -0.07  
1 1 1 39 27 16 o 6.8762  0.4011 ?       ?         -0.42  -1.27  -0.08  -0.02  
1 1 1 39 27 17 o 6.7774  0.5152 ?       ?         0.47   -0.10  0.01   0.00   
1 1 1 39 27 18 o 3.6496  0.7521 ?       ?         0.15   -0.13  0.00   -0.00  
1 1 1 39 27 19 o 0.9340  1.1706 ?       ?         0.21   0.06   0.00   -0.00  
1 1 1 39 27 20 o 2.8333  1.3410 ?       ?         -0.20  -0.14  0.00   0.00   
1 1 1 39 28 0  o 8.9443  0.3906 8.2190  180.000   -0.16  0.00   0.00   0.00   
1 1 1 39 28 1  f 8.7013  0.3185 6.0385  -129.9000 0.67   -0.42  -0.12  -0.02  
1 1 1 39 28 2  o 5.9305  0.4393 4.6358  -41.8000  1.32   -0.03  -0.14  -0.17  
1 1 1 39 28 3  o 7.8127  0.3240 7.0336  158.900   -0.50  -0.23  0.14   0.08   
1 1 1 39 28 4  o 12.337  0.2772 11.770  127.800   -2.57  0.20   -0.37  -0.53  
1 1 1 39 28 5  o 3.8381  0.7187 2.7634  108.300   0.55   0.66   0.04   -0.05  
1 1 1 39 28 6  o 11.669  0.1675 10.670  169.700   -1.35  -1.27  0.56   -0.16  
1 1 1 39 28 7  o 16.191  0.1664 16.219  32.100    2.66   -0.28  0.83   0.73   
1 1 1 39 28 8  o 2.3105  0.3709 2.7864  -46.5000  0.23   0.10   0.02   0.10   
1 1 1 39 28 9  o 5.8149  0.2345 3.6376  -43.1000  0.01   0.02   -0.00  0.00   
1 1 1 39 28 10 o 4.1970  0.3263 3.0815  -119.8000 -0.24  0.17   -0.03  -0.02  
1 1 1 39 28 11 o 5.0426  0.3130 5.5364  157.400   -0.17  -0.01  0.00   -0.01  
1 1 1 39 28 12 o 8.0104  0.2553 6.9596  -94.8000  0.53   -0.70  -0.07  0.03   
1 1 1 39 28 13 o 7.4527  0.2791 6.7405  -146.3000 0.26   0.44   0.02   0.02   
1 1 1 39 28 14 o 3.9069  0.4738 4.3470  -179.6000 0.25   -0.14  -0.00  -0.01  
1 1 1 39 28 15 o 0.0000  1.8618 ?       ?         -0.40  -0.01  0.04   -0.01  
1 1 1 39 28 16 o 6.4735  0.5825 ?       ?         0.80   -1.14  -0.05  0.01   
1 1 1 39 28 17 o 2.8404  0.9256 ?       ?         -0.07  -0.23  -0.00  0.00   
1 1 1 39 28 18 o 7.1224  0.5825 ?       ?         -0.91  0.68   -0.01  -0.02  
1 1 1 39 28 19 o 4.6506  1.1371 ?       ?         0.36   0.33   0.00   0.00   
1 1 1 39 29 0  o 5.0596  0.5815 3.5181  180.000   -0.31  0.00   0.00   0.00   
1 1 1 39 29 1  o 2.6284  0.8115 2.9204  -152.2000 -0.11  0.12   -0.01  0.00   
1 1 1 39 29 2  o 5.2300  0.4341 4.5889  -80.5000  0.81   -0.36  -0.11  -0.02  
1 1 1 39 29 3  f 5.4705  0.7877 6.1462  -28.7000  0.88   0.73   0.02   -0.06  
1 1 1 39 29 4  o 6.8913  0.7678 5.6818  57.200    -1.45  0.91   0.02   0.10   
1 1 1 39 29 5  f 16.262  0.5300 14.324  126.300   -2.57  2.19   -0.21  0.18   
1 1 1 39 29 6  o 1.9624  0.6475 1.4808  -112.3000 -0.09  0.08   0.01   0.00   
1 1 1 39 29 7  o 3.9086  0.6878 3.3786  -107.0000 -3.61  -0.63  -0.43  -0.02  
1 1 1 39 29 8  o 10.034  0.5246 9.6986  158.100   -3.82  -0.88  -0.20  -0.27  
1 1 1 39 29 9  o 6.6527  0.1900 7.0552  -150.7000 -0.26  -0.01  0.02   0.03   
1 1 1 39 29 10 o 8.5111  0.2523 9.6893  -62.7000  -0.99  0.67   -0.13  0.01   
1 1 1 39 29 11 o 6.3346  0.3242 5.0816  -20.6000  0.76   0.48   -0.06  -0.01  
1 1 1 39 29 12 o 5.4562  0.3073 6.0686  -42.9000  0.83   -0.56  0.20   -0.15  
1 1 1 39 29 13 o 7.4810  0.2846 6.9746  -73.3000  -1.27  -0.48  -0.00  0.21   
1 1 1 39 29 14 o 7.2389  0.3461 8.2200  44.500    0.18   -0.90  -0.02  0.04   
1 1 1 39 29 15 o 3.5265  0.5883 ?       ?         -0.01  -0.11  -0.00  0.00   
1 1 1 39 29 16 o 4.1964  0.6153 ?       ?         -0.59  -0.16  -0.00  0.01   
1 1 1 39 29 17 o 5.5521  0.5767 ?       ?         0.40   0.40   -0.00  0.00   
1 1 1 39 29 18 o 4.0729  1.0107 ?       ?         0.59   -0.03  0.00   0.01   
1 1 1 39 29 19 o 1.8164  1.3903 ?       ?         0.13   0.63   -0.01  0.00   
1 1 1 39 30 0  f 1.1832  1.1444 1.3991  0.0000    0.08   0.00   0.00   0.00   
1 1 1 39 30 1  o 7.2965  0.3755 6.6105  -13.3000  -0.44  0.38   -0.06  -0.04  
1 1 1 39 30 2  o 16.988  0.2197 14.094  122.200   -1.42  0.35   0.26   -0.13  
1 1 1 39 30 3  o 6.7362  0.3611 5.1145  14.200    1.57   0.78   0.97   0.04   
1 1 1 39 30 4  o 7.0125  0.3849 8.7648  -89.5000  -0.54  -0.34  0.07   -0.01  
1 1 1 39 30 5  o 7.6972  0.3411 6.2726  -57.9000  1.40   -0.01  0.48   -0.14  
1 1 1 39 30 6  o 6.6328  0.3433 6.6954  -16.0000  0.33   1.16   0.12   0.06   
1 1 1 39 30 7  o 7.5582  0.1735 8.4089  120.600   -0.53  0.58   -0.17  -0.29  
1 1 1 39 30 8  o 2.2755  0.5867 2.1556  159.300   0.24   0.31   -0.01  -0.02  
1 1 1 39 30 9  o 2.1257  0.4321 2.5753  56.200    0.03   -0.06  0.00   -0.00  
1 1 1 39 30 10 o 1.5697  0.6120 2.0432  156.100   0.06   0.17   -0.01  -0.02  
1 1 1 39 30 11 o 9.0889  0.4106 8.9887  -117.8000 0.70   -3.53  0.13   0.49   
1 1 1 39 30 12 o 5.5574  0.6258 6.2924  -57.0000  2.03   -1.06  -0.19  0.02   
1 1 1 39 30 13 o 6.8495  0.2936 7.4396  -31.0000  -0.52  0.03   0.03   -0.02  
1 1 1 39 30 14 o 5.6020  0.3355 ?       ?         0.33   -0.99  -0.07  0.03   
1 1 1 39 30 15 o 5.6398  0.6005 ?       ?         -0.58  0.23   -0.01  -0.01  
1 1 1 39 30 16 o 7.1166  0.5451 ?       ?         0.67   -0.68  -0.01  -0.01  
1 1 1 39 30 17 o 3.5819  0.8871 ?       ?         0.25   -0.07  0.00   -0.00  
1 1 1 39 30 18 o 4.9362  0.9071 ?       ?         0.18   0.85   0.00   0.00   
1 1 1 39 30 19 o 3.9879  1.2222 ?       ?         0.43   0.53   0.00   -0.00  
1 1 1 39 31 0  o 4.6690  0.6683 7.2525  180.000   -0.27  0.00   0.00   0.00   
1 1 1 39 31 1  o 8.6380  0.4196 8.3202  -22.4000  1.15   -1.08  0.11   0.11   
1 1 1 39 31 2  o 13.929  0.2398 13.814  -96.6000  -0.52  -2.34  -0.50  0.61   
1 1 1 39 31 3  o 8.4659  0.5991 8.6163  144.400   0.09   2.51   0.17   0.16   
1 1 1 39 31 4  o 8.1846  0.6931 7.9871  -170.8000 -0.64  -0.37  -0.02  -0.01  
1 1 1 39 31 5  o 7.0296  0.3573 7.3411  70.800    0.60   0.16   0.02   0.08   
1 1 1 39 31 6  o 4.1537  0.8921 3.2846  158.000   0.04   0.19   0.00   0.00   
1 1 1 39 31 7  f 4.0450  0.4905 5.2331  -180.0000 -0.23  -0.49  -0.03  0.07   
1 1 1 39 31 8  o 8.2385  0.2304 6.5495  -26.6000  -0.12  -1.74  0.10   -0.27  
1 1 1 39 31 9  o 6.5822  0.3706 5.4372  78.300    0.98   2.15   0.03   -0.24  
1 1 1 39 31 10 o 5.8663  0.5383 6.0196  44.000    0.25   0.59   0.01   -0.00  
1 1 1 39 31 11 o 2.4212  0.5282 1.9329  162.300   -0.03  -0.26  -0.02  -0.02  
1 1 1 39 31 12 o 3.7996  0.4284 3.9748  19.400    0.13   0.37   -0.01  -0.01  
1 1 1 39 31 13 o 2.6617  0.7497 2.3179  -17.6000  0.18   -0.42  -0.01  0.02   
1 1 1 39 31 14 o 1.3281  0.9735 ?       ?         0.12   0.13   0.00   0.00   
1 1 1 39 31 15 o 6.3051  0.4836 ?       ?         -0.35  0.93   -0.02  0.00   
1 1 1 39 31 16 f 2.3361  0.9303 ?       ?         0.18   0.24   -0.00  0.00   
1 1 1 39 31 17 o 4.1950  0.9355 ?       ?         -0.36  -0.50  0.00   0.01   
1 1 1 39 31 18 o 0.0000  3.1024 ?       ?         -0.12  0.38   -0.00  -0.00  
1 1 1 39 31 19 o 5.1380  1.8529 ?       ?         -0.99  1.06   -0.00  0.01   
1 1 1 39 32 0  o 0.0000  2.8810 2.4439  0.0000    0.07   0.00   0.00   0.00   
1 1 1 39 32 1  o 2.0230  0.9711 3.5691  -146.5000 -0.39  0.06   -0.03  -0.02  
1 1 1 39 32 2  f 2.6589  1.2201 2.5684  169.900   -0.72  0.48   -0.11  0.04   
1 1 1 39 32 3  o 2.8260  0.6917 2.8808  55.800    0.03   -0.07  -0.00  0.00   
1 1 1 39 32 4  o 16.529  0.3918 15.764  168.900   -3.80  -2.44  -0.71  0.22   
1 1 1 39 32 5  o 8.2521  0.4302 8.4144  119.300   0.75   2.06   -0.04  -0.25  
1 1 1 39 32 6  o 4.0702  0.5514 5.9925  -150.5000 0.34   0.03   0.02   0.01   
1 1 1 39 32 7  o 10.824  0.2026 12.613  175.300   -1.80  0.32   0.37   0.11   
1 1 1 39 32 8  o 10.153  0.1893 10.971  94.200    0.64   1.23   -0.09  -0.14  
1 1 1 39 32 9  o 8.8397  0.2599 9.9681  -53.0000  -0.18  -2.44  0.11   -0.41  
1 1 1 39 32 10 o 4.1894  0.3053 3.7421  -83.2000  -0.26  -0.02  0.03   0.00   
1 1 1 39 32 11 o 2.8117  0.9332 2.8028  -123.0000 -0.53  -0.06  -0.02  0.01   
1 1 1 39 32 12 o 4.5080  0.3804 4.5871  -84.5000  -0.44  0.01   0.03   0.00   
1 1 1 39 32 13 o 5.1226  0.4080 ?       ?         0.36   -1.27  -0.02  -0.10  
1 1 1 39 32 14 o 1.8008  0.9787 ?       ?         -0.21  -0.01  0.00   0.00   
1 1 1 39 32 15 o 3.3694  0.7469 ?       ?         -0.22  -0.38  -0.00  0.01   
1 1 1 39 32 16 o 1.0102  1.2096 ?       ?         0.10   -0.18  -0.00  -0.00  
1 1 1 39 32 17 o 5.5996  1.5724 ?       ?         -0.46  0.77   0.00   -0.00  
1 1 1 39 32 18 o 3.8080  1.7765 ?       ?         -0.04  -0.48  -0.00  -0.00  
1 1 1 39 33 0  o 7.0781  0.4817 5.6900  180.000   0.70   0.00   0.00   0.00   
1 1 1 39 33 1  o 4.2849  0.5677 3.3688  21.600    0.14   -0.44  0.01   -0.03  
1 1 1 39 33 2  o 7.8587  0.6493 8.3068  -56.7000  -0.43  -1.55  0.09   0.03   
1 1 1 39 33 3  o 2.2913  0.8079 2.7875  -16.5000  0.15   -0.04  0.00   -0.01  
1 1 1 39 33 4  o 3.5576  0.8484 3.8174  153.000   0.10   0.00   -0.00  -0.00  
1 1 1 39 33 5  o 6.1462  0.4455 6.2741  157.800   -0.11  -0.02  -0.00  0.00   
1 1 1 39 33 6  o 5.7698  0.7751 6.1884  80.300    0.22   0.67   0.02   0.01   
1 1 1 39 33 7  o 1.6629  0.7425 0.8592  -19.9000  0.08   0.19   0.01   0.02   
1 1 1 39 33 8  o 6.6722  0.3144 7.4017  167.800   -2.52  1.15   0.23   0.52   
1 1 1 39 33 9  o 10.742  0.1449 11.183  99.400    -0.44  -0.61  0.04   0.05   
1 1 1 39 33 10 o 5.9767  0.2547 5.6273  -167.9000 -0.25  0.72   -0.09  0.03   
1 1 1 39 33 11 o 2.3426  0.6099 2.0925  132.000   0.07   0.09   -0.00  -0.00  
1 1 1 39 33 12 o 3.4993  0.6408 3.8689  101.900   -0.15  1.10   0.03   -0.08  
1 1 1 39 33 13 o 4.2969  0.8398 ?       ?         0.55   0.76   -0.03  -0.01  
1 1 1 39 33 14 o 4.6194  0.5744 ?       ?         -0.06  0.30   -0.00  0.00   
1 1 1 39 33 15 o 3.4011  0.9680 ?       ?         -0.11  0.10   -0.00  -0.00  
1 1 1 39 33 16 o 6.2634  1.3863 ?       ?         0.16   0.37   0.00   0.00   
1 1 1 39 33 17 o 4.6260  1.5256 ?       ?         -0.85  -0.10  0.00   0.00   
1 1 1 39 34 0  o 6.7231  0.4650 6.8675  180.000   0.09   0.00   0.00   0.00   
1 1 1 39 34 1  o 8.9098  0.3155 8.5017  -4.4000   0.86   -0.51  0.10   -0.07  
1 1 1 39 34 2  o 3.0498  0.6501 3.4671  113.700   0.03   0.07   -0.00  -0.00  
1 1 1 39 34 3  f 3.8937  1.7389 2.8624  -124.9000 -0.77  -1.53  0.11   -0.06  
1 1 1 39 34 4  f 4.2238  0.5241 4.3508  124.200   -0.16  0.19   -0.00  -0.01  
1 1 1 39 34 5  o 3.3294  0.6572 3.0165  -63.6000  -0.23  -0.05  0.01   0.01   
1 1 1 39 34 6  o 4.6022  0.5397 5.5260  172.300   -0.47  -0.22  -0.01  0.02   
1 1 1 39 34 7  o 4.7825  0.5048 3.6634  171.800   -0.09  -0.48  0.00   0.02   
1 1 1 39 34 8  o 8.8629  0.3417 7.7314  -37.4000  1.96   -1.05  -0.23  -0.11  
1 1 1 39 34 9  o 5.4715  0.2795 4.9666  -24.0000  -0.21  -0.06  0.01   -0.00  
1 1 1 39 34 10 o 7.4690  0.2497 7.9444  141.300   0.04   0.72   -0.03  -0.04  
1 1 1 39 34 11 o 1.9440  0.9507 2.2737  -97.9000  0.40   0.54   0.06   0.00   
1 1 1 39 34 12 o 4.7286  0.4305 ?       ?         -0.08  0.01   0.00   -0.00  
1 1 1 39 34 13 o 7.2869  0.4793 ?       ?         -0.57  -0.19  0.01   -0.00  
1 1 1 39 34 14 o 4.0057  0.7343 ?       ?         0.05   -0.28  -0.00  0.00   
1 1 1 39 34 15 o 5.3589  1.7038 ?       ?         0.39   1.36   0.01   0.02   
1 1 1 39 34 16 o 5.0100  0.9636 ?       ?         0.39   1.39   0.00   0.00   
1 1 1 39 35 0  o 4.4045  0.7719 3.5618  180.000   0.05   0.00   0.00   0.00   
1 1 1 39 35 1  o 4.5026  0.4731 5.7212  -98.0000  -0.48  -0.85  -0.05  0.14   
1 1 1 39 35 2  o 3.7967  1.3807 4.3545  113.700   -1.10  0.73   -0.09  0.04   
1 1 1 39 35 3  o 5.5384  0.6075 5.0248  91.300    0.02   0.60   0.00   -0.02  
1 1 1 39 35 4  o 6.2884  0.3840 7.5584  130.300   -0.84  0.84   -0.11  -0.02  
1 1 1 39 35 5  o 5.7870  0.8159 7.3459  153.700   -0.29  -0.15  -0.00  0.00   
1 1 1 39 35 6  o 3.1561  0.6580 2.1055  147.900   -0.29  0.17   -0.01  -0.01  
1 1 1 39 35 7  o 9.0208  0.5362 7.7398  107.000   1.56   1.91   -0.18  -0.03  
1 1 1 39 35 8  o 9.3576  0.7945 9.0657  123.200   -0.56  0.00   0.00   0.00   
1 1 1 39 35 9  o 4.9588  0.3323 6.0900  10.300    0.67   0.39   -0.04  0.07   
1 1 1 39 35 10 o 7.5366  0.3121 8.4171  -82.3000  0.35   -2.37  -0.40  0.01   
1 1 1 39 35 11 o 4.1496  0.4153 4.8786  -10.0000  -0.17  -0.26  -0.00  0.01   
1 1 1 39 35 12 o 1.8703  1.0587 ?       ?         -0.25  -0.02  0.00   0.00   
1 1 1 39 35 13 o 12.521  1.3987 ?       ?         -0.62  6.46   -0.10  0.16   
1 1 1 39 35 14 o 4.1230  1.9691 ?       ?         -0.27  0.03   -0.00  -0.00  
1 1 1 39 36 0  o 0.0000  2.8284 0.1252  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 39 36 1  o 4.0430  0.5319 1.9790  -84.1000  0.78   -0.70  0.01   -0.16  
1 1 1 39 36 2  o 7.2895  0.3393 8.0549  75.300    -0.26  -0.62  -0.02  0.04   
1 1 1 39 36 3  o 8.3107  0.3285 8.9980  169.700   -2.39  1.01   0.50   0.05   
1 1 1 39 36 4  o 5.6209  0.5305 5.2785  153.400   -0.90  -0.83  0.08   -0.02  
1 1 1 39 36 5  o 2.5025  0.7922 3.7102  98.800    -0.54  0.27   0.02   -0.05  
1 1 1 39 36 6  o 6.6334  0.4858 5.9484  -114.9000 -0.60  0.83   0.03   -0.03  
1 1 1 39 36 7  o 2.6702  1.3025 1.1554  -1.6000   0.40   -0.19  0.01   0.00   
1 1 1 39 36 8  o 6.0099  0.7939 4.9336  -127.5000 0.53   -0.65  -0.01  -0.01  
1 1 1 39 36 9  o 6.1940  0.2497 6.8066  178.000   -1.07  -0.64  0.14   -0.03  
1 1 1 39 36 10 o 0.0000  1.7153 ?       ?         0.24   -0.20  0.02   -0.03  
1 1 1 39 36 11 o 8.1404  0.4599 ?       ?         1.18   0.62   0.01   0.03   
1 1 1 39 36 12 o 5.1743  0.6051 ?       ?         0.90   -0.14  0.02   -0.00  
1 1 1 39 37 0  o 4.3932  0.6990 4.6459  -180.0000 -0.03  0.00   0.00   0.00   
1 1 1 39 37 1  o 4.2424  0.5804 3.8656  170.300   -0.06  0.36   -0.00  -0.01  
1 1 1 39 37 2  o 8.9665  0.3391 9.3805  55.700    0.88   -0.46  0.05   -0.03  
1 1 1 39 37 3  o 4.0722  0.5545 6.2158  123.200   -0.12  0.09   0.00   -0.00  
1 1 1 39 37 4  o 3.9790  0.5722 3.4731  51.700    -0.55  0.57   -0.02  -0.06  
1 1 1 39 37 5  o 2.1550  1.1608 0.9987  79.100    -0.15  -0.28  -0.01  0.00   
1 1 1 39 37 6  o 9.4819  0.4453 11.886  -111.8000 -1.17  -0.89  0.05   0.04   
1 1 1 39 37 7  o 4.9890  2.1923 2.7921  153.800   -0.34  0.88   0.02   -0.02  
1 1 1 39 37 8  o 3.8869  1.7978 3.1332  103.700   0.20   0.33   -0.00  0.00   
1 1 1 39 37 9  o 3.0214  0.5146 3.6887  97.800    -0.42  -0.25  0.01   0.02   
1 1 1 39 37 10 o 4.3359  0.6110 ?       ?         0.12   0.03   0.00   0.00   
1 1 1 39 38 0  o 1.9494  1.0023 3.1266  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 39 38 1  o 4.9190  0.5279 3.1040  -107.2000 0.26   0.00   0.00   0.00   
1 1 1 39 38 2  o 8.0109  0.7534 8.3121  160.900   -1.17  -0.11  0.01   0.02   
1 1 1 39 38 3  o 5.5132  0.9338 5.2843  -39.5000  1.17   0.40   0.03   -0.02  
1 1 1 39 38 4  o 3.9197  1.8156 1.9725  -95.2000  0.37   0.41   -0.02  -0.00  
1 1 1 39 38 5  o 2.6150  1.2611 2.0527  28.300    0.19   -0.27  0.00   -0.01  
1 1 1 39 38 6  f 5.6236  0.9843 5.7371  -134.5000 -0.13  0.01   0.00   0.00   
1 1 1 39 38 7  o 8.8818  0.5836 8.6188  -67.1000  0.13   -1.25  -0.02  0.00   
1 1 1 39 38 8  o 3.3205  1.5885 2.2456  -52.2000  -0.05  0.58   -0.01  0.00   
1 1 1 39 38 9  o 3.7864  0.6298 ?       ?         0.39   0.55   -0.01  0.01   
1 1 1 39 39 0  o 3.9370  1.6082 2.5010  -0.0000   -0.11  0.00   0.00   0.00   
1 1 1 39 39 1  o 3.9497  1.2965 3.4691  90.000    0.00   0.29   0.00   0.00   
1 1 1 39 39 2  f 13.428  0.4606 13.574  180.000   -0.78  0.00   0.00   0.00   
1 1 1 39 39 3  o 2.9665  1.2835 0.4829  90.000    0.00   0.09   0.00   0.00   
1 1 1 39 39 4  o 6.1482  0.9782 4.3393  0.0000    -0.13  0.00   0.00   0.00   
1 1 1 39 39 5  o 3.2558  1.1943 1.7475  90.000    0.00   0.05   0.00   0.00   
1 1 1 39 39 6  o 4.6260  1.2079 5.0504  0.0000    0.10   0.00   0.00   0.00   
1 1 1 39 39 7  o 3.5355  1.3035 2.6477  -90.0000  -0.00  -0.36  0.00   0.00   
1 1 1 39 39 8  o 3.1145  1.5760 ?       ?         0.35   0.00   0.00   0.00   
1 1 1 40 0  0  o 26.775  0.2809 25.618  -0.1000   0.36   0.00   0.00   0.00   
1 1 1 40 0  1  o 6.9714  0.2558 7.2134  135.000   0.03   -0.03  0.00   0.00   
1 1 1 40 0  2  o 16.873  0.1847 10.702  89.900    -0.00  -0.08  0.00   0.00   
1 1 1 40 0  3  o 6.5115  0.2725 2.1748  -135.2000 -0.06  -0.06  0.00   0.00   
1 1 1 40 0  4  o 4.4497  0.3911 12.977  -179.9000 -0.09  0.00   0.00   0.00   
1 1 1 40 0  5  o 7.7782  0.2551 1.9748  134.900   0.15   -0.15  0.00   0.00   
1 1 1 40 0  6  o 6.6558  0.2947 2.4268  -89.6000  -0.00  -0.12  0.00   0.00   
1 1 1 40 0  7  o 5.3944  0.3801 2.0491  45.200    0.13   0.13   0.00   0.00   
1 1 1 40 0  8  f 16.316  0.1998 11.463  -0.0000   -0.06  0.00   0.00   0.00   
1 1 1 40 0  9  o 2.7749  0.6200 2.6966  -45.0000  -0.02  0.02   0.00   0.00   
1 1 1 40 0  10 o 2.9326  0.6324 0.4557  89.900    0.00   0.07   0.00   0.00   
1 1 1 40 0  11 o 1.5492  0.8826 0.6443  45.000    0.02   0.02   0.00   0.00   
1 1 1 40 0  12 o 16.917  0.2275 14.438  180.000   -0.39  0.00   0.00   0.00   
1 1 1 40 0  13 o 7.9937  0.3359 5.3399  -45.0000  -0.09  0.09   0.00   0.00   
1 1 1 40 0  14 f 15.255  0.2610 15.293  -90.0000  -0.00  -0.73  0.00   0.00   
1 1 1 40 0  15 o 9.2141  0.3399 3.5341  45.000    -0.37  -0.37  0.00   0.00   
1 1 1 40 0  16 o 7.4900  0.3504 7.2434  -0.0000   -0.01  0.00   0.00   0.00   
1 1 1 40 0  17 o 6.0745  0.4651 4.1728  -45.0000  -0.15  0.15   0.00   0.00   
1 1 1 40 0  18 o 2.0000  0.9409 0.0328  90.000    0.00   0.01   0.00   0.00   
1 1 1 40 0  19 o 18.160  0.2659 17.882  -135.0000 -0.17  -0.17  0.00   0.00   
1 1 1 40 0  20 o 1.7029  1.0534 ?       ?         0.03   0.00   0.00   0.00   
1 1 1 40 0  21 o 1.3038  1.1439 ?       ?         0.05   -0.05  0.00   0.00   
1 1 1 40 0  22 o 0.0000  3.3912 ?       ?         -0.00  -0.03  0.00   0.00   
1 1 1 40 0  23 o 13.027  0.7466 ?       ?         -0.43  -0.43  0.00   0.00   
1 1 1 40 1  0  o 7.6092  0.2295 8.8156  -0.0000   -0.20  0.00   0.00   0.00   
1 1 1 40 1  1  f 14.257  0.2313 13.447  130.300   -2.37  2.41   -0.20  0.94   
1 1 1 40 1  2  o 28.698  0.3764 32.798  -52.2000  10.47  -2.22  -4.31  0.35   
1 1 1 40 1  3  o 14.544  0.1215 19.705  22.000    0.08   -0.05  -0.03  -0.03  
1 1 1 40 1  4  o 9.7013  0.1520 9.0101  -118.8000 0.27   -1.08  0.93   -0.17  
1 1 1 40 1  5  f 18.806  0.2534 20.015  145.200   -1.79  0.24   -0.23  0.19   
1 1 1 40 1  6  o 12.059  0.3476 11.761  172.000   -6.29  1.61   -1.59  1.39   
1 1 1 40 1  7  o 6.7999  0.2153 4.6429  158.700   0.18   0.32   0.08   -0.04  
1 1 1 40 1  8  o 17.668  0.1367 18.380  69.200    -0.09  0.14   -0.03  -0.04  
1 1 1 40 1  9  o 8.0086  0.3741 7.5180  12.000    1.52   2.82   0.20   -0.63  
1 1 1 40 1  10 o 9.7290  0.4465 8.8285  5.5000    3.05   2.03   -0.38  -0.44  
1 1 1 40 1  11 o 10.234  0.1908 8.8858  133.600   0.43   0.60   -0.40  -0.16  
1 1 1 40 1  12 o 13.933  0.1663 13.091  -105.7000 0.19   0.07   -0.01  0.03   
1 1 1 40 1  13 o 9.0741  0.2157 6.9018  -80.1000  -0.11  0.14   0.01   -0.04  
1 1 1 40 1  14 f 9.4917  0.3629 8.5240  66.600    -1.74  0.38   -0.21  -0.04  
1 1 1 40 1  15 o 14.843  0.1692 13.788  -4.6000   2.31   -0.68  1.38   -1.16  
1 1 1 40 1  16 o 11.579  0.2163 12.124  -79.4000  0.50   -0.53  0.07   0.00   
1 1 1 40 1  17 o 3.4122  0.5067 2.6719  57.000    0.08   -0.18  0.01   -0.01  
1 1 1 40 1  18 o 4.5600  0.4362 3.9185  -30.7000  0.11   -0.49  0.02   -0.02  
1 1 1 40 1  19 o 5.1547  0.4020 4.9391  -161.3000 -0.45  -0.33  0.03   -0.02  
1 1 1 40 1  20 o 3.3204  0.6000 ?       ?         -0.30  -0.19  0.02   0.01   
1 1 1 40 1  21 o 7.5754  0.3999 ?       ?         1.47   -0.64  0.12   -0.00  
1 1 1 40 1  22 o 3.9247  0.7975 ?       ?         0.39   0.36   -0.01  0.01   
1 1 1 40 1  23 o 7.6599  0.7922 ?       ?         -0.90  -0.83  -0.00  0.01   
1 1 1 40 2  0  o 10.700  0.1882 12.740  0.0000    0.04   0.00   0.00   0.00   
1 1 1 40 2  1  o 5.8741  0.2078 2.3291  -21.2000  0.87   -1.71  0.53   1.47   
1 1 1 40 2  2  f 3.9519  0.2831 0.4747  -21.6000  0.04   0.01   0.00   -0.01  
1 1 1 40 2  3  o 14.722  0.1306 19.653  176.000   -0.20  0.12   -0.15  -0.11  
1 1 1 40 2  4  o 12.858  0.1411 11.801  -16.5000  -0.69  -0.35  -0.41  -0.04  
1 1 1 40 2  5  o 15.688  0.1929 17.583  41.400    1.21   1.27   0.24   -0.43  
1 1 1 40 2  6  o 10.725  0.3492 11.853  25.700    1.76   5.36   1.62   -0.72  
1 1 1 40 2  7  o 7.8914  0.1979 8.5280  175.700   -0.76  -1.44  0.67   -0.42  
1 1 1 40 2  8  o 7.5205  0.2223 5.1346  -100.2000 0.86   -0.45  -0.02  0.35   
1 1 1 40 2  9  f 6.8477  0.6450 6.0013  127.000   -1.97  1.54   -0.06  0.15   
1 1 1 40 2  10 o 7.3663  0.5575 2.6507  -11.6000  -0.70  -6.75  1.62   0.05   
1 1 1 40 2  11 o 22.131  0.1536 22.688  171.900   -1.52  -0.05  0.80   -0.51  
1 1 1 40 2  12 o 9.6695  0.2049 10.273  -79.4000  0.09   0.11   -0.01  0.03   
1 1 1 40 2  13 o 18.890  0.1565 19.487  -78.8000  0.04   0.09   -0.00  0.00   
1 1 1 40 2  14 o 9.1491  0.5379 11.104  -121.7000 1.30   -2.41  0.04   0.25   
1 1 1 40 2  15 o 4.4581  0.3993 6.2288  154.100   0.28   0.27   0.07   -0.01  
1 1 1 40 2  16 o 3.8014  0.4714 4.2102  132.400   -0.01  -0.16  0.00   0.01   
1 1 1 40 2  17 o 5.4224  0.5175 4.4168  -50.3000  -0.25  -0.72  0.00   -0.04  
1 1 1 40 2  18 o 10.835  0.3143 10.577  27.000    0.93   2.48   0.37   0.34   
1 1 1 40 2  19 o 2.5308  1.1759 2.2913  -177.9000 -0.00  -0.31  0.01   -0.01  
1 1 1 40 2  20 o 3.9073  0.5444 ?       ?         0.09   0.09   -0.00  0.00   
1 1 1 40 2  21 o 5.5932  0.4841 ?       ?         0.36   -0.50  -0.01  -0.02  
1 1 1 40 2  22 f 3.7474  0.8526 ?       ?         -0.05  -0.84  -0.02  -0.03  
1 1 1 40 2  23 o 5.5183  1.8126 ?       ?         0.09   -0.29  0.00   -0.00  
1 1 1 40 3  0  o 7.0356  0.2734 11.786  180.000   -0.29  0.00   0.00   0.00   
1 1 1 40 3  1  o 5.3311  0.2117 3.7552  -49.2000  -0.36  -0.04  -0.38  0.22   
1 1 1 40 3  2  o 22.827  0.1384 22.061  -104.2000 -2.71  -0.28  -2.12  1.39   
1 1 1 40 3  3  o 11.079  0.1410 16.511  -143.6000 0.14   -2.48  1.49   0.73   
1 1 1 40 3  4  f 9.4834  0.4140 11.253  -39.7000  3.35   -5.78  1.11   1.40   
1 1 1 40 3  5  o 9.2816  0.6891 6.9066  -99.3000  -2.60  -10.38 1.57   -0.67  
1 1 1 40 3  6  o 9.2363  0.1811 4.6088  -144.0000 -0.25  -0.59  -0.71  -0.81  
1 1 1 40 3  7  o 11.137  0.1728 11.409  -97.2000  -0.35  -0.73  0.01   -0.21  
1 1 1 40 3  8  o 7.3494  0.2972 8.2602  -70.4000  0.37   1.19   0.13   -0.05  
1 1 1 40 3  9  o 24.219  0.7353 23.962  144.800   -2.65  0.68   -0.08  0.02   
1 1 1 40 3  10 o 15.861  0.1562 15.477  -62.9000  0.19   -0.49  0.03   -0.17  
1 1 1 40 3  11 o 4.6199  0.3382 2.8548  118.600   -0.23  0.61   0.03   0.09   
1 1 1 40 3  12 o 8.3739  0.2210 7.4500  86.300    -0.07  0.45   0.06   -0.03  
1 1 1 40 3  13 o 3.8849  0.4121 4.8152  71.700    0.07   0.16   0.03   0.03   
1 1 1 40 3  14 o 6.2620  0.3016 7.3088  23.200    1.35   0.22   -0.24  0.11   
1 1 1 40 3  15 o 6.7697  0.2873 6.9953  -77.4000  0.11   0.29   -0.07  0.02   
1 1 1 40 3  16 o 7.3237  0.2812 7.2806  -155.9000 -0.12  0.16   0.01   -0.01  
1 1 1 40 3  17 o 7.6249  0.2899 7.8223  16.800    0.43   -0.02  0.06   0.00   
1 1 1 40 3  18 o 6.5938  0.6127 4.7974  -157.3000 -0.59  0.89   -0.02  0.05   
1 1 1 40 3  19 o 6.6367  0.3313 7.2969  -159.7000 0.88   -0.82  -0.14  -0.24  
1 1 1 40 3  20 o 2.4393  1.1806 ?       ?         -0.11  -0.14  -0.00  -0.00  
1 1 1 40 3  21 o 6.8596  0.7987 ?       ?         -0.79  -1.55  -0.05  -0.06  
1 1 1 40 3  22 o 8.2337  0.9560 ?       ?         -3.22  1.18   0.09   0.16   
1 1 1 40 3  23 o 9.2499  3.6792 ?       ?         0.89   -1.65  -0.00  0.04   
1 1 1 40 4  0  o 3.8601  0.4079 4.9257  0.1000    0.01   0.00   0.00   0.00   
1 1 1 40 4  1  o 5.6471  0.6312 5.0021  -109.5000 1.05   -5.29  0.57   0.27   
1 1 1 40 4  2  o 6.1368  0.3028 7.3593  -133.6000 2.26   2.02   0.01   -0.74  
1 1 1 40 4  3  o 18.928  0.3025 21.816  -126.4000 5.00   -8.58  1.38   5.30   
1 1 1 40 4  4  o 4.8983  0.2475 4.7808  68.500    -0.33  -0.41  0.12   -0.16  
1 1 1 40 4  5  o 20.690  0.3132 20.778  -162.8000 -5.00  -5.97  2.08   -3.24  
1 1 1 40 4  6  o 12.111  0.1453 12.027  132.800   -0.31  -0.10  -0.01  -0.07  
1 1 1 40 4  7  f 19.342  0.2032 20.703  78.800    -0.20  1.16   0.16   -0.04  
1 1 1 40 4  8  o 9.0581  0.1791 12.737  -19.4000  -0.31  0.51   -0.02  0.14   
1 1 1 40 4  9  o 16.090  0.4961 15.860  5.7000    6.72   3.39   -0.50  -1.39  
1 1 1 40 4  10 o 9.6554  0.1894 12.124  89.400    -0.34  1.15   0.71   -0.89  
1 1 1 40 4  11 o 11.048  0.1850 7.3136  -44.0000  0.04   0.46   0.04   0.11   
1 1 1 40 4  12 o 3.7093  0.5748 1.6114  47.100    0.06   0.60   0.03   0.00   
1 1 1 40 4  13 o 5.1494  0.3688 2.2766  177.800   0.57   0.24   -0.01  -0.05  
1 1 1 40 4  14 o 4.7108  0.4195 4.5335  122.000   -0.05  0.58   0.04   -0.02  
1 1 1 40 4  15 o 13.550  0.1822 13.629  54.900    0.76   0.39   0.21   0.03   
1 1 1 40 4  16 o 3.6617  0.5086 2.9386  -54.6000  0.21   -0.17  -0.01  0.01   
1 1 1 40 4  17 o 3.0495  0.6005 3.0302  -17.1000  0.16   0.23   0.02   -0.00  
1 1 1 40 4  18 o 7.3005  0.3059 8.0409  -27.9000  0.88   -0.39  -0.07  -0.13  
1 1 1 40 4  19 o 7.4263  0.3079 7.4895  68.900    0.05   0.29   -0.02  0.01   
1 1 1 40 4  20 o 1.2228  0.8930 ?       ?         -0.39  -0.08  0.05   0.04   
1 1 1 40 4  21 o 3.5408  0.6157 ?       ?         -0.00  -0.09  -0.00  0.00   
1 1 1 40 4  22 o 8.0605  0.5016 ?       ?         2.03   1.18   0.06   0.09   
1 1 1 40 4  23 o 0.0000  3.2449 ?       ?         0.22   0.28   -0.00  0.00   
1 1 1 40 5  0  o 20.172  0.1842 18.976  -0.0000   0.60   0.00   0.00   0.00   
1 1 1 40 5  1  o 21.921  0.1976 19.215  82.000    -3.80  1.56   -0.69  2.01   
1 1 1 40 5  2  o 8.3162  0.3305 2.0468  -79.6000  7.02   -3.12  -2.55  2.18   
1 1 1 40 5  3  o 8.9267  0.1532 9.4053  -82.6000  0.20   -0.59  0.61   -0.17  
1 1 1 40 5  4  o 11.608  0.1528 15.156  110.800   -0.26  0.37   -0.63  -0.74  
1 1 1 40 5  5  o 9.7437  0.1726 10.316  54.400    0.23   -0.07  -0.03  -0.00  
1 1 1 40 5  6  o 5.3561  0.3645 6.7877  -38.1000  -2.00  0.67   -0.38  0.18   
1 1 1 40 5  7  o 9.1390  0.1664 4.9364  46.300    0.23   0.19   0.01   -0.02  
1 1 1 40 5  8  o 8.3498  0.2014 9.1294  -72.0000  -0.47  -2.00  0.81   0.00   
1 1 1 40 5  9  o 11.697  0.4213 11.225  -53.3000  2.34   -3.14  0.39   0.52   
1 1 1 40 5  10 o 11.182  0.1907 10.557  -98.6000  -0.27  -0.29  -0.02  -0.02  
1 1 1 40 5  11 o 8.6461  0.3756 10.403  153.500   -1.86  -0.78  -0.10  -0.26  
1 1 1 40 5  12 o 10.072  0.2052 8.5313  154.700   0.04   0.28   0.02   0.03   
1 1 1 40 5  13 o 8.3161  0.2295 7.2580  28.700    1.23   -0.14  -0.18  0.27   
1 1 1 40 5  14 o 9.5691  0.2577 10.045  -101.0000 -1.23  0.49   0.01   0.22   
1 1 1 40 5  15 o 4.7904  0.3974 6.2615  73.900    -0.20  0.42   -0.06  -0.14  
1 1 1 40 5  16 o 4.6445  0.3885 3.1983  -45.7000  0.21   -0.28  -0.05  -0.06  
1 1 1 40 5  17 o 6.9647  0.4394 8.2519  -139.6000 1.24   -0.68  -0.14  0.01   
1 1 1 40 5  18 o 9.4248  0.2542 9.2316  126.500   0.11   -0.23  0.00   -0.01  
1 1 1 40 5  19 o 6.3104  0.3423 5.9448  -52.5000  1.06   -0.21  0.25   -0.05  
1 1 1 40 5  20 o 4.7623  0.4831 ?       ?         -0.36  -0.24  0.00   0.02   
1 1 1 40 5  21 o 4.1355  0.5881 ?       ?         -0.31  -0.81  -0.02  0.04   
1 1 1 40 5  22 o 6.9336  0.5881 ?       ?         -0.85  -0.20  0.00   0.01   
1 1 1 40 5  23 o 4.4269  1.1570 ?       ?         0.65   -0.73  -0.01  -0.01  
1 1 1 40 6  0  o 23.990  0.2025 23.175  0.0000    0.01   0.00   0.00   0.00   
1 1 1 40 6  1  o 6.8528  0.3120 7.0715  89.800    -2.29  2.33   -0.07  0.72   
1 1 1 40 6  2  o 11.500  0.1482 10.764  167.800   -1.21  -0.06  -0.76  -0.60  
1 1 1 40 6  3  o 15.033  0.1315 11.521  152.400   -0.13  0.48   0.02   0.14   
1 1 1 40 6  4  o 17.590  0.2611 18.138  -92.1000  3.13   -2.07  -0.89  0.88   
1 1 1 40 6  5  o 29.474  0.1526 27.009  74.400    0.54   0.86   -0.24  -0.17  
1 1 1 40 6  6  f 5.2306  0.2523 2.5736  113.000   -0.51  -1.05  0.35   -0.22  
1 1 1 40 6  7  f 9.1356  0.2219 6.3082  -2.3000   3.74   -0.83  -1.91  0.18   
1 1 1 40 6  8  o 7.7132  0.2019 9.8538  -18.4000  1.17   0.63   -0.48  -0.22  
1 1 1 40 6  9  o 4.9345  0.2966 7.2922  -48.7000  0.11   -0.10  -0.03  -0.00  
1 1 1 40 6  10 o 6.8269  0.3157 7.1766  0.3000    0.99   0.96   0.07   -0.18  
1 1 1 40 6  11 o 11.354  0.2982 10.795  19.000    0.13   -0.61  0.02   0.03   
1 1 1 40 6  12 o 13.264  0.1731 12.643  -167.4000 -0.49  -0.50  -0.33  0.30   
1 1 1 40 6  13 o 8.4073  0.2298 8.1062  104.900   0.12   -0.14  -0.01  0.00   
1 1 1 40 6  14 o 10.370  0.2031 8.9315  -5.2000   1.32   0.38   0.49   -0.53  
1 1 1 40 6  15 o 5.2101  0.3572 3.1726  160.300   -0.57  0.55   -0.09  0.06   
1 1 1 40 6  16 o 9.3516  0.2383 8.9105  -35.5000  0.43   0.25   0.02   0.09   
1 1 1 40 6  17 o 3.5289  0.5124 3.1319  87.000    0.17   -0.27  0.03   -0.02  
1 1 1 40 6  18 o 10.991  0.2257 12.335  178.200   -1.28  0.01   0.10   -0.17  
1 1 1 40 6  19 o 3.5219  0.5560 3.9590  163.800   -0.13  0.30   -0.02  -0.01  
1 1 1 40 6  20 o 4.2332  0.5615 ?       ?         -0.12  0.34   -0.01  -0.00  
1 1 1 40 6  21 o 4.7083  0.5236 ?       ?         0.16   -0.20  0.00   -0.00  
1 1 1 40 6  22 o 3.9949  0.7952 ?       ?         -0.38  -0.51  -0.00  0.01   
1 1 1 40 6  23 o 6.7423  0.8456 ?       ?         -0.72  -0.53  0.01   -0.00  
1 1 1 40 7  0  o 9.4604  0.2572 9.0503  180.000   -0.02  0.00   0.00   0.00   
1 1 1 40 7  1  o 13.963  0.1238 14.001  -23.0000  0.55   0.45   -0.37  -0.27  
1 1 1 40 7  2  o 27.376  0.1793 23.375  -112.6000 2.32   1.63   -1.34  -0.38  
1 1 1 40 7  3  o 12.497  0.4122 12.218  -94.6000  -6.89  -10.56 1.31   -5.22  
1 1 1 40 7  4  o 8.0683  0.2503 7.8910  -113.5000 -0.19  -0.22  0.00   -0.01  
1 1 1 40 7  5  o 15.282  0.6142 11.899  57.300    3.97   -6.09  0.52   0.78   
1 1 1 40 7  6  o 19.092  0.3155 18.698  9.4000    4.86   -1.29  -0.91  1.11   
1 1 1 40 7  7  o 19.079  0.7039 20.719  47.500    18.21  6.96   -3.13  -1.97  
1 1 1 40 7  8  o 6.3750  0.2362 5.3995  -101.4000 0.84   0.09   -0.16  -0.15  
1 1 1 40 7  9  o 11.572  0.2376 13.251  -111.2000 2.25   -1.97  -0.76  0.83   
1 1 1 40 7  10 o 12.501  0.1965 12.515  -122.6000 1.40   -0.87  -0.40  0.17   
1 1 1 40 7  11 o 6.7151  0.2921 3.8162  124.400   -0.63  0.57   0.04   0.09   
1 1 1 40 7  12 o 14.775  0.5327 13.431  -97.8000  2.03   -2.52  -0.02  0.23   
1 1 1 40 7  13 o 8.9022  0.2161 8.5886  -126.8000 -0.05  0.35   0.01   0.02   
1 1 1 40 7  14 o 5.3656  0.3270 4.3952  17.100    -0.49  -0.35  -0.06  -0.03  
1 1 1 40 7  15 o 4.0060  0.4440 2.9410  23.300    -0.07  -0.37  -0.10  0.02   
1 1 1 40 7  16 o 7.1169  0.2931 6.3864  -76.0000  -0.06  -0.18  -0.01  0.01   
1 1 1 40 7  17 o 11.856  0.2016 13.304  169.900   -1.49  -0.16  0.22   -0.26  
1 1 1 40 7  18 o 11.567  0.2181 12.975  48.800    0.57   0.26   0.05   0.02   
1 1 1 40 7  19 o 6.2001  0.3723 6.3762  -147.2000 -0.44  -0.24  0.03   -0.01  
1 1 1 40 7  20 o 2.6907  1.0400 ?       ?         0.35   -0.13  -0.01  -0.02  
1 1 1 40 7  21 o 3.9129  0.6780 ?       ?         -0.14  0.37   -0.01  -0.01  
1 1 1 40 7  22 o 2.6996  1.0207 ?       ?         -0.11  -0.13  0.00   0.00   
1 1 1 40 7  23 o 4.4415  1.1391 ?       ?         1.05   0.54   0.01   0.00   
1 1 1 40 8  0  o 28.841  0.2424 30.330  -180.0000 0.40   0.00   0.00   0.00   
1 1 1 40 8  1  o 10.630  0.4585 8.1861  -139.1000 -5.07  -12.70 3.40   -4.28  
1 1 1 40 8  2  o 21.768  0.1394 19.957  -148.6000 -2.76  0.36   -0.84  2.20   
1 1 1 40 8  3  o 7.1819  0.2470 3.1750  -31.5000  2.61   -1.94  -0.09  1.42   
1 1 1 40 8  4  o 20.450  0.1321 21.932  -168.4000 -0.42  0.60   0.14   0.06   
1 1 1 40 8  5  o 14.584  0.1385 14.323  121.200   1.34   0.29   -0.62  0.17   
1 1 1 40 8  6  o 13.347  0.1412 13.310  -20.5000  -0.12  -0.09  0.00   -0.01  
1 1 1 40 8  7  o 7.3697  0.2041 8.2916  -11.8000  0.41   1.19   0.84   -0.02  
1 1 1 40 8  8  o 7.2638  0.4365 6.2332  -62.6000  0.77   -1.72  0.08   0.15   
1 1 1 40 8  9  o 8.4118  0.5080 10.589  -131.3000 0.43   -3.82  0.47   0.24   
1 1 1 40 8  10 o 8.1652  0.2118 10.078  -3.3000   0.53   -1.51  0.64   -0.01  
1 1 1 40 8  11 o 4.2666  0.3497 4.0529  75.600    0.27   -0.39  -0.03  0.08   
1 1 1 40 8  12 o 14.003  0.1778 14.545  61.100    0.32   0.08   -0.02  0.04   
1 1 1 40 8  13 f 19.482  0.2093 19.650  -109.1000 -1.23  -2.92  -0.70  -0.86  
1 1 1 40 8  14 o 12.801  0.1831 13.740  56.600    0.25   0.36   0.04   0.03   
1 1 1 40 8  15 o 6.1746  0.2982 6.4517  131.900   -0.30  0.29   0.08   -0.03  
1 1 1 40 8  16 o 9.0137  0.3087 7.9094  136.400   -0.18  0.63   -0.00  0.04   
1 1 1 40 8  17 o 9.8672  0.2398 9.5448  169.500   -1.13  -0.88  0.32   0.19   
1 1 1 40 8  18 o 10.602  0.4579 11.085  114.200   0.44   2.37   0.04   -0.25  
1 1 1 40 8  19 o 0.0000  1.8543 ?       ?         -0.05  0.29   -0.03  -0.02  
1 1 1 40 8  20 f 4.1154  0.5923 ?       ?         0.10   0.16   0.00   0.00   
1 1 1 40 8  21 o 5.9747  0.4599 ?       ?         -0.21  -0.06  0.00   0.00   
1 1 1 40 8  22 o 3.1183  0.9964 ?       ?         -0.65  0.05   0.02   0.01   
1 1 1 40 8  23 o 2.3397  1.3308 ?       ?         0.07   0.21   -0.00  0.00   
1 1 1 40 9  0  o 13.689  0.1945 12.346  180.000   0.26   0.00   0.00   0.00   
1 1 1 40 9  1  f 6.2148  0.5647 5.9973  174.500   -1.97  2.93   0.09   0.30   
1 1 1 40 9  2  f 26.394  0.2282 24.133  109.500   -2.05  1.50   -0.60  0.39   
1 1 1 40 9  3  o 13.430  0.2254 17.090  177.700   -1.59  1.73   -0.18  0.64   
1 1 1 40 9  4  o 14.266  0.1985 11.307  -164.2000 -1.37  1.42   0.27   0.50   
1 1 1 40 9  5  o 10.745  0.1452 12.957  -89.2000  -0.05  -0.20  -0.11  -0.10  
1 1 1 40 9  6  o 13.745  0.4066 11.111  2.2000    3.50   0.08   -0.40  -0.12  
1 1 1 40 9  7  o 6.2812  0.2337 2.7976  -20.5000  -0.18  -0.05  0.19   0.06   
1 1 1 40 9  8  o 9.5149  0.2360 9.6201  20.200    0.88   0.35   -0.04  -0.10  
1 1 1 40 9  9  o 2.7274  0.5241 0.4440  -130.2000 -0.47  0.51   0.05   0.09   
1 1 1 40 9  10 o 14.419  0.1561 14.709  112.200   -1.61  0.30   -0.56  -0.98  
1 1 1 40 9  11 o 17.262  0.3727 18.664  -81.6000  5.85   -0.33  -1.40  -0.69  
1 1 1 40 9  12 o 12.973  0.1703 15.250  53.000    -0.63  0.38   0.07   -0.45  
1 1 1 40 9  13 o 5.4229  0.3170 4.5176  -90.1000  -0.35  0.14   -0.00  0.03   
1 1 1 40 9  14 o 6.9675  0.2753 5.6237  -105.7000 -0.05  0.05   -0.00  -0.00  
1 1 1 40 9  15 o 4.9135  0.3623 4.9212  -69.3000  -0.21  -0.55  -0.04  -0.09  
1 1 1 40 9  16 o 10.275  0.2574 9.8060  -7.0000   0.29   0.43   -0.02  -0.02  
1 1 1 40 9  17 o 5.5928  0.3654 5.0443  157.000   0.12   0.19   -0.01  0.00   
1 1 1 40 9  18 o 7.8385  0.2893 7.1616  -76.2000  1.66   -1.72  -0.64  -0.08  
1 1 1 40 9  19 o 6.5331  0.3539 ?       ?         -0.99  0.36   0.08   -0.10  
1 1 1 40 9  20 o 5.8581  0.6185 ?       ?         -0.15  0.24   -0.00  0.00   
1 1 1 40 9  21 o 4.6558  0.6865 ?       ?         -0.36  1.66   -0.08  0.07   
1 1 1 40 9  22 o 3.4904  1.6228 ?       ?         0.05   0.69   -0.01  -0.01  
1 1 1 40 9  23 o 3.0339  1.0774 ?       ?         -0.42  0.33   0.00   -0.00  
1 1 1 40 10 0  o 5.9498  0.2959 0.2317  176.300   0.02   0.00   0.00   0.00   
1 1 1 40 10 1  o 16.829  0.1249 20.122  111.900   -0.10  0.12   -0.04  -0.04  
1 1 1 40 10 2  o 17.403  0.1259 13.973  116.400   -0.19  -0.02  -0.01  0.04   
1 1 1 40 10 3  o 4.2315  0.2851 3.1047  0.3000    -0.04  0.06   -0.02  0.02   
1 1 1 40 10 4  o 8.1271  0.1717 7.3694  35.500    0.38   0.29   -0.19  -0.12  
1 1 1 40 10 5  o 16.008  0.1438 13.912  2.1000    0.70   -1.23  1.97   -2.37  
1 1 1 40 10 6  o 7.0568  0.2171 6.9432  72.300    -0.40  0.92   0.06   0.13   
1 1 1 40 10 7  o 20.262  0.1793 18.191  25.600    2.91   -0.58  -0.35  1.28   
1 1 1 40 10 8  o 4.4819  0.3186 2.6211  -127.1000 0.41   -0.23  -0.30  -0.01  
1 1 1 40 10 9  o 9.1426  0.1923 8.9339  143.100   -0.41  -0.24  -0.12  0.01   
1 1 1 40 10 10 o 3.1022  1.3809 1.2438  42.400    -0.47  -0.32  -0.00  -0.02  
1 1 1 40 10 11 o 4.7387  0.3644 5.1935  124.800   -0.54  0.50   0.02   0.07   
1 1 1 40 10 12 o 13.852  0.1735 12.368  92.200    -1.39  0.57   -0.55  -0.82  
1 1 1 40 10 13 o 14.596  0.4638 17.150  139.800   -3.22  0.83   -0.42  -0.05  
1 1 1 40 10 14 o 12.707  0.5688 12.777  171.000   -2.74  -2.79  0.19   -0.32  
1 1 1 40 10 15 o 4.9481  0.3659 4.4607  -126.2000 0.12   -0.36  -0.01  -0.09  
1 1 1 40 10 16 o 7.7776  0.2736 7.7209  -152.0000 -0.72  -0.97  -0.15  0.52   
1 1 1 40 10 17 o 3.0761  0.5671 5.0759  -174.3000 -0.11  0.11   0.01   -0.00  
1 1 1 40 10 18 o 11.115  0.2341 11.612  -175.2000 0.11   1.83   -0.13  0.32   
1 1 1 40 10 19 o 5.1699  0.4666 ?       ?         -0.23  0.04   0.00   0.00   
1 1 1 40 10 20 o 5.6711  0.4809 ?       ?         1.27   -0.12  0.03   -0.07  
1 1 1 40 10 21 o 6.2269  0.4936 ?       ?         1.29   -0.53  0.05   -0.04  
1 1 1 40 10 22 o 3.4747  1.6001 ?       ?         -0.05  -0.23  -0.00  -0.00  
1 1 1 40 10 23 o 6.1565  0.7740 ?       ?         -0.16  0.42   -0.00  -0.00  
1 1 1 40 11 0  o 2.4495  0.5270 2.5685  -0.2000   -0.07  0.00   0.00   0.00   
1 1 1 40 11 1  o 14.387  0.1251 14.028  -34.6000  0.21   -0.70  0.41   -0.19  
1 1 1 40 11 2  o 11.269  0.1674 13.522  121.700   0.35   -0.47  0.05   0.05   
1 1 1 40 11 3  f 13.733  0.2527 11.741  -25.4000  -2.47  -4.78  2.17   -1.50  
1 1 1 40 11 4  o 8.6463  0.3998 10.099  145.500   -2.72  0.29   -0.30  0.02   
1 1 1 40 11 5  o 9.2174  0.1483 9.8724  169.500   -0.19  -2.60  1.58   0.50   
1 1 1 40 11 6  o 8.1908  0.1787 8.2948  -125.1000 1.22   -0.71  -1.52  0.39   
1 1 1 40 11 7  o 12.513  0.1706 10.821  -78.5000  -0.49  -2.53  0.66   -1.18  
1 1 1 40 11 8  f 4.1144  0.3898 0.7567  -108.3000 0.46   0.68   0.06   -0.06  
1 1 1 40 11 9  o 4.7191  0.3084 3.0930  105.700   -0.06  -0.13  0.02   0.00   
1 1 1 40 11 10 o 10.958  0.1676 11.815  111.500   0.20   0.10   0.00   -0.01  
1 1 1 40 11 11 o 11.049  0.1772 12.206  25.500    0.50   -0.94  0.28   0.03   
1 1 1 40 11 12 o 5.2038  0.3454 6.1939  -17.5000  -0.05  -0.15  0.01   0.00   
1 1 1 40 11 13 o 7.3617  0.2467 8.0000  28.700    -0.13  -0.08  0.02   0.01   
1 1 1 40 11 14 o 6.4500  0.5734 6.0064  115.900   0.49   0.37   -0.01  -0.01  
1 1 1 40 11 15 o 3.6696  0.4554 3.5040  132.600   -0.18  0.40   -0.00  0.03   
1 1 1 40 11 16 o 12.035  0.3519 13.503  -152.5000 -0.00  -0.38  0.00   0.01   
1 1 1 40 11 17 o 2.1718  0.7319 0.9342  109.200   0.02   0.27   0.01   0.02   
1 1 1 40 11 18 o 6.6765  0.3847 7.0554  115.200   -0.20  1.01   -0.01  0.08   
1 1 1 40 11 19 o 4.0726  0.5486 ?       ?         0.08   -0.07  -0.00  -0.00  
1 1 1 40 11 20 o 7.3890  0.4042 ?       ?         0.44   -0.11  0.01   -0.01  
1 1 1 40 11 21 o 1.1924  1.0350 ?       ?         0.09   0.04   0.00   0.00   
1 1 1 40 11 22 o 2.8624  0.9428 ?       ?         -0.44  -0.43  -0.00  0.01   
1 1 1 40 12 0  o 8.1486  0.2268 10.497  -0.0000   0.10   0.00   0.00   0.00   
1 1 1 40 12 1  o 6.6351  0.1754 4.6688  103.200   0.06   1.38   0.58   -0.28  
1 1 1 40 12 2  o 5.6858  0.2849 6.0872  5.4000    -0.59  -2.35  0.50   -0.42  
1 1 1 40 12 3  o 8.2033  0.4962 11.004  -66.7000  7.27   -10.67 1.14   4.44   
1 1 1 40 12 4  o 2.2467  0.4257 4.3866  18.900    -0.11  0.05   -0.01  -0.23  
1 1 1 40 12 5  o 7.9338  0.1958 8.0292  -43.6000  -0.29  -2.11  0.72   0.05   
1 1 1 40 12 6  o 4.8573  0.4568 4.3717  -73.3000  0.25   -1.58  0.12   0.06   
1 1 1 40 12 7  o 14.741  0.1387 17.419  79.700    -0.27  1.42   -1.19  1.59   
1 1 1 40 12 8  f 6.3185  0.2907 5.8205  179.400   0.22   1.51   0.29   0.04   
1 1 1 40 12 9  o 15.083  0.1471 16.859  0.9000    1.46   1.38   1.94   0.01   
1 1 1 40 12 10 o 12.978  0.4592 11.209  177.200   -2.81  -3.50  0.34   -0.53  
1 1 1 40 12 11 o 7.1258  0.2431 5.4473  -16.5000  0.38   0.45   0.04   -0.05  
1 1 1 40 12 12 o 9.0125  0.4600 7.2164  -103.4000 2.56   0.50   -0.22  -0.21  
1 1 1 40 12 13 o 10.725  0.1904 11.476  77.600    0.72   0.81   -0.40  0.01   
1 1 1 40 12 14 o 1.8598  0.7131 1.5326  -166.3000 -0.35  0.16   0.03   0.08   
1 1 1 40 12 15 o 9.1849  0.2280 9.0588  157.200   -0.16  -0.15  -0.01  0.00   
1 1 1 40 12 16 o 6.8834  0.3016 6.6712  -24.1000  0.35   -0.35  -0.03  -0.07  
1 1 1 40 12 17 o 4.8503  0.5407 5.6996  -128.5000 -0.43  0.20   -0.02  -0.00  
1 1 1 40 12 18 o 6.1636  0.6720 6.8507  -138.9000 -1.46  -2.65  -0.09  -0.32  
1 1 1 40 12 19 o 7.0766  0.3811 ?       ?         0.28   -0.91  -0.06  0.02   
1 1 1 40 12 20 o 5.9060  1.0582 ?       ?         0.09   -1.36  0.01   0.04   
1 1 1 40 12 21 o 2.9078  1.3568 ?       ?         -0.16  -0.50  -0.02  -0.01  
1 1 1 40 12 22 f 3.2071  0.9446 ?       ?         0.49   0.18   0.01   0.00   
1 1 1 40 13 0  o 2.6458  0.5006 2.9200  179.800   0.04   0.00   0.00   0.00   
1 1 1 40 13 1  o 16.769  0.1254 17.017  159.200   -0.61  0.16   -0.03  0.15   
1 1 1 40 13 2  o 14.538  0.1371 16.263  -147.4000 -1.92  1.22   0.31   1.44   
1 1 1 40 13 3  o 15.785  0.1264 17.931  -92.5000  1.23   -1.53  -0.55  1.03   
1 1 1 40 13 4  f 12.837  0.1413 11.203  71.400    0.00   0.98   0.29   -0.69  
1 1 1 40 13 5  o 2.3225  0.8164 3.0238  145.600   -0.89  0.30   -0.09  0.09   
1 1 1 40 13 6  o 8.7680  0.1713 9.9861  72.800    -0.79  -0.42  -0.41  -0.08  
1 1 1 40 13 7  o 10.766  0.1563 9.5111  -47.3000  -0.10  0.02   0.02   -0.01  
1 1 1 40 13 8  o 13.164  0.1699 12.007  -22.6000  -0.51  -1.41  0.46   0.13   
1 1 1 40 13 9  o 13.579  0.1579 14.513  54.700    1.61   0.61   -0.93  0.60   
1 1 1 40 13 10 o 4.7284  0.3118 3.3121  -9.9000   0.49   0.71   0.17   -0.11  
1 1 1 40 13 11 o 17.906  0.1534 17.428  141.100   -0.54  0.39   0.16   -0.20  
1 1 1 40 13 12 o 13.855  0.2184 12.439  6.6000    1.43   -1.49  0.51   0.21   
1 1 1 40 13 13 o 10.548  0.2024 10.651  -37.0000  0.10   1.01   0.04   -0.15  
1 1 1 40 13 14 o 4.4324  0.4072 2.9487  87.200    -0.52  0.61   -0.09  0.07   
1 1 1 40 13 15 o 10.132  0.4232 10.332  95.400    1.52   0.06   -0.09  0.09   
1 1 1 40 13 16 o 6.1292  0.3169 6.3809  -174.3000 -0.45  -0.67  -0.18  0.03   
1 1 1 40 13 17 o 4.0097  0.4775 3.7767  65.300    0.30   0.00   0.00   0.02   
1 1 1 40 13 18 o 9.0272  0.2959 9.6505  -72.0000  -0.13  0.85   -0.02  -0.07  
1 1 1 40 13 19 o 3.5232  0.6430 ?       ?         0.25   -0.46  -0.03  -0.01  
1 1 1 40 13 20 o 4.6324  0.6986 ?       ?         -0.71  -0.84  0.05   0.03   
1 1 1 40 13 21 o 4.8514  0.6341 ?       ?         0.11   -1.12  -0.05  0.02   
1 1 1 40 13 22 o 3.6573  0.8676 ?       ?         -0.22  -0.75  -0.01  0.01   
1 1 1 40 14 0  o 5.5045  0.3091 2.6925  179.700   -0.03  0.00   0.00   0.00   
1 1 1 40 14 1  o 8.4024  0.1523 6.8775  134.800   -0.20  0.17   -0.24  -0.37  
1 1 1 40 14 2  o 17.829  0.1494 18.910  54.700    -0.79  2.68   0.53   1.54   
1 1 1 40 14 3  o 21.035  0.1449 21.896  -134.8000 -0.52  0.57   0.16   0.05   
1 1 1 40 14 4  o 16.131  0.1322 12.464  -82.5000  -0.77  -1.20  0.64   -0.16  
1 1 1 40 14 5  o 21.404  0.3176 20.366  -101.4000 0.09   0.53   0.01   0.00   
1 1 1 40 14 6  o 8.1613  0.3378 9.4887  -153.9000 -2.32  -5.93  2.03   -1.12  
1 1 1 40 14 7  o 11.889  0.1635 10.795  -111.5000 -1.12  -0.34  0.17   1.31   
1 1 1 40 14 8  f 13.748  0.1447 11.423  -112.7000 0.68   0.38   -0.25  0.40   
1 1 1 40 14 9  o 8.7252  0.3348 9.1935  106.500   0.53   2.27   0.25   -0.30  
1 1 1 40 14 10 o 6.9687  0.2339 8.4922  81.400    0.07   -0.01  -0.00  -0.01  
1 1 1 40 14 11 o 11.453  0.1802 13.123  -78.2000  -0.22  0.20   0.05   -0.06  
1 1 1 40 14 12 o 6.4906  0.2743 6.7498  24.200    1.18   -0.05  -0.21  -0.25  
1 1 1 40 14 13 f 9.1855  0.3060 8.2962  49.500    0.31   -0.40  -0.01  0.02   
1 1 1 40 14 14 o 9.8115  0.3705 9.1684  -93.0000  -1.70  -2.56  -0.17  -0.51  
1 1 1 40 14 15 o 12.913  0.1922 12.399  -4.3000   1.33   0.38   0.20   0.31   
1 1 1 40 14 16 o 9.5022  0.2347 9.2348  68.500    0.01   0.16   -0.01  0.00   
1 1 1 40 14 17 o 5.9208  0.3584 5.8789  -99.6000  0.54   -0.91  0.12   -0.15  
1 1 1 40 14 18 o 1.7378  0.8753 1.4032  -102.5000 -0.24  0.19   0.02   0.01   
1 1 1 40 14 19 o 5.8923  0.6676 ?       ?         0.84   -0.62  0.03   0.02   
1 1 1 40 14 20 o 9.2620  0.3585 ?       ?         -1.59  -0.74  0.10   0.02   
1 1 1 40 14 21 o 9.7621  0.4112 ?       ?         -1.12  -0.01  0.03   0.00   
1 1 1 40 14 22 o 5.5431  0.6623 ?       ?         0.12   -0.27  -0.00  0.00   
1 1 1 40 15 0  o 2.7749  0.4714 0.2129  -2.0000   -0.07  0.00   0.00   0.00   
1 1 1 40 15 1  o 34.411  0.3644 35.151  161.900   -3.27  -0.15  -0.35  -0.38  
1 1 1 40 15 2  o 9.9481  0.3335 11.875  -140.5000 -2.49  -3.98  0.55   -0.73  
1 1 1 40 15 3  o 11.319  0.5771 12.189  -98.0000  -12.86 -8.18  -1.90  -2.92  
1 1 1 40 15 4  o 10.980  0.1695 11.560  121.500   -3.02  1.05   -1.64  0.38   
1 1 1 40 15 5  f 14.390  0.1598 13.701  171.900   -0.48  0.14   0.21   -0.23  
1 1 1 40 15 6  o 17.217  0.1246 16.932  131.700   0.64   0.71   -0.71  0.24   
1 1 1 40 15 7  o 4.6259  0.2908 5.4630  53.300    -0.20  0.37   -0.04  0.12   
1 1 1 40 15 8  o 5.0043  0.3192 3.7162  -66.1000  -0.16  -0.85  0.07   -0.07  
1 1 1 40 15 9  f 17.550  0.1465 17.847  4.5000    0.81   -0.21  0.23   0.16   
1 1 1 40 15 10 o 9.8310  0.3127 10.148  -148.1000 -3.08  -1.24  -0.68  -0.26  
1 1 1 40 15 11 o 10.877  0.1815 11.744  131.400   -0.42  2.39   1.28   -1.80  
1 1 1 40 15 12 f 4.7011  0.3498 1.4068  -136.6000 -0.44  -0.36  0.02   -0.04  
1 1 1 40 15 13 o 17.541  0.1615 17.043  63.800    0.65   0.72   -0.08  0.16   
1 1 1 40 15 14 o 4.8936  0.3784 3.7396  -122.8000 -0.02  0.04   -0.00  -0.00  
1 1 1 40 15 15 o 5.6246  0.3548 3.5280  -172.6000 0.41   -0.31  -0.01  -0.10  
1 1 1 40 15 16 o 5.1576  0.3681 4.2920  -45.1000  0.09   0.08   0.00   0.00   
1 1 1 40 15 17 o 8.8140  0.4302 8.9172  139.600   -0.95  0.13   -0.03  -0.04  
1 1 1 40 15 18 o 4.9588  1.4743 ?       ?         -1.08  0.13   -0.03  -0.01  
1 1 1 40 15 19 o 4.3105  0.5870 ?       ?         0.39   -0.17  0.01   -0.01  
1 1 1 40 15 20 o 4.2208  0.6663 ?       ?         -0.15  0.03   0.00   -0.00  
1 1 1 40 15 21 o 3.0372  0.9321 ?       ?         -0.36  -0.22  0.01   0.01   
1 1 1 40 15 22 o 4.2592  0.7700 ?       ?         -0.62  -0.42  -0.00  0.01   
1 1 1 40 16 0  o 24.273  0.2326 21.087  0.0000    0.84   0.00   0.00   0.00   
1 1 1 40 16 1  o 18.392  0.1541 18.610  60.300    0.56   2.91   1.40   0.55   
1 1 1 40 16 2  o 8.9600  0.3055 9.5025  126.200   -0.63  7.97   3.33   -0.15  
1 1 1 40 16 3  f 11.744  0.1292 13.696  -167.1000 0.16   -0.10  -0.02  0.01   
1 1 1 40 16 4  o 6.6136  0.1935 8.7422  -67.5000  0.22   -0.24  -0.19  0.05   
1 1 1 40 16 5  o 9.7147  0.1464 7.2472  -72.1000  1.39   0.25   -0.49  0.11   
1 1 1 40 16 6  o 11.728  0.2867 9.0295  118.700   0.85   4.08   1.41   0.16   
1 1 1 40 16 7  o 16.767  0.1378 17.350  159.900   1.06   -0.72  -0.48  -0.09  
1 1 1 40 16 8  o 3.6774  0.5707 4.5680  82.900    0.47   0.42   -0.01  -0.03  
1 1 1 40 16 9  o 7.7101  0.3214 4.9963  -95.1000  -2.00  -1.48  0.06   -0.51  
1 1 1 40 16 10 o 22.755  0.1652 25.935  -162.0000 -1.15  0.33   -0.13  -0.13  
1 1 1 40 16 11 o 7.5748  0.2314 6.3459  -116.7000 -0.21  -0.15  0.04   0.00   
1 1 1 40 16 12 o 4.3470  0.3681 4.0437  -49.7000  0.31   0.12   0.01   -0.04  
1 1 1 40 16 13 o 9.4380  0.2041 9.6133  -65.6000  2.01   -0.39  -0.49  -0.62  
1 1 1 40 16 14 o 13.101  0.3683 15.153  -7.9000   2.92   0.02   -0.20  -0.40  
1 1 1 40 16 15 o 6.1577  0.3331 6.9573  117.900   0.14   0.28   -0.01  -0.01  
1 1 1 40 16 16 o 4.3573  0.4542 5.1994  31.300    0.16   0.09   0.00   0.01   
1 1 1 40 16 17 o 2.3918  0.7140 1.0605  -60.0000  -0.02  -0.15  -0.00  -0.00  
1 1 1 40 16 18 o 6.2993  0.3860 ?       ?         -0.59  -0.35  0.03   -0.00  
1 1 1 40 16 19 o 5.7672  0.4917 ?       ?         -0.18  1.60   -0.09  0.08   
1 1 1 40 16 20 o 1.7292  1.0203 ?       ?         -0.34  -0.11  0.01   0.01   
1 1 1 40 16 21 o 3.2352  1.4974 ?       ?         -0.15  0.36   -0.01  0.00   
1 1 1 40 16 22 o 2.0480  1.1019 ?       ?         -0.46  -0.13  0.01   0.00   
1 1 1 40 17 0  o 2.3452  0.5418 0.5135  179.400   -0.04  0.00   0.00   0.00   
1 1 1 40 17 1  o 5.7898  0.4337 6.4784  78.000    0.42   1.81   0.10   -0.07  
1 1 1 40 17 2  o 13.017  0.1232 13.283  30.600    0.30   0.18   0.09   -0.08  
1 1 1 40 17 3  o 5.4962  0.1938 4.2879  -150.5000 0.11   0.89   0.23   0.04   
1 1 1 40 17 4  o 7.5191  0.1671 7.1585  3.0000    0.92   0.88   0.97   -0.85  
1 1 1 40 17 5  o 11.364  0.1726 10.610  106.200   0.84   2.21   1.10   0.08   
1 1 1 40 17 6  o 10.357  0.1445 12.313  -4.1000   0.70   0.48   -0.50  0.63   
1 1 1 40 17 7  o 4.9286  0.3904 3.2812  -70.2000  -1.40  0.02   -0.17  -0.06  
1 1 1 40 17 8  o 15.943  0.1482 14.415  -174.2000 -1.48  -1.52  0.77   -0.36  
1 1 1 40 17 9  o 5.2452  0.2935 4.2728  -105.3000 -1.19  0.15   -0.20  0.22   
1 1 1 40 17 10 o 17.200  0.1616 15.228  -49.7000  -2.03  -0.04  -0.16  -0.65  
1 1 1 40 17 11 o 6.6372  0.2547 4.1050  -102.4000 -0.64  -0.14  -0.08  0.04   
1 1 1 40 17 12 o 10.338  0.1954 9.2908  116.600   -0.84  0.70   0.36   -0.51  
1 1 1 40 17 13 o 3.4018  0.4598 4.2638  -91.2000  0.18   0.18   -0.03  0.02   
1 1 1 40 17 14 o 12.905  0.2515 12.634  -92.4000  1.90   -1.64  -0.54  0.00   
1 1 1 40 17 15 f 5.4192  0.3607 6.8960  -102.5000 0.29   -0.52  -0.04  -0.11  
1 1 1 40 17 16 o 5.9330  0.4721 5.7025  -169.1000 0.09   -0.10  -0.00  0.00   
1 1 1 40 17 17 o 5.0154  0.4356 4.9428  -64.1000  -0.25  -0.15  0.01   0.01   
1 1 1 40 17 18 o 3.7467  0.5984 ?       ?         1.02   -0.65  -0.10  -0.07  
1 1 1 40 17 19 o 5.2081  0.9382 ?       ?         -1.04  -0.13  0.00   -0.03  
1 1 1 40 17 20 f 5.2099  0.6328 ?       ?         0.74   0.07   0.01   0.01   
1 1 1 40 17 21 o 5.8693  0.5968 ?       ?         -0.05  1.19   -0.01  -0.00  
1 1 1 40 17 22 o 7.6665  0.4920 ?       ?         0.78   1.67   -0.02  0.02   
1 1 1 40 18 0  o 21.617  0.1789 23.432  -180.0000 -0.08  0.00   0.00   0.00   
1 1 1 40 18 1  o 11.737  0.1205 12.291  -39.8000  0.28   -1.26  0.85   -0.69  
1 1 1 40 18 2  f 12.886  0.1638 13.260  -113.5000 -0.72  -3.40  1.93   0.32   
1 1 1 40 18 3  f 12.060  0.1257 11.471  -4.9000   1.27   -0.91  2.21   0.96   
1 1 1 40 18 4  o 9.6780  0.1399 11.510  -40.6000  0.83   -0.49  -0.77  -0.89  
1 1 1 40 18 5  o 4.7396  0.4167 5.7037  147.000   0.33   1.04   0.07   -0.03  
1 1 1 40 18 6  o 6.2729  0.2077 4.4750  -45.3000  0.45   -0.11  -0.03  -0.39  
1 1 1 40 18 7  o 15.537  0.1484 13.196  -55.6000  0.15   -1.23  0.20   -0.41  
1 1 1 40 18 8  o 2.4474  0.4763 2.9220  44.100    -0.01  0.05   -0.00  0.00   
1 1 1 40 18 9  o 14.858  0.2713 13.883  -17.4000  3.21   -0.04  -0.60  -0.39  
1 1 1 40 18 10 o 10.646  0.1974 12.108  108.500   -0.08  0.24   0.00   0.01   
1 1 1 40 18 11 f 6.0964  0.3171 7.7818  -38.8000  -0.18  -0.81  0.09   0.02   
1 1 1 40 18 12 o 1.8932  0.9028 0.2068  136.100   -0.43  -0.24  0.01   -0.07  
1 1 1 40 18 13 o 7.2361  0.3018 6.4035  -132.6000 -1.43  -1.30  0.27   -0.27  
1 1 1 40 18 14 o 14.026  0.1796 13.905  -73.5000  -0.09  0.09   -0.00  -0.00  
1 1 1 40 18 15 o 4.4416  0.3937 4.5905  146.900   0.14   -0.22  0.01   0.00   
1 1 1 40 18 16 o 3.7412  0.5116 4.5121  -151.5000 -0.06  -0.06  0.00   0.00   
1 1 1 40 18 17 o 1.2571  0.9203 2.0702  -45.7000  -0.33  0.02   0.04   -0.02  
1 1 1 40 18 18 o 3.7790  0.5913 ?       ?         -0.47  0.39   -0.02  -0.03  
1 1 1 40 18 19 o 3.3843  0.7591 ?       ?         -0.67  -0.18  0.03   -0.02  
1 1 1 40 18 20 o 9.7394  0.3997 ?       ?         1.61   -1.17  0.01   -0.09  
1 1 1 40 18 21 o 6.9391  0.5403 ?       ?         1.23   -1.63  -0.01  -0.04  
1 1 1 40 19 0  o 7.2111  0.3057 2.4149  -0.0000   -0.10  0.00   0.00   0.00   
1 1 1 40 19 1  o 10.020  0.3076 9.1412  -35.0000  2.25   -3.34  0.63   0.75   
1 1 1 40 19 2  o 5.7250  0.1782 5.7042  106.300   -0.49  0.35   -1.15  -0.49  
1 1 1 40 19 3  o 4.5905  0.3055 4.9385  163.100   -1.75  -1.32  -0.00  -0.47  
1 1 1 40 19 4  o 7.5126  0.1598 6.5509  73.800    -0.53  -0.58  -0.29  -0.23  
1 1 1 40 19 5  o 21.199  0.2054 20.544  -47.8000  0.10   0.90   0.02   -0.09  
1 1 1 40 19 6  o 19.163  0.3407 17.133  -88.1000  -3.06  -1.29  -0.47  -0.10  
1 1 1 40 19 7  o 8.1598  0.3076 7.4273  52.900    0.86   2.11   0.38   -0.14  
1 1 1 40 19 8  o 12.726  0.2759 9.7862  -131.7000 0.90   -2.03  0.07   0.33   
1 1 1 40 19 9  o 3.5715  0.3828 2.2476  -30.7000  0.37   -0.82  0.02   0.14   
1 1 1 40 19 10 o 4.5923  0.3353 3.0113  -152.0000 -0.19  -0.53  0.13   0.11   
1 1 1 40 19 11 o 7.6753  0.2329 7.9589  22.000    1.14   -0.09  0.02   -0.57  
1 1 1 40 19 12 o 4.7189  0.3307 3.4593  31.600    0.17   -0.13  0.01   0.01   
1 1 1 40 19 13 f 5.7634  0.3033 6.8563  33.500    0.63   0.42   0.04   -0.07  
1 1 1 40 19 14 o 15.434  0.1931 14.696  -131.8000 -0.14  -0.50  0.01   0.02   
1 1 1 40 19 15 o 6.9721  0.4422 8.1833  154.600   -1.60  -0.61  0.03   -0.18  
1 1 1 40 19 16 o 2.7015  1.2231 1.6103  -30.1000  -1.21  -0.42  -0.05  -0.14  
1 1 1 40 19 17 o 0.1773  0.6469 2.1284  -29.5000  0.07   -0.03  0.00   -0.00  
1 1 1 40 19 18 o 2.0958  0.9975 ?       ?         0.14   -0.28  0.00   -0.02  
1 1 1 40 19 19 o 4.5783  0.6386 ?       ?         -0.15  -0.01  0.00   0.00   
1 1 1 40 19 20 o 5.4683  1.0013 ?       ?         0.72   0.81   0.03   -0.00  
1 1 1 40 19 21 o 4.3102  0.7396 ?       ?         -0.21  0.44   -0.00  -0.00  
1 1 1 40 20 0  o 11.528  0.2254 10.072  -180.0000 0.19   0.00   0.00   0.00   
1 1 1 40 20 1  o 7.5182  0.2135 5.4408  150.300   -0.03  -0.33  -0.06  -0.12  
1 1 1 40 20 2  o 6.5373  0.2308 8.9500  -134.0000 0.69   0.34   0.02   -0.18  
1 1 1 40 20 3  o 11.461  0.1914 8.3728  112.500   -1.16  -0.89  0.15   -0.29  
1 1 1 40 20 4  o 9.8066  0.1272 13.182  145.600   -0.00  0.94   0.14   -0.60  
1 1 1 40 20 5  o 8.1541  0.1620 9.1450  -178.7000 -0.80  0.55   0.27   0.39   
1 1 1 40 20 6  o 8.5907  0.5657 7.6690  -150.0000 -2.76  6.52   0.97   0.61   
1 1 1 40 20 7  o 6.9258  0.4853 7.1652  121.400   -5.02  2.49   -0.83  0.67   
1 1 1 40 20 8  o 2.5723  0.4397 3.1913  -132.1000 0.29   -0.23  -0.03  0.03   
1 1 1 40 20 9  o 16.698  0.1466 17.161  -43.2000  1.27   -1.61  1.06   -1.23  
1 1 1 40 20 10 o 18.765  0.1502 17.542  -27.6000  0.99   0.42   0.23   0.09   
1 1 1 40 20 11 o 7.3227  0.2367 7.1808  -10.2000  0.46   -0.21  0.18   -0.04  
1 1 1 40 20 12 o 5.5412  0.3164 3.6796  -122.5000 -0.44  -0.04  -0.02  0.03   
1 1 1 40 20 13 o 8.4244  0.3610 8.6462  39.600    1.70   2.38   -0.33  -0.49  
1 1 1 40 20 14 o 6.1348  0.3290 4.5435  12.300    -0.34  0.11   0.04   -0.02  
1 1 1 40 20 15 f 10.342  0.2101 10.762  -160.1000 -0.78  -1.01  0.08   0.25   
1 1 1 40 20 16 o 2.2045  0.7728 3.1462  56.200    0.25   0.22   -0.02  0.02   
1 1 1 40 20 17 o 4.7777  0.4993 ?       ?         -0.32  0.80   0.02   -0.04  
1 1 1 40 20 18 o 5.9492  0.4607 ?       ?         0.17   0.09   -0.00  0.00   
1 1 1 40 20 19 o 5.2920  0.6137 ?       ?         -1.06  -0.62  0.03   0.01   
1 1 1 40 20 20 o 6.0737  0.9128 ?       ?         0.09   0.25   -0.00  -0.00  
1 1 1 40 20 21 o 1.4953  1.1178 ?       ?         0.08   -0.35  -0.01  -0.00  
1 1 1 40 21 0  o 7.5498  0.2808 10.082  -0.0000   0.56   0.00   0.00   0.00   
1 1 1 40 21 1  o 12.012  0.2898 13.627  129.300   -1.51  0.71   -0.20  0.06   
1 1 1 40 21 2  o 11.982  0.3376 12.355  -75.9000  3.83   -0.47  -0.86  -0.23  
1 1 1 40 21 3  o 4.6159  0.3032 3.3423  -22.3000  -1.15  -0.75  0.12   -0.51  
1 1 1 40 21 4  f 7.8576  0.3992 7.2290  -159.6000 -0.84  -5.94  1.49   -0.02  
1 1 1 40 21 5  o 8.7701  0.3067 8.5762  119.000   -1.35  4.19   1.12   0.33   
1 1 1 40 21 6  o 2.6605  0.3843 3.3805  -7.1000   0.59   -0.06  -0.07  -0.02  
1 1 1 40 21 7  o 10.111  0.1644 8.9689  -84.8000  0.76   -0.09  -0.09  -0.04  
1 1 1 40 21 8  o 7.0902  0.2115 6.7716  -125.1000 0.03   -0.22  -0.02  0.04   
1 1 1 40 21 9  o 6.5438  0.2280 4.3783  -132.0000 -0.42  -0.21  0.03   -0.06  
1 1 1 40 21 10 o 0.9280  0.7059 2.3763  -63.2000  0.05   -0.04  -0.01  -0.01  
1 1 1 40 21 11 o 7.1630  0.3771 6.0339  -49.2000  0.16   -2.63  0.40   -0.23  
1 1 1 40 21 12 o 4.4763  0.3670 4.5399  -32.7000  0.20   0.63   0.07   0.04   
1 1 1 40 21 13 f 14.445  0.1772 14.016  -110.6000 -0.75  -0.71  0.01   0.16   
1 1 1 40 21 14 o 3.5001  0.4537 3.2716  -175.8000 0.36   0.04   -0.01  0.02   
1 1 1 40 21 15 o 13.324  0.1991 14.152  8.4000    -0.20  2.05   -0.21  0.21   
1 1 1 40 21 16 o 3.0165  0.6192 3.6002  -143.5000 0.32   -0.30  -0.03  -0.02  
1 1 1 40 21 17 o 3.4136  0.5645 ?       ?         0.19   0.13   0.01   0.00   
1 1 1 40 21 18 o 3.2358  0.7332 ?       ?         -0.13  0.15   -0.00  -0.00  
1 1 1 40 21 19 o 5.9133  0.5355 ?       ?         0.09   -0.49  -0.01  0.00   
1 1 1 40 21 20 o 2.2844  1.1030 ?       ?         -0.71  -0.38  0.04   0.01   
1 1 1 40 21 21 o 8.8119  0.4597 ?       ?         4.26   -0.08  0.13   -0.00  
1 1 1 40 22 0  o 7.4095  0.2857 10.258  180.000   -0.07  0.00   0.00   0.00   
1 1 1 40 22 1  o 10.126  0.1692 7.8758  -146.5000 -0.37  -0.72  0.20   0.01   
1 1 1 40 22 2  o 11.762  0.5790 10.144  45.500    -4.75  11.30  1.33   2.33   
1 1 1 40 22 3  f 3.5694  0.4636 3.6737  162.400   -0.58  0.15   -0.03  0.01   
1 1 1 40 22 4  o 4.2787  0.2740 3.4897  -116.3000 -1.12  0.46   -0.23  0.09   
1 1 1 40 22 5  o 8.3857  0.2021 7.0982  -1.0000   1.31   0.06   -0.20  -0.16  
1 1 1 40 22 6  o 17.865  0.1590 17.182  146.300   -1.37  5.43   3.66   -2.03  
1 1 1 40 22 7  o 7.3259  0.1807 6.8518  128.700   -0.38  0.36   0.14   0.07   
1 1 1 40 22 8  o 12.104  0.1481 12.624  56.700    -0.27  0.53   -0.10  0.09   
1 1 1 40 22 9  o 11.738  0.1585 11.625  -143.4000 -1.09  0.13   0.15   -0.45  
1 1 1 40 22 10 o 7.4542  0.4091 7.2289  174.700   -2.14  -0.38  -0.15  -0.18  
1 1 1 40 22 11 o 5.9416  0.2805 5.8033  -117.2000 -0.66  -0.12  0.09   -0.16  
1 1 1 40 22 12 o 8.3169  0.3280 6.6191  -142.0000 0.54   -1.13  0.12   -0.02  
1 1 1 40 22 13 o 12.244  0.2627 12.919  -2.4000   0.82   0.85   0.09   -0.02  
1 1 1 40 22 14 o 14.998  0.2036 15.575  -94.8000  1.07   -2.15  -0.37  0.13   
1 1 1 40 22 15 o 13.025  0.2748 13.361  -72.6000  0.05   -0.76  -0.00  -0.03  
1 1 1 40 22 16 o 7.2674  0.3376 7.9686  -98.4000  0.81   -1.44  -0.19  0.06   
1 1 1 40 22 17 o 3.5365  0.6453 ?       ?         -0.05  -0.39  -0.01  -0.01  
1 1 1 40 22 18 o 3.4363  0.7176 ?       ?         -0.07  -0.17  -0.00  0.00   
1 1 1 40 22 19 o 6.3672  0.5178 ?       ?         0.72   0.22   0.00   0.01   
1 1 1 40 22 20 o 3.0366  0.8975 ?       ?         0.30   -0.04  0.00   -0.00  
1 1 1 40 22 21 f 5.5794  0.8730 ?       ?         -0.74  -0.97  0.01   0.00   
1 1 1 40 23 0  o 2.5690  0.5630 1.2952  -180.0000 -0.07  0.00   0.00   0.00   
1 1 1 40 23 1  o 4.8988  0.5161 2.7911  -99.6000  1.15   0.31   -0.05  -0.04  
1 1 1 40 23 2  o 3.2128  0.3557 1.0943  105.000   0.27   0.24   -0.01  -0.02  
1 1 1 40 23 3  o 13.155  0.1828 11.461  -95.3000  3.91   -0.31  -1.63  -1.50  
1 1 1 40 23 4  o 10.478  0.1784 7.2733  23.800    -0.60  0.93   -0.96  -0.53  
1 1 1 40 23 5  o 4.5317  0.2468 5.6735  37.700    0.17   0.30   -0.22  -0.05  
1 1 1 40 23 6  o 3.7059  0.2792 3.4853  153.500   -0.20  0.53   0.02   0.04   
1 1 1 40 23 7  o 2.6925  0.4274 0.6919  29.800    -0.27  0.37   -0.00  0.03   
1 1 1 40 23 8  o 2.6454  0.4065 2.9873  -2.3000   0.15   -0.16  0.04   0.01   
1 1 1 40 23 9  o 10.384  0.2005 11.301  -109.3000 0.50   -0.63  -0.06  0.06   
1 1 1 40 23 10 o 3.1214  0.4149 2.7749  120.600   0.22   -0.33  -0.00  -0.15  
1 1 1 40 23 11 o 16.500  0.1733 14.131  -167.6000 -5.03  -1.21  0.95   -2.27  
1 1 1 40 23 12 o 6.7885  0.2703 4.5262  58.000    -0.44  -0.32  -0.04  -0.00  
1 1 1 40 23 13 o 5.7875  0.3038 6.9233  13.500    0.14   0.52   -0.03  0.10   
1 1 1 40 23 14 o 2.5503  1.1655 2.1223  -174.5000 -0.22  0.10   -0.01  0.00   
1 1 1 40 23 15 o 8.3046  0.3033 7.9241  79.500    1.26   -0.07  0.03   -0.12  
1 1 1 40 23 16 o 7.9966  0.3201 8.3184  -151.5000 -0.32  -0.59  -0.01  0.04   
1 1 1 40 23 17 o 5.4192  0.4483 ?       ?         -0.33  -0.04  0.00   -0.00  
1 1 1 40 23 18 o 5.0237  0.5845 ?       ?         -0.35  -0.19  0.00   0.00   
1 1 1 40 23 19 o 3.6426  0.7608 ?       ?         -0.25  -0.07  0.00   0.00   
1 1 1 40 23 20 o 3.6334  1.2221 ?       ?         -0.42  0.07   0.00   0.00   
1 1 1 40 24 0  o 9.4128  0.2231 7.7043  180.000   -0.25  0.00   0.00   0.00   
1 1 1 40 24 1  o 6.2462  0.2042 6.8342  -38.4000  0.16   0.39   -0.00  -0.06  
1 1 1 40 24 2  o 15.770  0.1473 15.431  66.800    -1.07  0.94   0.65   -0.08  
1 1 1 40 24 3  o 14.341  0.1408 14.496  176.600   -2.43  -0.70  -1.16  1.20   
1 1 1 40 24 4  o 14.387  0.1528 13.290  128.300   -0.60  0.78   -0.31  -0.58  
1 1 1 40 24 5  o 6.2954  0.3058 3.8645  160.700   -1.57  0.19   -0.26  -0.07  
1 1 1 40 24 6  o 2.6222  0.3941 1.6823  38.100    0.12   0.10   -0.02  0.07   
1 1 1 40 24 7  o 3.6536  0.2902 1.4275  -10.2000  0.06   0.17   0.01   0.00   
1 1 1 40 24 8  o 12.416  0.1528 11.881  2.8000    -0.27  -0.23  0.03   -0.00  
1 1 1 40 24 9  o 11.110  0.1640 11.706  81.200    -1.38  0.35   -0.24  -0.24  
1 1 1 40 24 10 o 6.4909  0.2345 7.1399  99.800    -0.11  0.64   -0.24  0.10   
1 1 1 40 24 11 o 10.704  0.1858 9.7528  49.200    -0.01  1.02   -0.08  0.23   
1 1 1 40 24 12 o 4.6284  0.4290 3.8609  152.700   0.76   1.24   0.18   -0.02  
1 1 1 40 24 13 o 7.8075  0.2463 8.4683  -57.2000  0.28   -0.82  -0.16  -0.08  
1 1 1 40 24 14 o 7.2329  0.2846 6.2804  -107.8000 -0.53  -0.05  0.02   0.04   
1 1 1 40 24 15 o 8.4589  0.2681 9.1315  89.300    -0.07  0.08   -0.00  -0.00  
1 1 1 40 24 16 f 7.4029  0.3158 ?       ?         0.92   -1.74  -0.20  0.04   
1 1 1 40 24 17 o 0.9548  1.0492 ?       ?         0.18   0.02   0.00   -0.00  
1 1 1 40 24 18 o 6.0551  0.5171 ?       ?         0.32   0.09   0.00   0.00   
1 1 1 40 24 19 o 2.9099  0.8718 ?       ?         0.49   0.53   -0.01  0.02   
1 1 1 40 24 20 o 2.6987  1.3202 ?       ?         -0.74  -0.67  0.02   0.02   
1 1 1 40 25 0  f 9.5079  0.4032 13.132  180.000   -0.79  0.00   0.00   0.00   
1 1 1 40 25 1  o 7.2422  0.3604 7.1496  -93.4000  0.23   -1.50  0.11   0.25   
1 1 1 40 25 2  o 6.6810  0.2408 5.5885  146.400   0.41   0.51   -0.10  -0.08  
1 1 1 40 25 3  o 2.1270  0.4189 2.0280  -98.9000  0.14   -0.17  0.05   0.02   
1 1 1 40 25 4  o 7.0491  0.7063 7.7333  -179.9000 0.39   -2.54  0.11   0.01   
1 1 1 40 25 5  o 4.3193  0.3463 2.8539  -38.7000  0.56   -0.09  -0.04  -0.01  
1 1 1 40 25 6  o 7.0798  0.2609 7.3371  -148.7000 0.20   -0.16  0.00   0.01   
1 1 1 40 25 7  o 1.1207  0.5547 0.9595  -119.2000 0.02   0.06   -0.00  -0.00  
1 1 1 40 25 8  o 2.7129  0.4083 3.2312  -21.9000  0.01   -0.07  -0.00  -0.01  
1 1 1 40 25 9  o 12.342  0.2430 12.482  3.9000    3.81   -2.45  1.05   1.32   
1 1 1 40 25 10 o 2.5392  0.4881 1.7025  79.500    -0.14  0.30   -0.03  0.03   
1 1 1 40 25 11 o 4.9229  0.4103 4.5462  -45.8000  -1.65  -1.00  0.11   -0.30  
1 1 1 40 25 12 o 6.5943  0.2652 5.4997  9.3000    -0.26  0.04   -0.00  -0.01  
1 1 1 40 25 13 o 2.5325  0.7464 2.4874  37.200    0.01   0.14   0.00   -0.00  
1 1 1 40 25 14 o 4.5873  0.4210 5.5897  -74.6000  0.27   -0.35  -0.02  -0.03  
1 1 1 40 25 15 o 5.0478  0.4283 4.5335  115.100   0.09   0.20   0.00   0.00   
1 1 1 40 25 16 f 2.5146  0.7321 ?       ?         0.21   -0.28  -0.01  -0.01  
1 1 1 40 25 17 o 2.5169  1.2316 ?       ?         -0.34  -0.42  0.02   0.01   
1 1 1 40 25 18 o 6.4808  0.4833 ?       ?         -0.80  -1.76  -0.07  0.04   
1 1 1 40 25 19 o 2.4774  0.9454 ?       ?         0.11   0.36   -0.00  0.00   
1 1 1 40 25 20 o 4.2465  0.7650 ?       ?         -0.24  0.11   0.00   -0.00  
1 1 1 40 26 0  o 20.888  0.4613 18.057  180.000   -0.34  0.00   0.00   0.00   
1 1 1 40 26 1  f 6.8579  0.7327 7.5691  96.000    3.80   1.66   -0.56  -0.23  
1 1 1 40 26 2  o 9.4473  0.3007 10.669  -178.4000 -1.49  0.58   1.05   0.25   
1 1 1 40 26 3  o 5.6628  0.2436 5.2254  177.400   -0.92  0.26   -0.03  0.25   
1 1 1 40 26 4  o 8.6843  0.3820 8.4468  -146.5000 -6.99  -0.82  -1.81  0.17   
1 1 1 40 26 5  o 12.902  0.4607 11.340  82.700    -5.09  2.67   -0.72  0.45   
1 1 1 40 26 6  o 20.851  0.3622 20.551  -49.4000  1.17   -4.17  0.63   -0.36  
1 1 1 40 26 7  o 12.352  0.1782 12.211  -92.4000  2.07   -0.67  -0.51  -0.32  
1 1 1 40 26 8  f 2.9468  0.3571 2.3060  49.200    0.67   -0.28  -0.01  0.10   
1 1 1 40 26 9  o 8.5230  0.2230 6.5056  115.900   -1.50  -0.31  -0.23  0.18   
1 1 1 40 26 10 o 8.2966  0.4399 7.1975  52.800    0.19   2.40   0.19   0.08   
1 1 1 40 26 11 o 2.8153  0.8751 4.2989  -45.0000  -0.09  -0.26  0.01   0.00   
1 1 1 40 26 12 o 12.734  0.1721 12.922  148.300   -0.77  -0.22  0.05   -0.03  
1 1 1 40 26 13 o 4.7980  0.5253 4.8298  12.000    0.11   0.40   -0.00  -0.01  
1 1 1 40 26 14 o 9.0647  0.2561 8.9438  94.500    1.43   0.30   0.20   -0.05  
1 1 1 40 26 15 f 9.4382  0.2574 10.698  -3.6000   1.20   0.96   0.16   0.10   
1 1 1 40 26 16 o 5.2217  0.4881 ?       ?         0.26   -0.53  -0.02  -0.01  
1 1 1 40 26 17 o 3.9223  0.6145 ?       ?         0.46   -0.08  0.01   -0.01  
1 1 1 40 26 18 f 7.5029  0.4678 ?       ?         -0.93  -0.14  0.02   0.01   
1 1 1 40 26 19 o 2.8694  1.3176 ?       ?         0.01   0.48   -0.00  -0.00  
1 1 1 40 26 20 o 1.8031  1.2984 ?       ?         0.65   -0.03  0.01   -0.00  
1 1 1 40 27 0  o 12.422  0.3369 13.706  -0.0000   -0.46  0.00   0.00   0.00   
1 1 1 40 27 1  o 3.5660  0.6201 2.4494  81.100    0.25   0.19   -0.02  -0.01  
1 1 1 40 27 2  o 7.9130  0.2959 8.4096  137.500   0.45   0.08   -0.02  0.05   
1 1 1 40 27 3  o 4.3941  0.4933 3.6188  -23.4000  -0.15  0.52   0.05   -0.10  
1 1 1 40 27 4  o 13.904  0.1785 12.024  -146.7000 0.37   -0.41  0.02   -0.11  
1 1 1 40 27 5  f 14.664  0.4840 14.063  -118.3000 -3.23  0.70   -0.15  0.24   
1 1 1 40 27 6  f 3.3683  0.4106 1.8737  8.6000    1.41   0.05   -0.22  0.17   
1 1 1 40 27 7  o 1.5194  0.5415 1.7717  7.1000    0.08   0.21   0.02   0.00   
1 1 1 40 27 8  o 7.0877  0.4301 6.1153  37.600    2.41   -0.41  -0.25  -0.04  
1 1 1 40 27 9  o 7.2663  0.2717 6.2454  121.700   -0.32  0.06   -0.01  -0.00  
1 1 1 40 27 10 o 8.3277  0.2020 7.8366  108.100   -0.75  0.47   0.14   -0.20  
1 1 1 40 27 11 o 4.8600  0.4312 5.6928  -150.3000 0.74   -1.25  -0.06  0.15   
1 1 1 40 27 12 o 6.1217  0.2937 6.2294  178.400   -1.23  -0.94  0.24   -0.09  
1 1 1 40 27 13 o 7.6976  0.3745 7.5188  43.600    -0.33  -0.64  -0.02  -0.02  
1 1 1 40 27 14 f 6.3943  0.3226 5.8987  -84.7000  -0.23  -1.63  -0.23  0.25   
1 1 1 40 27 15 o 9.7614  0.2692 ?       ?         -2.17  -0.48  0.20   0.13   
1 1 1 40 27 16 o 6.3927  0.4284 ?       ?         0.42   0.10   0.01   0.00   
1 1 1 40 27 17 o 7.9799  1.0857 ?       ?         -1.63  1.18   -0.04  -0.02  
1 1 1 40 27 18 o 6.8173  0.7762 ?       ?         1.90   -1.60  0.06   0.00   
1 1 1 40 27 19 o 2.5867  1.2696 ?       ?         0.17   -0.32  0.00   -0.00  
1 1 1 40 28 0  o 3.7014  0.7957 4.4861  -180.0000 0.14   0.00   0.00   0.00   
1 1 1 40 28 1  o 7.2584  0.3687 6.7504  68.100    0.29   -0.09  0.04   -0.00  
1 1 1 40 28 2  o 6.0745  0.3980 6.1866  -169.0000 -0.32  -0.04  0.06   0.02   
1 1 1 40 28 3  o 10.426  0.2659 8.4639  73.100    -0.24  -0.36  0.02   0.03   
1 1 1 40 28 4  f 10.497  0.2963 7.6519  -150.8000 0.13   -0.12  -0.00  -0.00  
1 1 1 40 28 5  o 5.9237  0.2815 6.5510  -154.0000 -0.15  -0.04  0.01   -0.01  
1 1 1 40 28 6  o 5.1021  0.2460 4.4394  116.400   0.78   0.53   0.06   -0.13  
1 1 1 40 28 7  o 4.8972  0.4413 4.2947  -108.1000 -1.68  2.05   -0.08  0.34   
1 1 1 40 28 8  o 4.4775  0.2714 5.2677  -39.2000  -0.44  -0.38  0.07   -0.04  
1 1 1 40 28 9  o 3.7211  0.3099 4.9444  -58.9000  0.14   0.25   0.03   0.02   
1 1 1 40 28 10 o 5.5272  0.5017 5.0385  138.600   0.34   0.31   0.01   -0.01  
1 1 1 40 28 11 o 2.7944  0.4762 2.4909  -135.7000 0.14   -0.04  -0.00  -0.00  
1 1 1 40 28 12 f 5.3676  0.3291 5.6844  -106.3000 -0.23  -0.86  -0.01  0.14   
1 1 1 40 28 13 o 8.4149  0.2491 8.2864  103.300   -0.71  0.18   0.06   -0.00  
1 1 1 40 28 14 o 8.9915  0.2506 8.5750  177.400   -0.14  0.76   -0.05  -0.02  
1 1 1 40 28 15 o 4.4910  0.5175 ?       ?         0.15   0.23   -0.00  0.00   
1 1 1 40 28 16 o 4.9869  0.5539 ?       ?         0.47   1.01   -0.03  0.02   
1 1 1 40 28 17 o 5.5401  0.5655 ?       ?         -1.45  -0.53  0.04   0.00   
1 1 1 40 28 18 o 6.2121  0.6746 ?       ?         -1.04  0.61   -0.00  -0.01  
1 1 1 40 28 19 o 4.5324  1.1491 ?       ?         -0.92  0.05   0.00   0.00   
1 1 1 40 29 0  o 7.9120  0.5151 8.5891  0.0000    0.86   0.00   0.00   0.00   
1 1 1 40 29 1  o 12.419  0.2297 11.326  142.100   -0.29  0.63   -0.10  -0.04  
1 1 1 40 29 2  f 11.046  0.2779 10.816  172.000   0.81   -0.66  -0.12  -0.17  
1 1 1 40 29 3  o 6.0262  0.3703 5.6783  52.200    -0.50  -0.01  0.11   0.01   
1 1 1 40 29 4  o 3.1279  1.4326 1.6062  -61.7000  -0.54  0.36   0.01   0.04   
1 1 1 40 29 5  f 2.8041  0.5966 4.4597  -37.8000  0.14   0.04   0.00   -0.01  
1 1 1 40 29 6  o 6.2229  0.3017 5.2087  57.700    0.05   0.64   -0.11  -0.08  
1 1 1 40 29 7  o 7.6791  0.3335 8.1278  -164.4000 -1.72  0.02   -0.13  -0.12  
1 1 1 40 29 8  o 4.2193  0.2833 3.9174  109.500   -0.79  0.65   0.34   0.10   
1 1 1 40 29 9  o 5.3396  0.3074 3.6875  -47.8000  -0.60  -0.94  0.11   -0.03  
1 1 1 40 29 10 o 8.2424  0.2159 7.8618  -171.2000 -0.21  -1.70  0.16   0.27   
1 1 1 40 29 11 o 4.1108  0.3732 2.7930  4.0000    -0.05  -1.07  0.02   -0.12  
1 1 1 40 29 12 o 4.8397  0.3546 3.4441  66.500    0.75   0.89   -0.16  -0.01  
1 1 1 40 29 13 o 7.2988  0.3906 7.3888  174.700   0.15   0.03   -0.00  0.00   
1 1 1 40 29 14 o 2.7820  0.5739 ?       ?         -0.00  0.01   -0.00  0.00   
1 1 1 40 29 15 o 5.1351  0.5389 ?       ?         0.18   0.02   0.00   0.00   
1 1 1 40 29 16 f 2.4227  0.8460 ?       ?         0.13   0.36   -0.01  0.01   
1 1 1 40 29 17 o 3.6356  0.8360 ?       ?         -0.09  0.58   -0.01  -0.00  
1 1 1 40 29 18 o 3.9386  1.0232 ?       ?         -0.07  0.09   -0.00  -0.00  
1 1 1 40 29 19 o 3.0654  1.4431 ?       ?         -1.09  -0.15  0.00   0.00   
1 1 1 40 30 0  o 2.3875  1.0728 0.9941  0.0000    -0.00  0.00   0.00   0.00   
1 1 1 40 30 1  o 6.9104  0.3652 7.1058  94.800    0.80   -0.44  0.01   -0.20  
1 1 1 40 30 2  o 6.1995  0.4562 4.2711  90.100    0.43   1.10   0.10   0.11   
1 1 1 40 30 3  o 4.4671  0.5311 3.7870  75.600    0.07   0.61   -0.01  0.07   
1 1 1 40 30 4  o 5.1131  0.4367 5.2140  6.8000    0.16   -0.46  -0.02  -0.07  
1 1 1 40 30 5  o 5.0943  0.4441 4.9838  -4.5000   -0.01  -0.67  -0.03  -0.08  
1 1 1 40 30 6  o 6.4906  0.4080 5.7472  -47.5000  -1.23  1.21   0.21   0.11   
1 1 1 40 30 7  o 6.0111  0.2092 5.1466  -6.5000   -0.02  0.28   -0.04  0.00   
1 1 1 40 30 8  o 3.6955  0.6553 1.9181  -29.7000  -0.31  0.08   -0.00  0.00   
1 1 1 40 30 9  o 3.7246  0.3513 5.1242  115.700   -1.60  0.22   -0.23  -0.11  
1 1 1 40 30 10 o 5.7463  0.2427 7.1187  -164.5000 -0.68  0.32   0.13   0.04   
1 1 1 40 30 11 o 3.4063  0.5584 2.6227  -5.1000   0.21   0.43   -0.01  -0.02  
1 1 1 40 30 12 o 3.6938  0.4474 4.3256  -46.9000  0.22   -0.39  0.00   -0.03  
1 1 1 40 30 13 o 5.1229  0.8350 4.6923  129.200   -1.46  1.38   -0.09  0.06   
1 1 1 40 30 14 o 5.0904  0.4946 ?       ?         0.23   0.28   -0.00  0.00   
1 1 1 40 30 15 o 4.0879  0.6774 ?       ?         0.28   -0.49  -0.00  -0.01  
1 1 1 40 30 16 o 6.9960  2.5583 ?       ?         -0.11  0.87   0.01   -0.00  
1 1 1 40 30 17 o 0.0000  2.5752 ?       ?         -0.14  0.30   -0.00  -0.00  
1 1 1 40 30 18 o 0.0000  3.0046 ?       ?         -0.16  0.38   -0.00  -0.00  
1 1 1 40 31 0  f 4.8683  0.7102 6.4134  180.000   -0.42  0.00   0.00   0.00   
1 1 1 40 31 1  o 4.8102  0.4963 4.9154  104.200   0.37   0.58   0.05   0.09   
1 1 1 40 31 2  o 6.1526  0.4025 6.2047  -69.8000  -0.49  -0.08  -0.01  0.02   
1 1 1 40 31 3  o 4.5562  0.4985 3.6187  158.200   -0.06  -0.82  -0.10  -0.09  
1 1 1 40 31 4  o 9.6950  0.2981 9.3828  13.500    0.42   0.83   -0.08  0.11   
1 1 1 40 31 5  o 3.4413  1.1413 2.3793  14.500    0.57   0.34   -0.04  -0.01  
1 1 1 40 31 6  o 4.7747  0.4123 2.2387  -51.0000  1.21   -0.64  -0.15  -0.03  
1 1 1 40 31 7  o 10.143  0.2574 10.028  66.000    0.18   1.37   -0.08  -0.14  
1 1 1 40 31 8  o 3.2510  0.3767 1.8977  -108.3000 0.11   0.22   0.01   -0.00  
1 1 1 40 31 9  o 5.9242  0.3095 7.1939  -142.8000 -2.27  1.33   0.17   0.47   
1 1 1 40 31 10 f 8.0320  0.2973 8.3999  -53.6000  2.07   -0.10  -0.13  -0.24  
1 1 1 40 31 11 o 5.0543  0.3503 4.9815  60.300    -0.11  0.51   -0.01  -0.03  
1 1 1 40 31 12 o 3.3165  0.9610 4.3447  24.100    -0.35  -0.06  -0.01  0.00   
1 1 1 40 31 13 f 4.1863  0.5150 ?       ?         0.59   -0.08  0.02   0.00   
1 1 1 40 31 14 o 4.2968  0.6103 ?       ?         0.25   1.00   -0.03  0.03   
1 1 1 40 31 15 o 3.0335  1.4495 ?       ?         0.63   0.32   0.02   -0.00  
1 1 1 40 31 16 o 2.4667  1.2437 ?       ?         -0.09  0.16   -0.00  -0.00  
1 1 1 40 31 17 o 1.9023  1.3648 ?       ?         0.52   0.04   0.00   -0.00  
1 1 1 40 31 18 o 3.4297  1.2251 ?       ?         0.03   0.59   -0.00  0.00   
1 1 1 40 32 0  o 9.4921  0.3601 10.031  -0.0000   0.25   0.00   0.00   0.00   
1 1 1 40 32 1  o 3.6579  0.6241 3.8837  150.500   0.67   -0.22  -0.04  -0.05  
1 1 1 40 32 2  o 5.4655  0.4604 4.6605  142.000   0.20   0.14   0.01   -0.00  
1 1 1 40 32 3  o 7.8736  0.3421 5.8114  48.900    0.49   -0.01  0.03   0.02   
1 1 1 40 32 4  o 5.6831  0.4282 5.7832  138.900   0.06   0.96   -0.00  -0.08  
1 1 1 40 32 5  o 6.5573  0.4216 6.1767  123.100   -0.97  0.42   0.13   -0.10  
1 1 1 40 32 6  o 2.8051  0.7158 3.5978  -58.3000  -0.04  0.23   -0.01  0.01   
1 1 1 40 32 7  o 5.3913  0.6726 4.0257  90.800    -0.58  -0.39  0.01   -0.02  
1 1 1 40 32 8  o 5.1799  0.3806 4.2618  -81.4000  0.30   -0.93  0.06   -0.02  
1 1 1 40 32 9  o 6.0004  0.2291 4.9116  -40.2000  -0.57  0.78   -0.08  -0.21  
1 1 1 40 32 10 o 8.6246  0.1971 10.193  -159.1000 -1.56  0.51   0.32   -0.11  
1 1 1 40 32 11 o 4.2245  0.3968 4.0259  39.000    0.02   -0.29  -0.00  0.01   
1 1 1 40 32 12 o 4.1289  1.2077 3.6943  9.4000    0.68   1.15   0.05   -0.02  
1 1 1 40 32 13 o 6.0258  0.4410 ?       ?         0.45   -0.88  -0.03  -0.03  
1 1 1 40 32 14 o 2.3103  1.1173 ?       ?         -0.73  -0.60  -0.02  0.04   
1 1 1 40 32 15 o 1.2680  1.1014 ?       ?         0.28   -0.21  0.00   -0.00  
1 1 1 40 32 16 o 2.2285  1.0003 ?       ?         0.17   -0.25  -0.00  -0.01  
1 1 1 40 32 17 o 4.1473  1.1083 ?       ?         0.04   0.65   0.00   0.00   
1 1 1 40 33 0  o 4.4609  0.7161 4.1770  0.0000    -0.39  0.00   0.00   0.00   
1 1 1 40 33 1  o 10.191  0.3591 9.2614  32.400    -0.19  -1.80  0.04   0.18   
1 1 1 40 33 2  o 9.2844  0.2914 8.6634  -149.3000 -0.70  0.39   0.05   0.02   
1 1 1 40 33 3  o 7.1485  0.4702 7.0134  147.000   0.45   0.18   0.01   -0.01  
1 1 1 40 33 4  o 1.3378  0.8555 1.3915  -46.9000  -0.28  0.29   -0.03  0.02   
1 1 1 40 33 5  o 7.2260  0.3607 7.3231  6.7000    0.71   0.39   0.07   0.03   
1 1 1 40 33 6  o 7.4356  0.3595 8.1756  -90.2000  -0.61  -1.04  -0.11  0.10   
1 1 1 40 33 7  o 3.8370  0.3679 2.8710  -134.0000 -0.47  0.42   -0.04  -0.05  
1 1 1 40 33 8  o 1.9409  0.9288 2.4498  179.300   -0.27  0.58   -0.00  0.05   
1 1 1 40 33 9  o 6.7692  0.3865 5.4308  -61.1000  -0.35  1.02   -0.03  0.06   
1 1 1 40 33 10 o 2.5852  0.5287 2.3967  35.800    -0.11  0.11   -0.00  -0.00  
1 1 1 40 33 11 o 1.0814  0.8341 0.7140  157.000   -0.18  -0.01  0.00   0.01   
1 1 1 40 33 12 o 2.8237  0.7693 ?       ?         -0.10  -0.20  -0.00  -0.00  
1 1 1 40 33 13 o 4.8586  0.6351 ?       ?         0.15   0.11   0.00   0.00   
1 1 1 40 33 14 o 5.7612  0.7002 ?       ?         0.85   0.97   -0.00  0.01   
1 1 1 40 33 15 o 4.3297  2.1496 ?       ?         -0.35  0.24   -0.00  -0.00  
1 1 1 40 33 16 o 1.6125  0.8356 ?       ?         -0.17  -0.63  0.00   0.00   
1 1 1 40 34 0  o 12.590  0.3927 12.550  180.000   -0.71  0.00   0.00   0.00   
1 1 1 40 34 1  o 5.7821  0.4072 6.8392  82.400    -0.45  1.04   -0.17  -0.05  
1 1 1 40 34 2  o 4.1667  0.6021 3.6921  -17.6000  -0.10  -0.16  -0.00  -0.00  
1 1 1 40 34 3  o 10.021  0.5098 10.895  104.500   -0.94  -0.50  -0.04  0.01   
1 1 1 40 34 4  f 2.2078  0.7589 3.3943  -82.8000  -0.08  0.19   0.00   -0.01  
1 1 1 40 34 5  o 4.3177  0.5688 4.2180  117.700   -0.41  0.70   -0.03  -0.06  
1 1 1 40 34 6  o 5.8723  0.4157 5.9885  -83.8000  -1.12  -0.05  0.07   -0.08  
1 1 1 40 34 7  o 1.6391  1.0960 1.6323  -18.7000  0.26   -0.52  -0.04  0.02   
1 1 1 40 34 8  o 0.7535  1.3886 3.1477  -119.1000 0.32   0.01   0.01   -0.00  
1 1 1 40 34 9  o 5.1049  0.3564 5.4979  -118.6000 -0.66  -0.84  -0.11  0.02   
1 1 1 40 34 10 o 6.4877  0.3377 7.1794  115.700   0.72   0.81   0.00   0.10   
1 1 1 40 34 11 o 7.5874  0.4006 7.9092  142.700   -0.76  1.77   0.11   -0.10  
1 1 1 40 34 12 o 4.0790  0.7316 ?       ?         -0.19  0.76   -0.02  0.00   
1 1 1 40 34 13 o 6.2268  1.4610 ?       ?         -0.02  0.24   0.00   0.00   
1 1 1 40 34 14 o 2.5298  1.4558 ?       ?         0.27   -0.56  0.00   0.00   
1 1 1 40 35 0  o 8.0747  0.4730 8.4394  -180.0000 0.33   0.00   0.00   0.00   
1 1 1 40 35 1  o 10.526  0.2608 9.7662  108.900   -0.84  0.61   0.03   -0.09  
1 1 1 40 35 2  o 8.0495  0.3180 8.4855  74.700    -0.11  1.91   -0.35  -0.14  
1 1 1 40 35 3  o 2.0102  0.8633 3.0545  59.200    0.04   0.26   -0.01  0.01   
1 1 1 40 35 4  o 2.5939  1.0300 0.9322  18.800    -0.13  -0.22  0.01   0.01   
1 1 1 40 35 5  o 0.9770  0.9652 0.5365  112.900   0.07   -0.02  0.00   -0.00  
1 1 1 40 35 6  o 6.8080  0.9948 6.6093  110.700   1.87   0.14   -0.04  0.06   
1 1 1 40 35 7  o 0.0000  2.6591 ?       ?         0.56   0.14   0.03   0.01   
1 1 1 40 35 8  o 5.7499  0.7237 5.4891  48.200    0.11   -0.05  -0.00  -0.00  
1 1 1 40 35 9  f 3.0594  0.4396 3.3056  52.400    0.32   0.23   0.01   0.02   
1 1 1 40 35 10 o 4.9003  0.4098 5.3622  35.100    0.41   0.14   0.01   -0.00  
1 1 1 40 35 11 o 3.1747  1.4553 ?       ?         -0.62  -0.11  0.01   -0.02  
1 1 1 40 35 12 o 1.6125  1.4502 ?       ?         0.45   0.13   0.00   0.00   
1 1 1 40 36 0  o 9.4763  0.4238 12.004  -0.0000   0.39   0.00   0.00   0.00   
1 1 1 40 36 1  o 4.9871  0.7234 5.8750  110.300   -1.41  0.79   -0.10  -0.03  
1 1 1 40 36 2  o 6.9404  0.4108 6.5821  167.800   -1.19  0.09   0.07   0.05   
1 1 1 40 36 3  o 0.0000  1.9652 ?       ?         -0.14  -0.24  -0.01  0.02   
1 1 1 40 36 4  o 5.1230  0.4828 5.5976  113.100   -0.03  0.84   -0.01  0.04   
1 1 1 40 36 5  o 4.7036  1.2533 4.4207  -89.2000  -0.28  -0.20  0.00   -0.00  
1 1 1 40 36 6  o 5.7907  0.6453 6.0017  -138.9000 -0.52  -0.27  -0.00  0.01   
1 1 1 40 36 7  o 5.0877  1.4463 3.8914  70.100    -0.07  0.02   0.00   0.00   
1 1 1 40 36 8  o 6.1494  0.7114 6.1262  18.800    -0.11  0.21   -0.00  -0.00  
1 1 1 40 36 9  o 3.8542  1.6301 1.1636  -105.5000 -0.02  -1.21  0.03   -0.06  
1 1 1 40 36 10 o 3.2404  0.7477 ?       ?         1.09   -0.13  0.00   0.00   
1 1 1 40 37 0  o 3.5496  0.8354 1.0664  -0.0000   0.45   0.00   0.00   0.00   
1 1 1 40 37 1  o 6.0063  1.0362 3.8031  82.700    -0.79  0.43   -0.02  -0.00  
1 1 1 40 37 2  f 7.4201  0.4557 8.9385  49.800    1.88   0.33   0.06   0.13   
1 1 1 40 37 3  o 3.0887  1.4394 4.7918  -92.4000  -0.06  0.03   -0.00  -0.00  
1 1 1 40 37 4  o 4.3802  0.8810 1.9541  -59.1000  -0.39  -0.47  -0.00  0.01   
1 1 1 40 37 5  o 6.8484  0.6241 7.2510  -173.8000 -0.27  -0.31  -0.00  0.00   
1 1 1 40 37 6  o 6.7608  0.6265 7.2740  -3.0000   0.07   1.48   -0.04  -0.01  
1 1 1 40 37 7  o 5.7755  0.7894 6.1707  112.500   -0.32  -0.18  0.00   0.00   
1 1 1 40 37 8  o 3.2245  1.0218 3.1745  -65.7000  -0.65  -0.37  0.00   0.02   
1 1 1 40 37 9  o 2.6170  0.7698 ?       ?         0.89   0.21   0.05   -0.01  
1 1 1 40 38 0  o 0.0000  3.7283 0.7691  180.000   0.09   0.00   0.00   0.00   
1 1 1 40 38 1  o 5.0131  0.8557 5.1075  -142.3000 0.07   -0.12  -0.00  -0.00  
1 1 1 40 38 2  o 1.7572  1.1356 2.4905  -133.3000 -0.11  0.26   -0.01  -0.00  
1 1 1 40 38 3  o 1.9946  1.2202 3.4871  23.000    0.42   0.19   0.00   0.01   
1 1 1 40 38 4  f 5.6013  1.1658 5.4358  -159.5000 -0.38  -0.81  -0.01  -0.01  
1 1 1 40 38 5  o 6.6679  0.6189 5.6742  -70.2000  0.72   -1.76  -0.01  -0.05  
1 1 1 40 38 6  o 4.9441  0.8116 5.0921  -129.1000 -0.61  -0.44  0.00   0.01   
1 1 1 40 38 7  o 1.8621  1.1770 3.6132  -126.2000 0.38   0.16   0.01   0.00   
1 1 1 40 38 8  o 4.7384  0.8200 ?       ?         -0.67  0.26   0.01   0.00   
1 1 1 40 39 0  o 6.7380  0.8793 5.9159  -180.0000 -0.63  0.00   0.00   0.00   
1 1 1 40 39 1  o 2.4206  0.9544 1.0608  -59.5000  0.57   0.44   0.01   0.03   
1 1 1 40 39 2  o 6.6767  0.7863 4.8825  -76.5000  0.56   -0.44  -0.01  -0.00  
1 1 1 40 39 3  o 0.9786  1.2798 1.1499  -33.5000  -0.28  -0.13  0.00   0.00   
1 1 1 40 39 4  o 0.0000  2.6059 ?       ?         0.21   0.04   0.00   0.00   
1 1 1 40 39 5  o 6.1150  0.6673 6.4104  -156.5000 -0.51  -0.43  0.01   0.00   
1 1 1 40 39 6  o 2.6221  1.2777 1.8437  61.900    -0.07  -0.24  -0.00  -0.00  
1 1 1 40 39 7  o 5.2258  0.9400 ?       ?         0.64   0.55   0.00   0.00   
1 1 1 40 40 0  o 3.5917  1.3921 3.8964  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 40 40 1  o 2.8284  1.4554 2.5586  -90.0000  -0.00  -0.13  0.00   0.00   
1 1 1 40 40 2  o 0.0000  3.7683 1.9498  -180.0000 0.01   0.00   0.00   0.00   
1 1 1 40 40 3  o 2.7568  1.4818 4.0328  -90.0000  -0.00  -0.05  0.00   0.00   
1 1 1 40 40 4  o 1.2247  1.4182 0.2154  -0.0000   -0.09  0.00   0.00   0.00   
1 1 1 40 40 5  o 1.5166  1.6490 2.6906  90.000    0.00   0.02   0.00   0.00   
1 1 1 41 0  1  o 6.4031  0.2767 6.3920  -135.0000 -0.06  -0.06  0.00   0.00   
1 1 1 41 0  2  o 2.8983  0.4821 1.5399  -178.8000 -0.04  0.00   0.00   0.00   
1 1 1 41 0  3  o 7.5166  0.2322 6.1046  -44.9000  0.06   -0.06  0.00   0.00   
1 1 1 41 0  4  o 21.452  0.1849 23.502  90.000    0.00   0.26   0.00   0.00   
1 1 1 41 0  5  o 6.5879  0.2766 10.751  -135.1000 -0.10  -0.10  0.00   0.00   
1 1 1 41 0  6  o 2.4698  0.5902 2.6979  -179.7000 0.00   0.00   0.00   0.00   
1 1 1 41 0  7  o 9.0719  0.2572 11.941  135.000   -0.05  0.05   0.00   0.00   
1 1 1 41 0  8  o 8.5849  0.2763 8.9107  90.000    0.00   0.15   0.00   0.00   
1 1 1 41 0  9  o 5.8652  0.3833 3.0828  -135.0000 0.25   0.25   0.00   0.00   
1 1 1 41 0  10 o 14.032  0.2141 13.193  -180.0000 -0.05  0.00   0.00   0.00   
1 1 1 41 0  11 o 8.8769  0.2942 6.2935  135.000   -0.09  0.09   0.00   0.00   
1 1 1 41 0  12 o 4.1593  0.5199 3.5577  -90.0000  -0.00  -0.11  0.00   0.00   
1 1 1 41 0  13 o 14.775  0.2365 13.474  45.000    -0.11  -0.11  0.00   0.00   
1 1 1 41 0  14 o 5.4129  0.4661 5.9638  0.0000    0.23   0.00   0.00   0.00   
1 1 1 41 0  15 o 6.1482  0.4533 5.3159  135.000   0.01   -0.01  0.00   0.00   
1 1 1 41 0  16 f 4.6152  0.5910 7.3495  90.000    0.00   0.04   0.00   0.00   
1 1 1 41 0  17 o 2.7386  0.7720 3.2443  -135.0000 -0.05  -0.05  0.00   0.00   
1 1 1 41 0  18 o 17.467  0.2539 18.774  -180.0000 -1.73  0.00   0.00   0.00   
1 1 1 41 0  19 o 3.0166  0.8213 ?       ?         -0.08  0.08   0.00   0.00   
1 1 1 41 0  20 o 3.2863  0.8283 ?       ?         -0.00  -0.09  0.00   0.00   
1 1 1 41 0  21 o 7.5763  0.4713 ?       ?         -0.40  -0.40  0.00   0.00   
1 1 1 41 0  22 o 0.0000  3.4351 ?       ?         -0.21  0.00   0.00   0.00   
1 1 1 41 0  23 o 2.4495  1.8049 ?       ?         0.10   -0.10  0.00   0.00   
1 1 1 41 1  0  o 10.271  0.2005 14.164  -0.1000   -0.09  0.00   0.00   0.00   
1 1 1 41 1  1  o 3.8181  0.5379 2.8680  49.600    0.46   3.15   0.53   -0.23  
1 1 1 41 1  2  o 7.1018  0.2460 6.5799  -92.3000  -2.00  -1.87  0.15   -0.97  
1 1 1 41 1  3  o 9.4347  0.3470 10.282  95.900    -1.31  3.62   0.72   0.41   
1 1 1 41 1  4  o 9.2343  0.2408 10.245  -176.2000 -0.41  -1.90  0.33   -0.28  
1 1 1 41 1  5  o 21.016  0.1302 21.589  47.100    1.31   -0.42  0.01   0.62   
1 1 1 41 1  6  o 2.6410  0.4396 1.6921  89.200    0.61   0.03   -0.15  0.05   
1 1 1 41 1  7  f 4.4347  0.6591 2.5509  -17.7000  0.50   -1.46  0.07   0.07   
1 1 1 41 1  8  o 16.524  0.2670 14.856  110.100   -1.93  3.71   1.22   0.60   
1 1 1 41 1  9  o 4.7276  0.3112 4.4832  -152.6000 0.00   -0.06  0.00   0.00   
1 1 1 41 1  10 o 9.3852  0.1903 10.250  -101.7000 0.35   0.42   0.12   -0.05  
1 1 1 41 1  11 o 8.1780  0.2237 8.0021  -29.1000  0.68   -1.03  0.42   0.14   
1 1 1 41 1  12 o 11.463  0.1830 9.2526  -29.9000  0.28   0.02   0.05   -0.04  
1 1 1 41 1  13 o 10.348  0.2317 9.5943  124.000   0.12   0.41   0.03   0.01   
1 1 1 41 1  14 o 12.789  0.2535 14.961  17.800    3.14   2.14   0.94   -1.08  
1 1 1 41 1  15 o 5.4947  0.3348 6.7330  39.900    -0.40  0.28   -0.06  -0.00  
1 1 1 41 1  16 o 7.8325  0.2769 8.3348  -81.2000  0.34   -0.37  -0.06  -0.00  
1 1 1 41 1  17 o 4.2454  0.6709 3.4149  70.400    0.27   -0.96  0.07   -0.02  
1 1 1 41 1  18 o 8.9534  0.2686 8.9618  -135.7000 -1.72  -0.43  0.10   0.43   
1 1 1 41 1  19 o 6.0331  0.3904 ?       ?         0.23   0.02   0.00   0.00   
1 1 1 41 1  20 o 5.8367  0.4006 ?       ?         -0.72  0.02   0.03   -0.02  
1 1 1 41 1  21 o 1.6121  0.9769 ?       ?         0.04   0.07   -0.00  -0.00  
1 1 1 41 1  22 o 6.8869  2.1389 ?       ?         -1.85  1.97   0.05   0.04   
1 1 1 41 1  23 o 3.9115  1.6427 ?       ?         -0.09  -0.18  0.00   0.00   
1 1 1 41 2  0  o 3.5637  0.4457 0.0888  -148.1000 -0.05  0.00   0.00   0.00   
1 1 1 41 2  1  o 15.447  0.6239 15.786  -12.8000  8.40   17.55  4.45   -4.08  
1 1 1 41 2  2  o 18.309  0.1244 19.120  126.600   -0.62  0.15   -0.08  -0.59  
1 1 1 41 2  3  o 13.871  0.1524 17.583  30.300    1.67   -1.56  0.53   1.13   
1 1 1 41 2  4  o 9.9401  0.2509 8.0134  -113.2000 3.10   -1.62  -0.91  0.77   
1 1 1 41 2  5  o 12.124  0.1477 12.425  78.500    -0.88  0.92   0.20   0.34   
1 1 1 41 2  6  o 24.119  0.1858 26.770  64.900    4.62   2.67   -3.62  -0.72  
1 1 1 41 2  7  o 20.591  0.1752 19.907  -61.4000  1.65   3.44   2.30   -0.16  
1 1 1 41 2  8  o 5.8330  0.2559 7.3248  47.300    0.44   -0.22  0.02   0.17   
1 1 1 41 2  9  o 3.8190  0.4278 3.4265  112.700   0.03   0.43   0.02   -0.01  
1 1 1 41 2  10 o 19.541  0.1497 18.159  -28.9000  0.86   -0.28  0.37   -0.26  
1 1 1 41 2  11 o 8.7374  0.2174 9.0751  146.100   -1.80  -1.11  0.18   -0.80  
1 1 1 41 2  12 o 3.9695  0.4097 4.4915  -88.2000  -0.06  0.03   0.00   0.00   
1 1 1 41 2  13 f 3.0141  1.3489 0.9128  -170.4000 -0.50  -0.43  0.00   -0.03  
1 1 1 41 2  14 o 3.7771  0.4442 3.9818  -40.2000  0.91   0.12   -0.07  -0.11  
1 1 1 41 2  15 o 3.0677  1.0855 1.2136  141.100   0.40   -0.24  -0.02  0.01   
1 1 1 41 2  16 o 10.468  0.2200 9.9512  -22.7000  0.54   -0.97  0.07   -0.30  
1 1 1 41 2  17 o 7.5819  0.2657 6.4636  -84.1000  0.18   -0.33  -0.02  0.01   
1 1 1 41 2  18 o 17.582  0.2471 18.025  150.900   -3.95  -0.77  -0.18  0.73   
1 1 1 41 2  19 o 6.4227  0.3480 ?       ?         0.46   0.15   0.02   0.02   
1 1 1 41 2  20 o 4.8029  0.4597 ?       ?         -0.78  -0.37  0.00   0.06   
1 1 1 41 2  21 o 5.1638  0.4654 ?       ?         -0.32  -0.21  0.01   0.00   
1 1 1 41 2  22 o 4.8800  0.8215 ?       ?         0.03   0.81   -0.01  -0.00  
1 1 1 41 2  23 o 7.6026  1.0837 ?       ?         -1.00  0.61   0.00   0.00   
1 1 1 41 3  0  o 43.520  0.2853 42.560  180.000   -0.87  0.00   0.00   0.00   
1 1 1 41 3  1  o 13.074  0.2125 13.384  -134.8000 0.73   -1.30  0.06   0.27   
1 1 1 41 3  2  o 28.760  0.1581 27.160  -143.0000 -1.86  -2.12  3.26   0.88   
1 1 1 41 3  3  o 5.6993  0.3812 7.9086  -50.4000  -1.04  -0.65  -0.03  -0.10  
1 1 1 41 3  4  o 22.246  0.1349 25.018  -176.6000 -0.36  0.75   -0.74  -0.16  
1 1 1 41 3  5  o 13.518  0.2688 15.793  156.100   -1.61  2.06   -0.03  0.53   
1 1 1 41 3  6  o 7.1077  0.2250 3.6215  -3.9000   1.49   1.80   2.34   -1.95  
1 1 1 41 3  7  o 15.338  0.2248 16.590  69.700    -2.14  2.54   -0.40  1.06   
1 1 1 41 3  8  o 4.7791  0.8316 3.1917  19.200    -0.95  0.85   -0.01  0.05   
1 1 1 41 3  9  o 24.018  0.1707 25.934  -136.9000 -0.15  -2.18  -0.29  0.98   
1 1 1 41 3  10 o 5.6099  0.2793 8.1172  172.000   0.15   0.33   0.06   -0.00  
1 1 1 41 3  11 f 4.6073  0.3465 3.9883  6.7000    -0.23  -0.21  -0.17  0.08   
1 1 1 41 3  12 o 8.0111  0.2463 7.7982  55.100    2.26   -0.58  -0.82  -0.11  
1 1 1 41 3  13 o 9.0996  0.2736 8.6745  43.900    -0.32  -0.44  0.04   -0.02  
1 1 1 41 3  14 o 0.9566  0.8168 1.4860  12.600    0.07   0.04   0.01   -0.00  
1 1 1 41 3  15 o 15.676  0.1980 15.806  -95.1000  0.35   -1.60  -0.05  0.27   
1 1 1 41 3  16 o 8.0642  0.2492 7.8356  -142.6000 -0.12  0.11   -0.01  -0.00  
1 1 1 41 3  17 f 1.3555  0.8241 1.5727  145.600   -0.03  0.17   -0.02  0.01   
1 1 1 41 3  18 o 1.3173  0.8347 0.7983  85.500    -0.15  -0.23  0.03   0.03   
1 1 1 41 3  19 o 5.4450  0.3949 ?       ?         0.09   0.34   -0.00  0.01   
1 1 1 41 3  20 o 4.4581  0.7441 ?       ?         0.21   -0.25  0.01   -0.00  
1 1 1 41 3  21 o 7.1080  0.4938 ?       ?         0.64   -0.84  0.03   -0.02  
1 1 1 41 3  22 o 2.5471  1.1112 ?       ?         -0.86  -0.40  0.03   0.01   
1 1 1 41 3  23 o 5.0695  1.4004 ?       ?         -0.57  0.44   0.00   0.00   
1 1 1 41 4  0  o 31.688  0.8555 25.172  179.900   -0.78  0.00   0.00   0.00   
1 1 1 41 4  1  o 8.5167  0.1563 8.4714  -11.8000  -0.05  -0.45  0.11   -0.12  
1 1 1 41 4  2  o 15.257  0.3710 17.903  148.700   -0.46  0.51   0.01   0.02   
1 1 1 41 4  3  o 12.105  0.2251 12.819  89.800    2.11   2.67   -0.10  -1.33  
1 1 1 41 4  4  o 9.4247  0.2388 10.654  2.0000    1.50   1.89   0.31   -0.57  
1 1 1 41 4  5  o 9.6612  0.3605 8.1821  137.400   -3.83  1.27   -0.70  0.35   
1 1 1 41 4  6  o 6.6479  0.2401 3.7006  -44.9000  3.26   1.85   -1.58  -1.36  
1 1 1 41 4  7  o 10.386  0.1653 7.4270  -126.2000 -0.25  0.01   0.04   0.10   
1 1 1 41 4  8  o 12.003  0.1550 11.891  54.800    -1.21  0.24   -0.42  -0.16  
1 1 1 41 4  9  o 11.661  0.1742 12.514  74.600    -0.80  -0.16  -0.05  0.54   
1 1 1 41 4  10 o 9.5174  0.1957 13.107  99.700    -0.43  0.37   -0.17  0.04   
1 1 1 41 4  11 o 9.9883  0.2476 8.6868  -69.0000  -1.54  -2.63  -0.09  -1.14  
1 1 1 41 4  12 o 2.2154  0.8316 1.7874  -110.5000 0.08   -0.29  0.01   0.02   
1 1 1 41 4  13 o 5.0086  0.6315 4.1013  -53.2000  0.22   -0.93  0.03   0.04   
1 1 1 41 4  14 o 4.2747  0.3973 2.6050  -117.5000 0.27   -0.89  -0.03  0.23   
1 1 1 41 4  15 o 7.7294  0.2577 8.1972  -131.4000 0.02   -0.64  0.02   0.08   
1 1 1 41 4  16 o 1.6972  0.8245 2.0431  10.0000   0.18   0.12   0.01   -0.01  
1 1 1 41 4  17 o 4.2522  0.4342 3.2629  -25.9000  0.01   -0.11  -0.00  0.00   
1 1 1 41 4  18 o 7.4433  0.3160 7.0934  4.9000    0.27   -0.35  0.02   -0.00  
1 1 1 41 4  19 o 5.1385  0.4250 ?       ?         -1.04  0.41   -0.04  -0.12  
1 1 1 41 4  20 o 4.4347  0.5260 ?       ?         0.14   -0.44  -0.01  0.01   
1 1 1 41 4  21 o 2.3096  1.0862 ?       ?         -0.02  0.56   -0.01  0.04   
1 1 1 41 4  22 o 0.0000  2.4428 ?       ?         0.36   0.25   0.01   0.01   
1 1 1 41 4  23 o 0.0000  3.7550 ?       ?         -0.13  -0.29  0.00   0.00   
1 1 1 41 5  0  o 3.1937  0.4726 2.7788  -0.2000   -0.05  0.00   0.00   0.00   
1 1 1 41 5  1  o 7.6386  0.4759 4.2582  -127.1000 -3.44  -5.86  0.57   -1.36  
1 1 1 41 5  2  f 11.967  0.2176 10.058  53.800    0.25   1.80   0.42   0.02   
1 1 1 41 5  3  o 8.2571  0.2891 9.1424  10.200    3.19   -1.02  -0.61  0.66   
1 1 1 41 5  4  o 15.429  0.4022 12.244  29.000    9.53   -2.40  -3.34  0.86   
1 1 1 41 5  5  o 16.219  0.1326 15.814  -45.0000  0.18   -0.59  -0.51  0.35   
1 1 1 41 5  6  o 8.3689  0.1981 6.6645  14.600    0.98   -1.09  -0.11  0.36   
1 1 1 41 5  7  o 5.3111  0.2621 4.4477  117.600   1.82   -0.14  -0.69  0.46   
1 1 1 41 5  8  o 14.730  0.3803 15.362  69.900    -3.89  1.37   -0.87  0.14   
1 1 1 41 5  9  o 10.184  0.3996 9.8173  83.300    -0.37  1.94   0.14   0.13   
1 1 1 41 5  10 o 10.705  0.3181 12.663  62.700    1.23   1.04   0.06   -0.18  
1 1 1 41 5  11 f 15.566  0.1560 16.375  158.600   0.73   -0.85  -0.28  0.16   
1 1 1 41 5  12 o 6.2151  0.4052 6.8643  -170.5000 -0.62  -1.39  0.17   -0.08  
1 1 1 41 5  13 o 6.9701  0.2759 5.3102  -36.7000  0.28   0.09   -0.03  0.02   
1 1 1 41 5  14 o 2.6033  0.5487 2.3166  124.600   0.49   0.25   -0.10  -0.00  
1 1 1 41 5  15 f 1.4030  0.7805 2.6753  -111.0000 -0.11  0.03   0.01   0.01   
1 1 1 41 5  16 o 6.7446  0.3028 6.8291  158.800   -0.78  -0.13  -0.04  0.12   
1 1 1 41 5  17 o 7.0173  0.2963 7.5080  121.500   -0.61  1.94   0.35   -0.56  
1 1 1 41 5  18 o 4.5872  0.4584 3.9726  -154.3000 -0.06  -0.32  0.01   0.01   
1 1 1 41 5  19 f 0.6355  0.8697 ?       ?         0.04   -0.15  -0.01  0.01   
1 1 1 41 5  20 o 7.1655  0.7270 ?       ?         0.95   -0.98  0.05   0.01   
1 1 1 41 5  21 f 0.0000  2.0472 ?       ?         0.11   -0.21  0.00   -0.01  
1 1 1 41 5  22 o 2.5481  0.9922 ?       ?         -0.18  -0.03  0.00   0.00   
1 1 1 41 5  23 o 4.0827  1.0613 ?       ?         0.32   0.06   0.00   -0.00  
1 1 1 41 6  0  o 29.496  0.2404 25.911  -0.0000   0.22   0.00   0.00   0.00   
1 1 1 41 6  1  o 8.5541  0.5278 7.8757  175.800   -9.90  3.26   -2.24  1.31   
1 1 1 41 6  2  o 8.2362  0.1614 12.697  -51.7000  -0.66  -1.06  -0.33  -1.46  
1 1 1 41 6  3  o 21.573  0.1357 19.321  21.800    1.40   0.08   -0.17  -0.86  
1 1 1 41 6  4  o 2.2204  1.0067 1.2545  151.800   0.63   0.15   -0.07  -0.02  
1 1 1 41 6  5  f 13.685  0.2500 13.098  54.700    4.30   0.71   -1.48  0.05   
1 1 1 41 6  6  o 16.333  0.3541 12.612  -6.0000   3.66   -5.11  0.04   1.53   
1 1 1 41 6  7  o 8.6038  0.4768 12.161  -107.1000 3.69   -3.75  -0.15  0.86   
1 1 1 41 6  8  o 6.8521  0.2304 6.7195  -99.2000  -0.23  -0.28  0.10   -0.02  
1 1 1 41 6  9  o 15.368  0.6763 15.298  -52.9000  9.14   -7.67  -0.75  1.71   
1 1 1 41 6  10 o 11.739  0.1948 9.3513  -150.3000 -0.86  -0.55  0.35   -0.24  
1 1 1 41 6  11 o 12.526  0.2569 12.776  -9.4000   2.45   -3.28  1.21   1.01   
1 1 1 41 6  12 o 2.9866  0.5110 2.3667  -13.5000  0.09   0.26   0.03   0.01   
1 1 1 41 6  13 o 8.2858  0.5162 7.8971  -166.1000 -0.39  0.91   0.01   0.04   
1 1 1 41 6  14 o 6.9324  0.2994 7.0082  135.200   -0.99  0.43   -0.16  -0.02  
1 1 1 41 6  15 o 5.8858  0.4419 5.5797  -6.4000   0.33   -0.08  -0.00  0.01   
1 1 1 41 6  16 o 4.8595  0.3826 4.7758  -11.1000  -0.13  -0.33  0.01   0.05   
1 1 1 41 6  17 o 10.120  0.2311 11.327  51.800    0.77   0.94   -0.20  0.18   
1 1 1 41 6  18 o 8.4180  0.2930 7.5790  -0.8000   1.19   0.58   -0.12  0.07   
1 1 1 41 6  19 f 3.7829  0.5479 ?       ?         -0.07  -0.04  -0.00  0.00   
1 1 1 41 6  20 o 2.1496  1.0352 ?       ?         0.26   0.28   0.02   0.00   
1 1 1 41 6  21 f 5.5949  0.4945 ?       ?         0.12   -0.45  -0.00  -0.01  
1 1 1 41 6  22 o 3.1837  1.0618 ?       ?         0.62   -0.07  0.01   0.00   
1 1 1 41 7  0  o 9.0056  0.2274 10.669  179.900   0.01   0.00   0.00   0.00   
1 1 1 41 7  1  o 5.9206  0.6125 7.1394  -6.4000   1.54   0.05   -0.06  -0.01  
1 1 1 41 7  2  o 17.070  0.7561 16.255  -0.9000   11.75  -11.42 0.30   2.65   
1 1 1 41 7  3  o 11.922  0.1375 13.390  -1.9000   0.41   0.32   0.09   -0.15  
1 1 1 41 7  4  f 2.1204  0.4619 6.6953  96.400    0.03   0.00   0.00   0.01   
1 1 1 41 7  5  o 12.869  0.1448 12.104  11.000    0.27   0.88   0.18   -0.01  
1 1 1 41 7  6  o 10.781  0.1451 11.978  -91.7000  0.86   -0.85  -0.23  0.35   
1 1 1 41 7  7  o 5.6622  0.2684 6.0939  -95.4000  0.61   -0.27  -0.35  -0.01  
1 1 1 41 7  8  o 15.646  0.1397 13.218  -143.5000 -1.04  -0.75  -0.47  0.01   
1 1 1 41 7  9  o 9.8496  0.1841 9.5842  124.200   -0.22  1.10   0.01   0.63   
1 1 1 41 7  10 o 15.466  0.1647 14.925  179.600   -0.57  -1.04  0.30   0.66   
1 1 1 41 7  11 o 10.743  0.1820 12.884  118.300   -0.33  0.74   -0.18  -0.85  
1 1 1 41 7  12 o 15.473  0.2117 15.464  -138.5000 -0.13  -0.05  0.00   -0.00  
1 1 1 41 7  13 o 4.1757  0.4088 5.1662  0.1000    -0.33  0.34   -0.04  0.03   
1 1 1 41 7  14 o 3.4888  0.4735 2.3642  -97.9000  -0.79  -0.51  0.06   -0.14  
1 1 1 41 7  15 o 4.0654  0.4303 5.3261  -164.6000 0.06   0.10   -0.00  -0.00  
1 1 1 41 7  16 o 6.5757  0.3278 6.7302  -31.3000  0.63   0.21   -0.04  0.03   
1 1 1 41 7  17 o 6.7922  0.3150 7.6336  -96.8000  -0.81  -0.33  0.05   0.20   
1 1 1 41 7  18 o 1.8123  0.7357 3.6545  1.8000    0.33   -0.15  0.05   -0.05  
1 1 1 41 7  19 o 4.5746  0.4941 ?       ?         -0.20  -0.08  -0.00  0.00   
1 1 1 41 7  20 o 1.7743  0.9537 ?       ?         -0.10  -0.00  0.00   0.00   
1 1 1 41 7  21 o 6.0483  0.5034 ?       ?         -0.12  -0.02  0.00   0.00   
1 1 1 41 7  22 o 5.1544  0.8437 ?       ?         1.23   -0.43  0.00   -0.02  
1 1 1 41 8  0  o 5.7359  0.2979 8.3394  -0.1000   0.03   0.00   0.00   0.00   
1 1 1 41 8  1  o 4.4644  0.2516 6.3684  61.800    0.19   0.31   0.00   -0.07  
1 1 1 41 8  2  o 7.5547  0.2415 8.3004  5.8000    1.29   -0.68  -0.19  0.17   
1 1 1 41 8  3  o 9.6283  0.1655 7.4976  -128.1000 0.27   -0.20  -0.03  0.03   
1 1 1 41 8  4  o 12.638  0.2703 14.943  32.300    4.07   2.28   -1.24  -1.12  
1 1 1 41 8  5  o 11.225  0.1504 9.5980  19.300    1.33   -1.78  -0.19  0.98   
1 1 1 41 8  6  o 4.5297  0.2686 5.0343  -100.5000 -0.31  -0.21  -0.59  0.33   
1 1 1 41 8  7  o 2.3518  1.0765 0.9880  -155.2000 -0.34  -0.92  0.11   -0.06  
1 1 1 41 8  8  o 10.865  0.2954 8.7888  -114.7000 -2.96  -1.77  -0.87  -0.56  
1 1 1 41 8  9  o 10.667  0.3875 10.539  151.400   -3.52  3.68   -0.35  1.14   
1 1 1 41 8  10 o 14.243  0.1781 13.288  30.000    1.21   0.37   -0.01  -0.27  
1 1 1 41 8  11 o 5.2978  0.3515 4.8921  -30.8000  0.49   0.19   -0.01  -0.03  
1 1 1 41 8  12 o 3.4151  0.4424 4.4917  -133.0000 -0.27  0.36   0.03   0.03   
1 1 1 41 8  13 o 11.610  0.1910 10.878  -118.0000 0.53   -0.54  0.18   -0.06  
1 1 1 41 8  14 o 11.307  0.3812 11.046  128.100   -2.30  2.39   -0.39  0.46   
1 1 1 41 8  15 o 12.429  0.1894 12.463  -77.6000  0.47   -0.18  0.00   -0.05  
1 1 1 41 8  16 o 10.663  0.2167 12.132  83.200    -0.07  0.66   -0.09  0.02   
1 1 1 41 8  17 o 2.9388  0.6242 1.1899  -118.2000 0.14   -0.34  -0.01  0.02   
1 1 1 41 8  18 o 4.7770  0.4408 4.2955  -16.9000  -0.04  0.45   -0.02  -0.03  
1 1 1 41 8  19 o 3.4075  0.6168 ?       ?         0.20   -0.05  0.00   0.00   
1 1 1 41 8  20 o 3.5845  0.8757 ?       ?         0.11   -0.17  0.00   -0.00  
1 1 1 41 8  21 o 6.9071  0.4380 ?       ?         -0.48  0.29   -0.00  -0.01  
1 1 1 41 8  22 o 7.1870  0.6886 ?       ?         -1.44  -0.81  0.00   0.01   
1 1 1 41 9  0  o 3.3764  0.4187 6.9289  0.1000    -0.04  0.00   0.00   0.00   
1 1 1 41 9  1  o 12.699  0.1279 13.068  -177.8000 -0.10  -0.24  0.07   0.16   
1 1 1 41 9  2  o 8.1367  0.1592 9.1460  77.100    1.48   -1.07  0.04   0.84   
1 1 1 41 9  3  o 18.567  0.1246 21.400  -119.0000 0.82   -1.84  -0.20  1.33   
1 1 1 41 9  4  o 5.5520  0.2270 3.6574  88.500    -0.29  -0.38  -0.03  -0.10  
1 1 1 41 9  5  o 7.5462  0.2058 5.7113  -140.8000 -2.77  -1.10  -0.65  -1.25  
1 1 1 41 9  6  o 7.9322  0.2332 7.9701  -129.7000 -1.61  -1.55  0.20   -0.60  
1 1 1 41 9  7  o 1.7716  0.5881 2.4578  -83.2000  0.13   -0.12  -0.01  0.02   
1 1 1 41 9  8  o 8.4353  0.3125 5.4728  -8.3000   0.36   -2.32  0.36   0.32   
1 1 1 41 9  9  o 11.182  0.2503 10.155  -75.0000  -1.46  0.48   -0.25  0.02   
1 1 1 41 9  10 o 3.7928  0.3920 4.9896  152.300   -0.47  0.36   0.06   0.11   
1 1 1 41 9  11 o 4.5482  0.3629 1.0287  -93.4000  -0.18  0.30   0.02   0.01   
1 1 1 41 9  12 o 10.145  0.3662 11.050  115.000   -1.48  0.58   -0.18  0.02   
1 1 1 41 9  13 f 4.9808  0.3374 8.1239  80.300    0.47   -0.64  -0.23  0.14   
1 1 1 41 9  14 o 6.2160  0.2971 5.9760  -68.1000  -0.45  -0.59  -0.06  -0.06  
1 1 1 41 9  15 o 3.4133  0.4994 2.9422  -149.8000 0.00   0.45   0.02   0.04   
1 1 1 41 9  16 o 4.5792  0.4005 6.2141  50.900    0.47   -0.09  -0.02  -0.03  
1 1 1 41 9  17 o 9.6606  0.2417 9.2482  -173.6000 0.34   0.32   0.03   0.02   
1 1 1 41 9  18 o 8.1871  0.2853 9.2638  -26.6000  0.16   -0.31  0.01   -0.01  
1 1 1 41 9  19 o 5.4686  0.4401 ?       ?         -0.13  0.31   0.00   -0.01  
1 1 1 41 9  20 o 4.0203  0.5949 ?       ?         -0.38  0.35   0.01   -0.02  
1 1 1 41 9  21 o 6.3737  0.5221 ?       ?         -0.45  0.08   0.01   -0.00  
1 1 1 41 9  22 o 4.3699  1.0553 ?       ?         0.43   -0.06  0.00   -0.00  
1 1 1 41 10 0  o 19.807  0.1801 20.160  0.1000    0.07   0.00   0.00   0.00   
1 1 1 41 10 1  o 4.9996  0.2274 6.2500  -30.7000  0.15   0.61   0.18   -0.27  
1 1 1 41 10 2  o 7.9640  0.2961 10.045  -178.1000 -3.27  -3.40  0.44   -1.71  
1 1 1 41 10 3  o 11.716  0.3430 12.432  -138.2000 -2.87  -2.90  -0.17  -0.79  
1 1 1 41 10 4  o 3.6521  0.3376 2.4293  124.000   0.27   -0.23  -0.41  0.01   
1 1 1 41 10 5  o 8.4922  0.2236 10.957  109.600   0.17   1.58   0.29   0.03   
1 1 1 41 10 6  o 10.549  0.1531 11.140  23.500    0.10   0.13   -0.04  -0.00  
1 1 1 41 10 7  o 8.8147  0.3803 11.052  157.500   -2.06  1.24   -0.24  0.22   
1 1 1 41 10 8  o 5.9414  0.4107 5.6957  81.700    -0.99  1.09   -0.03  0.15   
1 1 1 41 10 9  o 3.6352  0.3713 2.9524  131.600   0.40   0.01   -0.04  0.02   
1 1 1 41 10 10 o 2.5749  0.5452 2.7725  -117.9000 -0.02  -0.24  0.02   -0.02  
1 1 1 41 10 11 o 15.114  0.1648 16.469  162.800   -1.73  -0.67  1.10   -0.74  
1 1 1 41 10 12 o 10.256  0.1999 10.321  -54.7000  -0.38  0.02   -0.01  -0.05  
1 1 1 41 10 13 o 7.0442  0.3831 5.8859  113.200   -0.70  1.34   -0.00  0.18   
1 1 1 41 10 14 o 10.558  0.2989 10.923  56.700    0.17   -0.14  -0.00  0.00   
1 1 1 41 10 15 o 7.3864  0.4195 6.9385  0.5000    0.49   0.39   0.02   -0.02  
1 1 1 41 10 16 o 4.4740  0.4323 5.7348  -65.4000  0.27   -0.28  -0.02  -0.05  
1 1 1 41 10 17 o 6.0252  0.3479 6.2348  64.300    -0.05  -0.20  0.00   0.01   
1 1 1 41 10 18 o 0.6853  0.8971 2.5612  -53.4000  -0.07  -0.32  -0.01  0.06   
1 1 1 41 10 19 o 2.0469  0.8342 ?       ?         0.17   -0.02  0.01   -0.00  
1 1 1 41 10 20 o 7.9281  0.3582 ?       ?         -0.84  -0.54  0.04   0.02   
1 1 1 41 10 21 o 4.4848  0.6323 ?       ?         -1.32  -0.07  0.05   0.06   
1 1 1 41 10 22 o 2.9828  0.9326 ?       ?         -0.04  0.37   -0.00  -0.00  
1 1 1 41 11 0  o 11.619  0.1905 12.056  180.000   -0.14  0.00   0.00   0.00   
1 1 1 41 11 1  o 21.121  0.3768 20.338  52.300    4.43   -0.97  -0.56  0.55   
1 1 1 41 11 2  o 14.528  0.2034 16.702  -74.6000  3.25   -4.40  -0.42  3.64   
1 1 1 41 11 3  o 12.130  0.1380 11.862  155.600   -0.83  0.80   0.35   0.40   
1 1 1 41 11 4  o 16.268  0.3978 17.439  114.900   -9.61  3.30   -2.70  1.15   
1 1 1 41 11 5  o 14.367  0.1266 13.750  74.400    0.19   0.76   -0.93  0.35   
1 1 1 41 11 6  o 9.4698  0.1725 8.4799  53.900    3.41   -0.31  -1.78  1.45   
1 1 1 41 11 7  o 13.897  0.1628 12.738  -127.6000 0.10   0.29   0.02   0.01   
1 1 1 41 11 8  o 9.8793  0.1717 11.077  -106.8000 -0.08  -0.23  -0.10  0.02   
1 1 1 41 11 9  o 9.7829  0.1698 7.3266  94.900    -0.49  -0.11  0.31   0.22   
1 1 1 41 11 10 f 15.544  0.1571 16.763  20.000    1.71   0.68   1.71   -0.68  
1 1 1 41 11 11 o 11.287  0.4158 9.7119  -94.3000  1.11   -2.81  0.15   0.34   
1 1 1 41 11 12 f 7.1429  0.2755 5.6901  -113.1000 0.04   -0.86  0.07   0.09   
1 1 1 41 11 13 o 14.191  0.3067 14.486  -101.9000 -1.99  -0.89  -0.31  0.05   
1 1 1 41 11 14 f 14.839  0.1762 15.471  -94.5000  -0.65  -0.67  -0.05  0.22   
1 1 1 41 11 15 o 2.4960  0.6365 3.5354  -144.0000 -0.11  0.16   -0.01  0.01   
1 1 1 41 11 16 o 3.1061  0.5419 3.9280  -15.2000  -0.22  0.26   -0.03  0.01   
1 1 1 41 11 17 o 4.2106  0.4691 3.6229  -122.9000 0.40   -0.07  0.03   0.02   
1 1 1 41 11 18 o 9.0109  0.4057 9.2360  -103.3000 -3.16  -1.23  -0.50  0.36   
1 1 1 41 11 19 o 7.7059  0.5050 ?       ?         0.72   0.99   -0.06  -0.02  
1 1 1 41 11 20 o 4.3346  0.6009 ?       ?         0.39   0.14   0.01   0.00   
1 1 1 41 11 21 o 3.7192  1.7345 ?       ?         0.16   0.29   -0.00  -0.00  
1 1 1 41 11 22 o 3.8800  1.7700 ?       ?         0.10   0.40   -0.00  -0.00  
1 1 1 41 12 0  o 3.4641  0.4217 0.7024  -1.8000   0.01   0.00   0.00   0.00   
1 1 1 41 12 1  o 18.920  0.1723 18.552  131.900   -1.90  1.47   0.34   0.87   
1 1 1 41 12 2  o 7.4474  0.2678 7.7584  -106.8000 -4.78  -0.38  -1.85  -0.79  
1 1 1 41 12 3  o 13.056  0.1416 11.495  117.100   -0.68  0.64   -0.74  0.18   
1 1 1 41 12 4  o 2.6123  0.7002 2.9581  100.700   -1.45  -0.29  -0.23  -0.05  
1 1 1 41 12 5  o 8.7054  0.1644 7.3060  -60.4000  0.10   -1.01  0.52   -0.46  
1 1 1 41 12 6  o 8.2206  0.1690 11.251  82.600    -1.69  1.30   -2.37  1.27   
1 1 1 41 12 7  o 18.785  0.1537 20.335  20.400    0.12   0.09   -0.00  0.01   
1 1 1 41 12 8  o 1.5284  0.6212 2.1026  -139.3000 0.24   0.15   -0.24  0.10   
1 1 1 41 12 9  o 15.198  0.2903 15.837  112.700   -2.51  2.06   -0.51  0.48   
1 1 1 41 12 10 o 2.9018  0.4646 1.8380  -137.4000 0.22   0.11   0.01   -0.04  
1 1 1 41 12 11 o 10.350  0.2575 11.313  -35.8000  0.30   0.77   0.07   -0.01  
1 1 1 41 12 12 o 7.1422  0.2559 6.1082  -110.9000 -0.25  -0.83  0.00   -0.16  
1 1 1 41 12 13 o 16.406  0.5732 17.162  177.600   -0.46  -6.00  0.71   0.44   
1 1 1 41 12 14 o 3.2349  0.8712 2.9569  -140.9000 -1.23  -0.11  -0.12  0.04   
1 1 1 41 12 15 o 12.205  0.1975 12.350  -121.1000 0.40   -1.23  -0.17  0.14   
1 1 1 41 12 16 f 10.070  0.2368 10.887  -149.7000 -0.40  -1.12  -0.09  0.22   
1 1 1 41 12 17 o 7.4031  0.4770 6.6584  162.700   0.05   1.51   0.05   -0.12  
1 1 1 41 12 18 f 7.1834  0.3519 ?       ?         -0.72  -0.87  -0.12  0.03   
1 1 1 41 12 19 o 7.7430  0.3543 ?       ?         -0.91  0.72   0.08   -0.01  
1 1 1 41 12 20 o 5.2461  0.5583 ?       ?         -0.07  -0.63  -0.01  -0.00  
1 1 1 41 12 21 f 3.4262  1.1349 ?       ?         0.03   0.23   -0.00  0.00   
1 1 1 41 12 22 o 2.5251  1.2044 ?       ?         0.17   0.26   0.00   0.00   
1 1 1 41 13 0  o 24.635  0.2392 24.882  180.000   -0.75  0.00   0.00   0.00   
1 1 1 41 13 1  o 21.162  0.2163 19.298  80.300    2.46   -0.32  -0.35  0.41   
1 1 1 41 13 2  o 9.0067  0.1667 9.1243  -164.5000 -0.39  -0.46  0.88   0.60   
1 1 1 41 13 3  o 3.1835  0.3838 3.5700  -63.3000  0.21   0.70   0.05   -0.05  
1 1 1 41 13 4  o 8.5817  0.3350 11.460  -23.0000  3.91   0.42   -0.77  -0.39  
1 1 1 41 13 5  o 3.7035  0.3080 1.7026  -96.6000  0.40   -0.32  -0.25  0.14   
1 1 1 41 13 6  o 7.6932  0.1846 6.8970  28.400    -0.07  0.07   0.00   0.00   
1 1 1 41 13 7  o 18.468  0.1413 17.636  -12.9000  1.48   0.13   0.06   0.75   
1 1 1 41 13 8  o 13.407  0.2035 12.815  29.700    2.80   0.03   -0.79  0.71   
1 1 1 41 13 9  o 11.603  0.1633 12.531  -41.2000  1.03   -0.11  -0.16  -0.50  
1 1 1 41 13 10 o 2.9170  0.6096 1.1352  97.600    0.33   1.13   0.17   -0.04  
1 1 1 41 13 11 o 4.8718  0.3441 3.9186  31.900    0.01   -0.84  0.11   -0.07  
1 1 1 41 13 12 o 5.7499  0.3003 5.3447  -29.2000  0.12   -0.10  0.02   -0.01  
1 1 1 41 13 13 o 4.7766  0.3730 4.8226  122.500   0.03   0.16   0.00   -0.00  
1 1 1 41 13 14 o 4.9814  0.3762 4.7493  41.700    0.58   0.05   0.02   0.11   
1 1 1 41 13 15 o 4.2282  0.4395 3.2228  -176.7000 -0.62  0.34   0.16   0.01   
1 1 1 41 13 16 o 8.3671  0.2551 7.5477  -126.6000 -0.20  0.10   0.00   -0.01  
1 1 1 41 13 17 o 11.475  0.2212 11.057  -114.4000 -1.54  -1.37  0.34   0.06   
1 1 1 41 13 18 o 7.2619  0.4972 ?       ?         -1.31  1.20   0.14   0.01   
1 1 1 41 13 19 o 3.7966  0.6032 ?       ?         -0.09  0.14   -0.00  -0.00  
1 1 1 41 13 20 o 4.5746  0.6939 ?       ?         -0.10  0.05   -0.00  -0.00  
1 1 1 41 13 21 o 2.6876  1.2775 ?       ?         -0.05  -0.06  0.00   0.00   
1 1 1 41 13 22 o 6.1281  0.6122 ?       ?         -1.60  -0.38  0.00   0.02   
1 1 1 41 14 0  o 9.9850  0.2108 10.321  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 41 14 1  o 10.653  0.1645 6.6956  -151.1000 0.30   1.17   -0.40  3.38   
1 1 1 41 14 2  o 7.2880  0.1760 3.5708  23.400    1.65   0.69   -0.25  -0.58  
1 1 1 41 14 3  o 10.656  0.1436 11.222  -23.3000  -0.13  -0.60  -0.08  -0.37  
1 1 1 41 14 4  o 17.689  0.1316 16.019  -161.8000 -0.42  0.06   -0.03  -0.07  
1 1 1 41 14 5  o 11.880  0.1494 14.619  136.400   -0.13  -0.17  -0.06  0.03   
1 1 1 41 14 6  o 9.1090  0.1703 8.8230  -98.0000  -0.90  -0.79  0.24   -0.30  
1 1 1 41 14 7  o 5.4631  0.2770 6.6767  -80.6000  -0.12  -0.53  -0.28  -0.39  
1 1 1 41 14 8  o 8.1331  0.2840 9.2733  84.300    -1.48  0.76   -0.25  0.12   
1 1 1 41 14 9  o 12.392  0.1961 12.682  169.100   -2.17  1.21   0.14   0.83   
1 1 1 41 14 10 o 5.5042  0.5761 4.7173  -51.4000  -1.76  -1.57  0.05   -0.25  
1 1 1 41 14 11 o 18.309  0.1551 18.158  46.400    -0.39  1.14   -0.15  0.14   
1 1 1 41 14 12 o 7.2057  0.2629 6.6846  -7.6000   0.25   -0.04  -0.00  -0.03  
1 1 1 41 14 13 o 5.4268  0.3368 6.1658  146.200   -0.05  -0.12  0.00   0.00   
1 1 1 41 14 14 o 6.0377  0.3167 6.0840  -64.3000  -0.44  -1.20  -0.17  -0.27  
1 1 1 41 14 15 o 5.9607  0.3383 5.9469  -33.9000  0.03   -0.02  -0.00  -0.00  
1 1 1 41 14 16 o 3.8325  0.4990 3.4886  -164.0000 -0.00  0.07   0.00   -0.00  
1 1 1 41 14 17 o 6.6796  0.3216 6.5134  -55.7000  -0.40  0.57   -0.07  -0.04  
1 1 1 41 14 18 o 0.7847  0.9293 ?       ?         -0.20  -0.01  0.00   0.01   
1 1 1 41 14 19 o 8.6305  0.3623 ?       ?         -1.40  -0.02  0.07   -0.00  
1 1 1 41 14 20 o 6.0081  0.9008 ?       ?         0.02   0.15   -0.00  -0.00  
1 1 1 41 14 21 o 2.9533  0.9103 ?       ?         0.35   0.14   0.00   0.00   
1 1 1 41 14 22 o 3.5149  0.8967 ?       ?         0.03   -0.01  0.00   -0.00  
1 1 1 41 15 0  o 16.923  0.1783 13.941  -180.0000 -0.53  0.00   0.00   0.00   
1 1 1 41 15 1  o 4.6799  0.2414 6.6066  -107.5000 0.01   0.09   -0.01  0.05   
1 1 1 41 15 2  o 4.4899  0.2431 4.3862  111.600   -0.04  0.07   -0.03  -0.01  
1 1 1 41 15 3  o 3.8501  0.5666 7.6495  130.700   -1.22  2.27   0.13   0.29   
1 1 1 41 15 4  o 8.0717  0.1684 9.3801  80.300    0.06   -0.13  -0.03  0.03   
1 1 1 41 15 5  o 4.2501  0.2882 4.6335  -3.1000   0.88   0.30   -0.10  -0.31  
1 1 1 41 15 6  o 6.3769  0.1877 6.5481  44.100    -0.58  -0.62  -0.17  -0.21  
1 1 1 41 15 7  o 6.0421  0.3936 7.9968  13.300    2.20   0.34   -0.32  -0.00  
1 1 1 41 15 8  o 3.7038  0.3495 2.8164  170.600   -0.16  0.08   0.00   0.01   
1 1 1 41 15 9  o 6.9745  0.2277 6.0941  -139.9000 -0.11  0.23   -0.02  0.04   
1 1 1 41 15 10 o 6.7147  0.4073 6.5323  99.200    -0.67  0.78   0.04   0.06   
1 1 1 41 15 11 o 5.0357  0.4341 5.7941  -160.0000 -0.82  -0.42  -0.08  -0.03  
1 1 1 41 15 12 o 10.012  0.4540 10.373  -20.0000  2.25   0.88   -0.07  -0.21  
1 1 1 41 15 13 o 3.6184  0.8602 4.5587  -34.2000  0.94   -0.39  -0.02  0.05   
1 1 1 41 15 14 o 6.3053  0.3067 6.5632  124.200   -0.40  0.64   -0.19  -0.14  
1 1 1 41 15 15 o 14.605  0.1765 14.499  100.500   -0.23  0.72   -0.07  -0.03  
1 1 1 41 15 16 o 4.2566  0.4492 3.8097  7.8000    0.25   0.47   -0.06  0.00   
1 1 1 41 15 17 f 10.779  0.3332 10.835  -170.6000 0.05   0.88   0.00   -0.04  
1 1 1 41 15 18 o 6.7138  0.3903 ?       ?         0.59   0.05   0.03   0.01   
1 1 1 41 15 19 o 6.9722  0.5293 ?       ?         -0.60  -0.23  -0.00  0.01   
1 1 1 41 15 20 o 3.0867  0.8835 ?       ?         -0.37  0.03   0.01   0.01   
1 1 1 41 15 21 o 3.8461  0.7782 ?       ?         0.34   0.00   0.00   -0.00  
1 1 1 41 15 22 o 3.4876  0.8744 ?       ?         0.29   -0.30  0.00   -0.00  
1 1 1 41 16 0  o 2.9665  0.4741 4.5738  179.900   -0.04  0.00   0.00   0.00   
1 1 1 41 16 1  o 8.6049  0.1684 7.3227  -12.6000  0.33   -0.43  0.44   -0.10  
1 1 1 41 16 2  o 5.1257  0.2134 5.9115  -130.4000 0.06   0.48   0.08   0.02   
1 1 1 41 16 3  o 7.8961  0.2650 7.1558  -7.6000   2.37   0.49   -0.51  -0.05  
1 1 1 41 16 4  o 8.1615  0.2716 10.821  67.000    3.63   -0.46  -1.03  0.84   
1 1 1 41 16 5  o 12.241  0.2164 12.504  -166.8000 -1.59  -3.37  1.68   -0.37  
1 1 1 41 16 6  o 9.1398  0.1547 8.0518  -128.0000 -1.62  -0.32  -0.73  0.32   
1 1 1 41 16 7  o 5.1930  0.2833 5.1198  110.400   -0.03  0.31   0.00   -0.13  
1 1 1 41 16 8  o 8.8064  0.3570 8.1348  101.100   0.67   -1.02  0.00   0.09   
1 1 1 41 16 9  o 9.4536  0.2301 9.1986  -162.7000 -0.49  -1.93  0.48   0.04   
1 1 1 41 16 10 o 15.759  0.1585 12.813  -164.2000 -0.96  -1.07  -0.22  1.06   
1 1 1 41 16 11 o 3.9263  0.3982 3.2486  102.800   -0.10  -0.30  -0.03  -0.04  
1 1 1 41 16 12 o 8.8223  0.2212 8.1944  175.600   -0.74  -0.65  -0.29  0.18   
1 1 1 41 16 13 o 8.6020  0.2403 7.6012  -160.2000 -0.03  -0.42  -0.03  -0.05  
1 1 1 41 16 14 o 6.7762  0.3297 6.8143  60.400    1.06   0.83   -0.30  0.26   
1 1 1 41 16 15 o 4.4223  0.4304 4.7572  -29.3000  0.35   0.25   0.04   0.04   
1 1 1 41 16 16 o 5.3861  0.4249 5.6521  -44.0000  0.30   -0.45  0.02   -0.00  
1 1 1 41 16 17 f 8.6274  0.2886 8.4488  -84.8000  0.24   -1.08  -0.04  -0.12  
1 1 1 41 16 18 o 5.5280  0.4101 ?       ?         -0.20  0.81   -0.06  0.02   
1 1 1 41 16 19 o 4.5244  0.6023 ?       ?         -0.14  0.92   -0.03  0.02   
1 1 1 41 16 20 o 3.0566  1.0155 ?       ?         -0.09  -0.42  -0.01  -0.01  
1 1 1 41 16 21 o 3.7828  0.8172 ?       ?         0.12   0.76   -0.01  0.01   
1 1 1 41 17 0  o 6.4498  0.2534 8.0739  0.0000    0.03   0.00   0.00   0.00   
1 1 1 41 17 1  o 4.0027  0.3585 3.5042  132.300   -1.18  1.87   0.27   0.36   
1 1 1 41 17 2  o 14.082  0.6280 15.734  32.400    -2.98  18.38  4.17   2.42   
1 1 1 41 17 3  o 3.5083  0.2918 1.0233  15.200    -0.25  -0.24  -0.31  0.01   
1 1 1 41 17 4  o 11.324  0.1475 10.752  -51.7000  0.50   -0.42  -0.17  0.03   
1 1 1 41 17 5  o 2.5224  0.4212 1.6630  89.000    -0.39  0.34   -0.21  0.12   
1 1 1 41 17 6  o 10.447  0.1548 8.8050  -136.9000 -0.75  0.04   0.79   -0.05  
1 1 1 41 17 7  o 18.675  0.3236 17.287  168.500   -5.68  -1.84  -0.45  -1.72  
1 1 1 41 17 8  o 4.0436  0.3325 4.7244  158.800   -0.06  0.01   0.00   0.00   
1 1 1 41 17 9  o 4.1720  0.3416 4.2853  121.700   0.04   0.18   -0.04  0.06   
1 1 1 41 17 10 o 4.8490  0.3257 2.8440  16.200    -0.71  -0.10  0.51   0.37   
1 1 1 41 17 11 o 5.4090  0.3074 6.0151  -132.8000 -0.08  0.23   -0.02  0.02   
1 1 1 41 17 12 o 4.9182  0.3473 5.8777  53.800    -0.08  0.41   -0.01  0.05   
1 1 1 41 17 13 o 10.073  0.2100 10.695  158.900   -0.32  -0.35  -0.03  0.05   
1 1 1 41 17 14 o 12.988  0.1923 11.706  166.700   -0.05  -0.03  -0.00  0.00   
1 1 1 41 17 15 o 3.6151  0.9198 4.2777  60.900    -0.28  0.07   -0.01  -0.00  
1 1 1 41 17 16 o 6.9391  0.3524 6.7881  -117.2000 -0.03  -0.55  -0.00  -0.03  
1 1 1 41 17 17 o 6.4133  0.3908 8.1207  -61.1000  -0.06  -0.46  -0.01  -0.02  
1 1 1 41 17 18 o 4.0090  0.8350 ?       ?         -0.18  -0.76  -0.01  -0.03  
1 1 1 41 17 19 o 3.1513  0.7770 ?       ?         0.04   -0.29  -0.01  -0.00  
1 1 1 41 17 20 o 6.6048  0.5354 ?       ?         -0.01  -0.18  -0.00  -0.00  
1 1 1 41 17 21 o 5.4368  0.6242 ?       ?         0.03   -1.10  -0.01  -0.01  
1 1 1 41 18 0  o 6.5955  0.2341 8.2090  -180.0000 0.00   0.00   0.00   0.00   
1 1 1 41 18 1  o 4.7513  0.4896 2.0427  -161.7000 -4.18  0.28   -0.66  0.21   
1 1 1 41 18 2  o 12.493  0.2851 10.970  -177.3000 -3.12  -0.32  -0.62  0.17   
1 1 1 41 18 3  o 8.0515  0.1501 7.7774  96.300    0.45   0.14   0.39   -0.14  
1 1 1 41 18 4  o 11.399  0.1330 10.774  -74.0000  -0.17  -1.25  0.15   -0.54  
1 1 1 41 18 5  o 3.6162  0.3191 4.1469  -144.7000 -1.20  -0.78  -0.01  -0.31  
1 1 1 41 18 6  o 9.3720  0.1760 7.9800  103.200   0.40   -0.89  -0.01  0.19   
1 1 1 41 18 7  o 4.9289  0.2624 4.3629  -14.6000  0.09   -0.49  0.04   0.10   
1 1 1 41 18 8  o 3.2360  0.3963 0.8880  -40.3000  -0.19  -0.23  0.10   -0.00  
1 1 1 41 18 9  f 16.523  0.1554 13.836  -108.5000 -0.43  0.52   -0.07  0.03   
1 1 1 41 18 10 o 3.5427  0.4115 4.1847  42.200    0.26   -0.44  0.06   0.01   
1 1 1 41 18 11 o 11.134  0.1836 11.571  116.900   -0.55  1.25   0.12   -0.70  
1 1 1 41 18 12 o 1.5931  0.6806 0.6106  106.800   -0.03  0.01   -0.00  -0.00  
1 1 1 41 18 13 o 6.4284  0.2968 5.7714  -95.0000  0.87   0.17   -0.06  0.15   
1 1 1 41 18 14 o 9.7737  0.2181 9.9992  112.500   -1.48  1.72   -0.80  -0.03  
1 1 1 41 18 15 o 2.9568  0.5669 2.0554  3.1000    -0.20  -0.02  0.01   -0.01  
1 1 1 41 18 16 o 3.6576  0.5422 3.3627  -101.6000 0.12   -0.04  0.00   -0.00  
1 1 1 41 18 17 o 6.7372  0.3852 ?       ?         -0.08  -0.46  -0.01  -0.01  
1 1 1 41 18 18 o 4.1887  0.5821 ?       ?         -0.35  0.11   -0.00  -0.01  
1 1 1 41 18 19 o 4.1831  0.6942 ?       ?         0.50   -0.67  -0.01  -0.02  
1 1 1 41 18 20 o 3.2013  0.8103 ?       ?         -0.08  -0.11  -0.00  0.00   
1 1 1 41 18 21 o 3.6071  0.8856 ?       ?         -1.34  -0.32  0.03   0.02   
1 1 1 41 19 0  o 0.0000  2.0976 1.3192  -0.0000   0.01   0.00   0.00   0.00   
1 1 1 41 19 1  o 9.8946  0.1361 10.238  -86.7000  0.79   0.06   -0.01  -0.41  
1 1 1 41 19 2  o 6.2725  0.1743 8.5366  25.100    0.22   0.30   0.05   -0.03  
1 1 1 41 19 3  o 4.4597  0.2196 2.4893  83.500    -0.02  0.04   0.00   -0.00  
1 1 1 41 19 4  o 7.2959  0.1690 7.6259  -103.9000 -0.59  -0.51  0.09   -0.16  
1 1 1 41 19 5  o 11.845  0.3343 12.175  37.500    4.90   2.19   -1.20  -0.59  
1 1 1 41 19 6  o 3.7268  0.2838 2.2261  178.900   0.02   0.86   0.16   0.08   
1 1 1 41 19 7  o 3.8968  0.3053 3.4837  72.000    0.19   -0.26  -0.12  0.07   
1 1 1 41 19 8  o 0.7159  0.6984 3.2635  154.100   0.09   0.06   0.02   -0.02  
1 1 1 41 19 9  o 7.6828  0.3031 5.1689  -41.5000  0.09   -0.06  -0.00  0.00   
1 1 1 41 19 10 o 18.546  0.3411 18.277  161.100   -4.32  -0.00  -0.45  -0.64  
1 1 1 41 19 11 o 2.1930  0.5926 1.4836  136.800   0.16   0.27   -0.04  -0.04  
1 1 1 41 19 12 o 2.0651  0.9743 2.0459  114.000   -0.41  0.34   0.02   0.05   
1 1 1 41 19 13 o 3.9784  0.5547 4.3420  31.900    0.06   -0.27  0.00   0.01   
1 1 1 41 19 14 o 8.7576  0.2440 8.4212  -169.0000 -0.74  -0.07  0.08   0.08   
1 1 1 41 19 15 o 5.5628  0.3998 5.3689  78.600    1.42   0.46   -0.14  0.12   
1 1 1 41 19 16 o 4.9442  0.5067 4.7771  68.700    0.16   0.32   -0.00  -0.01  
1 1 1 41 19 17 o 7.0970  0.6036 ?       ?         -0.70  -1.65  -0.07  -0.08  
1 1 1 41 19 18 o 2.0096  0.8881 ?       ?         0.21   -0.24  -0.01  -0.01  
1 1 1 41 19 19 o 1.2298  1.0727 ?       ?         0.09   0.01   0.00   -0.00  
1 1 1 41 19 20 o 2.8175  0.9056 ?       ?         0.10   0.13   -0.00  0.00   
1 1 1 41 19 21 o 2.0133  1.0176 ?       ?         -0.07  -0.33  -0.00  0.00   
1 1 1 41 20 0  o 16.245  0.2216 12.856  180.000   -0.28  0.00   0.00   0.00   
1 1 1 41 20 1  o 4.3833  0.6435 2.6053  -136.0000 0.68   -4.29  0.71   0.45   
1 1 1 41 20 2  o 6.6859  0.6145 7.3966  -19.7000  -0.67  -1.44  0.05   -0.04  
1 1 1 41 20 3  o 5.7148  0.4568 4.4459  -26.6000  0.04   -2.29  0.21   -0.04  
1 1 1 41 20 4  f 5.2270  0.1903 5.5756  -39.9000  0.57   -0.97  -0.21  0.77   
1 1 1 41 20 5  o 8.8193  0.1492 8.9129  61.200    0.62   1.46   0.77   0.04   
1 1 1 41 20 6  o 5.7807  0.2042 6.8657  45.100    -0.36  -0.04  -0.02  -0.13  
1 1 1 41 20 7  o 7.3032  0.1834 7.9958  29.500    -0.22  1.43   0.61   -0.32  
1 1 1 41 20 8  o 5.7282  0.2511 7.3189  -69.1000  0.61   -0.37  0.15   0.21   
1 1 1 41 20 9  o 5.7343  0.2790 7.4715  26.200    0.96   -0.24  -0.03  0.23   
1 1 1 41 20 10 o 7.8180  0.2205 8.7018  -62.1000  1.11   -0.35  0.89   -0.04  
1 1 1 41 20 11 o 6.7597  0.2477 5.3889  69.200    0.24   0.56   -0.03  0.22   
1 1 1 41 20 12 o 8.3256  0.2300 8.1326  -122.2000 0.46   0.33   -0.04  0.08   
1 1 1 41 20 13 o 2.9251  0.5258 2.6423  79.600    0.02   0.16   -0.01  0.00   
1 1 1 41 20 14 o 9.6535  0.4427 9.9517  95.200    -0.90  1.92   0.19   -0.02  
1 1 1 41 20 15 o 5.8431  0.3465 5.9190  167.400   -0.02  -0.27  -0.01  0.00   
1 1 1 41 20 16 o 3.8411  0.9948 4.7103  98.900    -0.34  0.08   -0.01  -0.00  
1 1 1 41 20 17 o 6.3761  0.7034 ?       ?         -0.88  1.07   0.06   0.00   
1 1 1 41 20 18 o 1.4630  1.0364 ?       ?         -0.21  0.18   -0.01  -0.00  
1 1 1 41 20 19 o 5.9965  0.5468 ?       ?         0.08   0.11   -0.00  0.00   
1 1 1 41 20 20 o 1.6168  1.1498 ?       ?         0.18   0.14   0.00   0.00   
1 1 1 41 20 21 o 2.9705  1.0580 ?       ?         -0.54  -0.12  0.01   -0.00  
1 1 1 41 21 0  o 8.0312  0.2941 11.051  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 41 21 1  o 12.814  0.1613 15.217  53.000    2.42   -0.57  -0.02  1.46   
1 1 1 41 21 2  o 13.789  0.1873 12.350  -137.0000 -1.80  -0.15  -0.22  -0.43  
1 1 1 41 21 3  o 1.4574  0.6301 1.6617  176.100   -0.10  0.02   0.04   -0.04  
1 1 1 41 21 4  o 11.222  0.1434 12.799  -129.7000 1.02   -0.17  -0.16  -0.59  
1 1 1 41 21 5  o 6.6561  0.5051 6.4426  175.800   -0.24  7.15   1.39   -0.20  
1 1 1 41 21 6  o 5.6246  0.2161 6.2308  -168.5000 -0.37  1.31   0.42   -0.01  
1 1 1 41 21 7  o 11.938  0.1421 13.216  -34.1000  0.49   -0.37  -0.11  0.01   
1 1 1 41 21 8  o 4.7766  0.6951 5.7759  1.4000    0.64   -0.64  -0.01  0.02   
1 1 1 41 21 9  o 6.7170  0.2466 7.2301  40.900    0.35   -0.23  0.10   -0.08  
1 1 1 41 21 10 o 15.152  0.1934 15.668  32.000    3.37   3.47   2.33   -0.13  
1 1 1 41 21 11 f 2.2376  0.7224 0.6123  -133.1000 -0.46  -0.30  -0.07  -0.02  
1 1 1 41 21 12 o 4.7418  0.3932 3.7996  19.300    -0.15  -0.28  -0.00  -0.01  
1 1 1 41 21 13 o 7.4501  0.2550 7.7850  -80.1000  1.28   -0.54  -0.16  -0.41  
1 1 1 41 21 14 o 4.1202  0.4271 3.8915  -82.0000  0.37   -0.01  0.02   -0.03  
1 1 1 41 21 15 o 7.8731  0.3382 8.5842  116.700   -0.09  0.59   0.01   -0.02  
1 1 1 41 21 16 o 5.8940  0.3672 5.9517  -72.0000  0.04   -0.21  -0.01  -0.00  
1 1 1 41 21 17 o 6.0529  0.5992 ?       ?         0.64   0.65   -0.03  -0.00  
1 1 1 41 21 18 o 6.3393  0.5173 ?       ?         -1.43  -0.38  0.04   -0.03  
1 1 1 41 21 19 o 4.5960  0.6991 ?       ?         0.24   0.50   -0.01  -0.00  
1 1 1 41 21 20 o 5.7523  0.7591 ?       ?         0.95   0.28   0.01   -0.01  
1 1 1 41 22 0  o 3.5496  0.4907 6.3374  0.0000    0.11   0.00   0.00   0.00   
1 1 1 41 22 1  o 10.576  0.2248 11.833  -7.0000   4.22   -0.34  -1.35  1.51   
1 1 1 41 22 2  o 7.7461  0.4097 6.5631  -152.4000 -2.43  3.09   -0.10  0.75   
1 1 1 41 22 3  o 6.1890  0.4463 6.0545  -175.6000 0.25   -0.61  0.01   0.02   
1 1 1 41 22 4  o 6.5805  0.1795 7.3714  131.900   -0.36  0.04   0.30   0.01   
1 1 1 41 22 5  o 7.1270  0.1907 10.447  121.300   -0.04  -0.63  -0.05  -0.39  
1 1 1 41 22 6  f 11.708  0.1339 12.953  170.500   0.39   1.73   -0.13  -1.00  
1 1 1 41 22 7  o 14.727  0.2936 13.015  29.800    3.28   2.12   0.19   -0.84  
1 1 1 41 22 8  o 11.807  0.2929 11.612  -166.2000 -0.00  -0.43  0.01   0.01   
1 1 1 41 22 9  o 14.172  0.3723 13.886  -76.7000  3.27   -1.49  -0.47  0.08   
1 1 1 41 22 10 o 7.4920  0.3340 7.9625  47.900    -1.75  0.30   -0.22  -0.10  
1 1 1 41 22 11 o 10.797  0.1826 9.4126  96.700    0.76   0.86   -0.32  0.22   
1 1 1 41 22 12 o 8.5658  0.2619 8.7049  -7.8000   0.46   0.13   0.00   -0.02  
1 1 1 41 22 13 o 5.9361  0.3339 6.6985  -98.1000  -0.30  0.72   -0.03  -0.14  
1 1 1 41 22 14 o 5.3628  0.3632 5.9795  -17.7000  1.11   -0.25  -0.06  -0.16  
1 1 1 41 22 15 o 7.4543  0.3175 7.6773  -100.8000 -1.31  -0.97  -0.17  0.14   
1 1 1 41 22 16 f 5.1626  0.4374 ?       ?         -0.31  -0.29  0.01   0.01   
1 1 1 41 22 17 o 0.8187  0.9702 ?       ?         -0.33  -0.12  0.02   -0.00  
1 1 1 41 22 18 o 7.3031  1.0065 ?       ?         2.56   -2.35  -0.15  -0.00  
1 1 1 41 22 19 o 5.3722  0.6156 ?       ?         -0.79  -0.21  0.01   0.01   
1 1 1 41 22 20 o 2.3006  1.1181 ?       ?         0.31   0.03   0.00   -0.00  
1 1 1 41 23 0  o 1.0488  0.8079 1.1958  -180.0000 -0.00  0.00   0.00   0.00   
1 1 1 41 23 1  o 13.013  0.2246 12.049  93.700    -3.70  -0.43  -0.75  -1.21  
1 1 1 41 23 2  o 11.208  0.5638 11.077  -175.8000 -1.77  -2.56  0.11   -0.15  
1 1 1 41 23 3  o 6.1723  0.2370 5.4514  65.000    -1.05  0.01   -0.24  -0.25  
1 1 1 41 23 4  o 3.0505  0.4746 4.4080  147.100   -0.53  0.08   -0.04  -0.01  
1 1 1 41 23 5  o 6.4138  0.3486 10.759  -109.6000 -4.13  -3.91  -0.77  -1.87  
1 1 1 41 23 6  o 8.4971  0.1813 8.4362  152.600   0.21   -0.87  0.11   -0.02  
1 1 1 41 23 7  o 4.7901  0.2452 4.2022  38.400    0.25   -0.04  0.05   -0.07  
1 1 1 41 23 8  o 13.922  0.1526 13.770  145.200   -0.76  -0.15  0.17   -0.04  
1 1 1 41 23 9  o 4.9465  0.2795 3.3567  -126.6000 -0.08  -0.19  -0.03  0.01   
1 1 1 41 23 10 o 4.7044  0.3322 5.8453  -61.1000  -0.29  -1.07  -0.07  -0.27  
1 1 1 41 23 11 o 11.646  0.1817 11.959  -70.8000  -0.00  -0.83  -0.12  -0.04  
1 1 1 41 23 12 o 2.5813  0.5551 2.1587  26.600    -0.00  -0.20  0.00   -0.01  
1 1 1 41 23 13 o 4.5016  0.3644 4.6078  145.000   -0.41  0.20   0.06   -0.05  
1 1 1 41 23 14 o 1.2196  0.8473 1.9387  -163.5000 -0.39  0.12   -0.02  -0.07  
1 1 1 41 23 15 o 4.9541  0.4299 4.8564  -118.4000 -0.55  -0.69  0.04   0.08   
1 1 1 41 23 16 o 3.6674  0.8250 ?       ?         0.27   0.23   0.01   -0.00  
1 1 1 41 23 17 o 2.9001  0.7405 ?       ?         -0.49  0.28   0.02   -0.01  
1 1 1 41 23 18 o 6.7249  0.4661 ?       ?         -0.30  -0.10  0.00   -0.00  
1 1 1 41 23 19 o 5.2822  0.6345 ?       ?         -1.36  0.49   0.03   -0.01  
1 1 1 41 23 20 o 0.9076  1.1552 ?       ?         -0.14  -0.33  -0.00  0.00   
1 1 1 41 24 0  o 10.968  0.1970 12.698  180.000   -0.25  0.00   0.00   0.00   
1 1 1 41 24 1  o 4.7234  0.5036 4.5082  36.100    -0.39  2.87   0.33   0.19   
1 1 1 41 24 2  o 1.6730  0.5500 2.7588  8.2000    -0.25  0.14   -0.07  0.01   
1 1 1 41 24 3  o 7.9192  0.2547 7.5378  74.100    -2.38  0.35   -0.56  -0.12  
1 1 1 41 24 4  o 20.512  0.1978 21.002  29.900    2.61   -0.78  0.25   0.64   
1 1 1 41 24 5  o 12.099  0.1693 12.815  41.500    0.12   0.13   -0.01  -0.00  
1 1 1 41 24 6  o 5.0297  0.3774 4.8004  131.700   -0.34  0.22   -0.01  0.01   
1 1 1 41 24 7  o 9.8435  0.2715 8.9392  12.800    0.98   -2.28  0.51   0.04   
1 1 1 41 24 8  o 9.4258  0.2562 8.7793  17.600    1.18   0.54   -0.14  -0.02  
1 1 1 41 24 9  o 3.2564  0.4385 1.0722  152.100   -0.61  0.07   -0.04  -0.02  
1 1 1 41 24 10 o 3.2971  0.4100 1.9711  -177.7000 -0.09  -0.76  0.08   0.11   
1 1 1 41 24 11 o 3.7323  0.4867 3.9006  62.800    0.71   -0.08  -0.04  -0.03  
1 1 1 41 24 12 o 13.036  0.2564 12.556  -55.3000  -0.21  -1.46  0.04   0.13   
1 1 1 41 24 13 o 7.2717  0.2712 7.2720  154.100   -1.01  0.01   0.17   0.09   
1 1 1 41 24 14 o 0.7634  0.8532 1.0692  -142.0000 -0.05  0.10   -0.01  -0.00  
1 1 1 41 24 15 o 6.0867  0.3505 7.6037  -131.8000 -1.05  -0.10  0.01   0.09   
1 1 1 41 24 16 o 4.9056  0.4899 ?       ?         0.20   0.24   -0.00  0.00   
1 1 1 41 24 17 o 0.3989  0.8666 ?       ?         -0.02  0.02   -0.00  -0.00  
1 1 1 41 24 18 o 4.0507  0.6569 ?       ?         0.23   -0.01  0.00   -0.00  
1 1 1 41 24 19 o 4.0985  1.4931 ?       ?         -0.88  0.41   -0.01  -0.01  
1 1 1 41 24 20 f 3.8691  0.8518 ?       ?         0.49   -0.11  0.00   -0.00  
1 1 1 41 25 0  o 3.7947  0.7560 1.2586  180.000   -0.19  0.00   0.00   0.00   
1 1 1 41 25 1  o 8.1090  0.2641 6.8297  -80.6000  1.07   -1.38  -0.20  0.34   
1 1 1 41 25 2  o 1.7698  0.5866 1.2459  -122.0000 -0.07  -0.48  0.07   -0.07  
1 1 1 41 25 3  o 3.7558  0.3865 1.8127  -162.7000 -0.57  -1.25  0.17   -0.08  
1 1 1 41 25 4  o 9.1469  0.6617 8.8201  30.300    4.76   2.67   -0.13  -0.41  
1 1 1 41 25 5  o 8.7432  0.1957 7.5543  -28.1000  1.31   -0.05  0.75   0.55   
1 1 1 41 25 6  o 3.0638  0.3242 1.2754  96.000    -0.01  -0.10  0.00   0.01   
1 1 1 41 25 7  o 14.172  0.1709 15.378  102.400   3.82   0.75   -1.05  1.29   
1 1 1 41 25 8  o 2.5379  0.5970 1.2765  130.600   0.23   0.14   -0.00  -0.01  
1 1 1 41 25 9  o 4.4003  0.3065 2.7625  -83.3000  0.40   0.45   0.12   -0.00  
1 1 1 41 25 10 o 7.0388  0.2238 6.3417  -110.2000 -0.97  0.06   0.37   -0.04  
1 1 1 41 25 11 o 4.9551  0.3263 4.7797  161.200   -0.13  0.05   0.00   -0.01  
1 1 1 41 25 12 o 4.2917  0.3752 5.5694  24.400    0.64   0.17   -0.02  0.10   
1 1 1 41 25 13 o 7.1010  0.2750 8.2937  -173.0000 -1.28  -0.70  0.17   -0.09  
1 1 1 41 25 14 o 8.4174  0.2765 7.9940  11.200    0.85   1.33   0.11   0.18   
1 1 1 41 25 15 o 6.5980  0.3514 ?       ?         -0.71  -1.23  -0.02  0.14   
1 1 1 41 25 16 o 5.7518  0.4242 ?       ?         -0.22  0.36   -0.01  -0.00  
1 1 1 41 25 17 o 2.5267  0.7999 ?       ?         -0.44  0.26   -0.01  -0.02  
1 1 1 41 25 18 o 5.6068  1.0370 ?       ?         -0.01  0.71   -0.00  0.01   
1 1 1 41 25 19 f 0.0000  2.2493 ?       ?         -0.37  -0.07  0.01   0.00   
1 1 1 41 26 0  o 4.1593  0.7695 2.4686  -0.0000   0.06   0.00   0.00   0.00   
1 1 1 41 26 1  o 5.1843  0.8102 3.8231  143.600   0.07   0.53   0.01   0.00   
1 1 1 41 26 2  o 2.7124  0.7270 3.5348  131.300   -0.41  -0.35  -0.12  0.00   
1 1 1 41 26 3  o 3.3254  0.5851 4.4986  -59.2000  -0.31  0.17   -0.02  0.01   
1 1 1 41 26 4  o 3.6588  0.2957 4.6379  99.800    0.20   0.00   -0.01  -0.02  
1 1 1 41 26 5  o 2.7985  1.2912 1.7633  -114.8000 -0.79  -1.42  0.10   -0.10  
1 1 1 41 26 6  o 5.4089  0.4788 6.5133  -4.4000   3.42   0.95   -0.33  -0.59  
1 1 1 41 26 7  o 4.9495  0.2535 2.9681  -174.7000 0.33   0.07   0.06   -0.04  
1 1 1 41 26 8  o 16.500  0.1365 17.216  62.800    0.35   1.80   -0.47  -0.17  
1 1 1 41 26 9  o 4.0923  0.3314 3.7464  147.800   -0.12  0.65   0.06   -0.03  
1 1 1 41 26 10 o 2.5134  1.1447 3.0315  -42.7000  0.35   0.11   -0.01  -0.01  
1 1 1 41 26 11 o 5.1306  0.5224 4.4577  -84.5000  0.28   -0.91  0.01   0.04   
1 1 1 41 26 12 o 3.9772  0.4064 4.1126  171.400   0.35   -0.12  -0.01  -0.02  
1 1 1 41 26 13 o 9.8121  0.2359 8.5908  -43.0000  0.37   -1.20  0.02   -0.12  
1 1 1 41 26 14 o 2.1082  0.9916 0.5883  124.000   -0.43  0.44   -0.07  0.01   
1 1 1 41 26 15 o 3.2676  0.6022 ?       ?         0.35   0.29   0.02   0.01   
1 1 1 41 26 16 o 3.2809  0.7780 ?       ?         0.32   0.15   0.01   -0.00  
1 1 1 41 26 17 o 4.3653  0.6596 ?       ?         0.73   0.93   0.02   0.02   
1 1 1 41 26 18 o 5.1913  0.6250 ?       ?         0.17   0.64   -0.00  0.00   
1 1 1 41 26 19 o 0.5910  1.0625 ?       ?         0.52   -0.26  0.01   -0.01  
1 1 1 41 27 0  o 3.9243  0.7655 1.0699  0.0000    -0.10  0.00   0.00   0.00   
1 1 1 41 27 1  o 7.9356  0.2975 6.3445  -150.4000 -0.10  -0.27  0.00   0.03   
1 1 1 41 27 2  o 8.3327  0.4015 6.2685  -8.2000   2.32   -0.03  -0.23  -0.38  
1 1 1 41 27 3  o 5.6919  0.9967 6.1058  -164.0000 -1.27  -0.25  -0.05  0.01   
1 1 1 41 27 4  f 5.0822  0.3974 5.5896  -169.0000 0.35   0.46   0.03   -0.01  
1 1 1 41 27 5  o 1.2408  0.6370 1.1953  50.900    -0.28  0.21   -0.03  0.02   
1 1 1 41 27 6  o 9.4857  0.4320 10.217  98.400    -3.68  0.86   -0.51  -0.05  
1 1 1 41 27 7  o 5.7485  0.2061 5.7943  12.400    0.02   -0.04  -0.00  0.00   
1 1 1 41 27 8  o 6.3961  0.4810 7.6045  8.5000    2.10   -2.30  0.17   0.27   
1 1 1 41 27 9  o 3.5168  0.3507 3.7134  -167.5000 -0.12  -0.00  0.00   -0.01  
1 1 1 41 27 10 o 13.548  0.1570 13.950  -159.5000 -2.99  0.78   1.26   -0.66  
1 1 1 41 27 11 o 6.2953  0.2668 6.8769  -40.9000  -0.71  -0.04  0.05   0.09   
1 1 1 41 27 12 o 6.4973  0.2962 5.2102  101.000   0.22   -0.05  0.00   -0.01  
1 1 1 41 27 13 o 1.7562  0.7454 2.4355  56.400    0.06   0.13   -0.00  -0.00  
1 1 1 41 27 14 o 3.6532  0.5147 3.6937  -90.5000  -0.34  -0.12  0.01   0.01   
1 1 1 41 27 15 o 2.4868  0.7212 ?       ?         0.03   0.57   -0.04  0.01   
1 1 1 41 27 16 o 3.5794  1.4960 ?       ?         -0.12  0.21   -0.00  0.00   
1 1 1 41 27 17 o 2.3282  1.0763 ?       ?         0.56   -0.54  -0.02  -0.03  
1 1 1 41 27 18 f 4.1950  1.4671 ?       ?         1.37   -0.49  -0.03  -0.04  
1 1 1 41 27 19 o 4.7290  1.4608 ?       ?         0.81   0.55   0.01   -0.00  
1 1 1 41 28 0  o 2.6077  1.0061 0.7741  0.0000    -0.10  0.00   0.00   0.00   
1 1 1 41 28 1  o 4.3109  0.5287 4.2251  -30.4000  -0.98  0.39   0.06   0.15   
1 1 1 41 28 2  o 5.6697  0.8326 5.9772  -82.7000  1.18   -1.56  -0.07  0.15   
1 1 1 41 28 3  o 4.7973  0.5228 5.1522  -2.9000   0.43   0.08   -0.01  0.01   
1 1 1 41 28 4  o 5.0022  0.8130 6.0894  90.500    0.50   0.59   0.02   -0.02  
1 1 1 41 28 5  o 7.3380  0.2481 7.8839  -177.7000 0.12   -0.36  -0.01  0.02   
1 1 1 41 28 6  o 5.3683  0.2493 5.3735  -36.4000  0.30   -0.00  0.05   -0.02  
1 1 1 41 28 7  o 11.837  0.1381 11.765  -134.1000 -1.54  -3.56  1.67   1.07   
1 1 1 41 28 8  o 4.5574  0.2593 4.4882  43.200    0.45   0.14   -0.01  0.09   
1 1 1 41 28 9  o 2.3483  1.0697 2.3928  -58.4000  0.46   -0.56  0.03   0.04   
1 1 1 41 28 10 f 2.8729  0.6828 3.5058  -42.5000  -0.10  -1.03  0.06   -0.08  
1 1 1 41 28 11 o 6.2844  0.2649 6.3196  94.300    0.60   0.79   -0.14  -0.01  
1 1 1 41 28 12 o 8.6218  0.2279 8.4513  155.700   -1.23  0.41   0.16   0.06   
1 1 1 41 28 13 o 0.0000  1.6955 ?       ?         0.18   0.06   0.02   0.01   
1 1 1 41 28 14 o 3.9013  0.5737 ?       ?         -0.21  0.00   0.00   -0.00  
1 1 1 41 28 15 o 8.3055  0.3762 ?       ?         0.89   -0.40  0.01   -0.02  
1 1 1 41 28 16 o 2.5609  0.8870 ?       ?         0.06   -0.08  -0.00  -0.00  
1 1 1 41 28 17 o 5.7367  0.5851 ?       ?         -0.23  0.14   0.00   -0.00  
1 1 1 41 28 18 o 3.6335  1.1212 ?       ?         -0.35  0.48   -0.00  -0.00  
1 1 1 41 28 19 o 4.2512  2.1054 ?       ?         0.25   -0.35  -0.00  -0.00  
1 1 1 41 29 0  o 0.8367  1.2075 3.8659  180.000   -0.03  0.00   0.00   0.00   
1 1 1 41 29 1  o 2.6826  0.7683 1.0545  30.300    0.29   -0.10  0.01   0.02   
1 1 1 41 29 2  o 6.2113  0.5768 5.1991  45.400    1.06   0.62   -0.09  -0.01  
1 1 1 41 29 3  o 8.9304  0.3360 10.994  -44.8000  0.66   -0.63  -0.06  0.02   
1 1 1 41 29 4  o 4.6233  0.4782 4.9771  -92.5000  -0.48  -0.47  -0.06  0.00   
1 1 1 41 29 5  o 9.2108  0.5508 6.8210  -96.0000  -3.24  -1.99  0.09   -0.41  
1 1 1 41 29 6  o 6.5121  0.3020 7.4451  67.100    -0.23  0.78   -0.14  -0.08  
1 1 1 41 29 7  o 5.7335  0.4265 4.5840  -16.8000  -0.37  0.18   0.00   0.01   
1 1 1 41 29 8  o 3.5014  0.4620 1.6366  44.100    1.61   0.61   -0.25  -0.00  
1 1 1 41 29 9  o 5.5852  0.2050 6.4331  -11.4000  -0.23  0.56   0.07   -0.10  
1 1 1 41 29 10 o 4.0364  0.3438 4.2397  104.900   -0.12  -0.30  0.01   0.03   
1 1 1 41 29 11 o 3.1785  0.4611 1.4240  112.900   0.08   0.22   0.00   0.01   
1 1 1 41 29 12 o 5.9300  0.4777 6.5334  -159.7000 0.85   -0.97  -0.06  0.04   
1 1 1 41 29 13 o 6.8916  0.3160 8.0351  -67.0000  1.15   -1.24  0.18   -0.12  
1 1 1 41 29 14 f 6.8037  0.3882 ?       ?         0.08   -0.19  -0.00  -0.00  
1 1 1 41 29 15 f 0.0000  2.3172 ?       ?         -0.03  0.48   -0.02  -0.00  
1 1 1 41 29 16 o 0.5301  0.9691 ?       ?         -0.11  -0.18  -0.00  0.00   
1 1 1 41 29 17 o 3.0249  1.5472 ?       ?         -0.01  -0.33  -0.00  0.00   
1 1 1 41 29 18 f 3.3810  0.8293 ?       ?         0.32   -0.52  -0.00  -0.00  
1 1 1 41 30 0  o 2.5884  0.8603 1.2848  0.0000    -0.03  0.00   0.00   0.00   
1 1 1 41 30 1  o 9.6371  0.6032 10.829  -73.1000  -0.31  -0.66  0.02   0.00   
1 1 1 41 30 2  o 3.2179  1.4584 2.7460  -35.7000  -0.13  -0.19  -0.00  -0.00  
1 1 1 41 30 3  f 9.0617  0.3341 7.4325  -24.9000  1.37   -1.07  0.32   -0.26  
1 1 1 41 30 4  o 2.2178  0.7713 1.7576  3.9000    0.16   -0.04  0.01   0.01   
1 1 1 41 30 5  o 3.4635  1.5684 2.0196  56.300    -0.04  0.48   0.01   0.02   
1 1 1 41 30 6  o 1.5546  0.8435 1.9923  30.300    0.15   0.75   0.04   -0.05  
1 1 1 41 30 7  o 3.3162  0.3291 2.6132  120.700   -0.27  -0.06  0.03   -0.02  
1 1 1 41 30 8  o 5.5117  0.2103 6.7330  -117.2000 -0.64  -0.58  -0.23  0.10   
1 1 1 41 30 9  o 1.4800  0.7003 1.7122  -78.9000  -0.22  0.03   -0.00  0.02   
1 1 1 41 30 10 o 6.1646  0.2378 5.6824  38.800    0.96   0.23   0.09   0.20   
1 1 1 41 30 11 o 3.3278  0.4721 2.4614  -84.3000  0.12   0.65   -0.08  0.00   
1 1 1 41 30 12 o 3.9585  0.4453 3.4520  -43.7000  0.36   0.28   0.02   0.02   
1 1 1 41 30 13 o 5.9577  0.4494 ?       ?         0.30   1.33   -0.08  0.02   
1 1 1 41 30 14 o 4.0016  1.1169 ?       ?         1.19   -0.01  0.00   -0.06  
1 1 1 41 30 15 o 4.0215  0.8701 ?       ?         -0.42  0.20   0.00   -0.00  
1 1 1 41 30 16 o 3.2775  0.7845 ?       ?         -0.21  0.22   -0.00  -0.00  
1 1 1 41 30 17 o 0.2985  0.8146 ?       ?         -0.29  -0.67  0.00   0.02   
1 1 1 41 30 18 f 1.3038  0.8612 ?       ?         -0.55  -0.27  0.00   0.00   
1 1 1 41 31 0  o 3.1305  0.9728 1.2651  -0.0000   0.23   0.00   0.00   0.00   
1 1 1 41 31 1  o 2.7156  0.8941 3.8068  141.000   -0.04  0.20   -0.00  0.01   
1 1 1 41 31 2  o 10.402  0.2734 8.4865  68.200    -0.50  2.81   0.07   -0.67  
1 1 1 41 31 3  o 7.8572  0.3511 8.0297  88.800    -1.30  2.46   -0.52  0.31   
1 1 1 41 31 4  o 3.7941  0.5407 1.8976  5.2000    -0.36  0.33   -0.03  -0.01  
1 1 1 41 31 5  o 6.0510  0.4333 6.1674  -48.3000  0.23   -0.04  0.01   -0.00  
1 1 1 41 31 6  o 6.6525  0.3957 6.1072  98.800    0.60   0.67   0.07   0.04   
1 1 1 41 31 7  o 6.1746  0.4626 5.3810  -34.5000  0.26   -1.31  -0.01  0.10   
1 1 1 41 31 8  o 2.9276  0.3989 3.4722  -22.8000  0.13   -0.39  -0.01  0.02   
1 1 1 41 31 9  o 9.2125  0.2766 9.2774  -91.7000  -2.37  -0.43  -0.19  0.28   
1 1 1 41 31 10 o 5.6596  0.2846 3.4247  14.900    1.01   -1.02  0.18   -0.27  
1 1 1 41 31 11 o 6.5844  0.3277 6.8535  -142.2000 -0.06  -0.31  -0.01  0.00   
1 1 1 41 31 12 o 5.2219  0.4546 6.7117  173.300   0.28   0.15   0.00   -0.00  
1 1 1 41 31 13 o 3.8559  0.7333 ?       ?         0.52   0.02   0.01   -0.01  
1 1 1 41 31 14 f 5.2953  0.6185 ?       ?         0.07   0.31   -0.00  0.00   
1 1 1 41 31 15 o 4.3023  0.9207 ?       ?         0.25   0.38   0.00   0.00   
1 1 1 41 31 16 o 2.5257  1.0949 ?       ?         0.64   0.47   -0.00  0.02   
1 1 1 41 31 17 o 0.6325  0.9438 ?       ?         -0.10  0.02   0.00   0.00   
1 1 1 41 32 0  o 2.3022  1.0878 2.0966  0.0000    -0.05  0.00   0.00   0.00   
1 1 1 41 32 1  o 5.9094  0.4444 4.5977  -102.9000 0.56   0.96   0.09   0.03   
1 1 1 41 32 2  o 7.9493  0.3381 7.0420  45.500    1.83   1.99   -0.66  0.68   
1 1 1 41 32 3  o 6.0870  0.4489 6.8349  -84.4000  0.45   0.12   0.02   0.01   
1 1 1 41 32 4  o 2.8972  1.2927 1.2770  -164.5000 0.19   -0.12  0.00   0.00   
1 1 1 41 32 5  o 6.0435  0.3978 3.0579  -50.3000  0.43   -0.08  0.00   -0.02  
1 1 1 41 32 6  f 3.3934  0.5894 4.4404  -170.2000 -0.07  0.29   -0.01  -0.01  
1 1 1 41 32 7  o 3.9871  0.4849 4.9441  -147.7000 0.06   0.35   0.01   0.01   
1 1 1 41 32 8  o 1.4390  0.8654 0.5148  145.300   0.11   -0.07  0.00   -0.01  
1 1 1 41 32 9  o 1.4402  0.6853 2.3548  -88.2000  -0.21  0.01   0.02   0.00   
1 1 1 41 32 10 o 4.0515  0.4083 4.1473  -145.8000 -0.04  -0.34  -0.01  -0.01  
1 1 1 41 32 11 o 8.8615  0.4069 10.352  -46.5000  2.72   -0.79  -0.15  -0.24  
1 1 1 41 32 12 o 3.4972  0.5963 ?       ?         -0.11  0.37   -0.00  -0.01  
1 1 1 41 32 13 o 9.6767  0.9849 ?       ?         -2.45  -2.84  0.14   0.02   
1 1 1 41 32 14 o 2.8629  1.3012 ?       ?         0.10   0.05   0.00   0.00   
1 1 1 41 32 15 o 4.4948  0.8392 ?       ?         -0.71  -0.26  0.00   0.01   
1 1 1 41 32 16 o 1.0954  0.9007 ?       ?         -0.25  0.21   0.00   0.00   
1 1 1 41 33 0  o 2.9496  0.9290 1.9520  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 41 33 1  o 3.5076  0.5934 5.1061  -36.7000  -0.05  -0.41  -0.02  0.02   
1 1 1 41 33 2  o 1.6637  0.8656 2.5796  -64.7000  0.01   -0.03  -0.00  -0.00  
1 1 1 41 33 3  f 4.5179  0.5354 3.4311  -89.8000  0.38   0.25   -0.01  0.01   
1 1 1 41 33 4  o 5.9946  0.4101 5.4021  -47.8000  -0.06  0.14   -0.00  -0.00  
1 1 1 41 33 5  o 0.0000  1.9652 ?       ?         0.11   0.06   0.01   0.01   
1 1 1 41 33 6  o 3.3033  0.6629 2.6300  172.300   -0.22  -0.15  0.00   0.01   
1 1 1 41 33 7  o 7.7509  0.4610 8.1071  4.1000    1.85   1.72   -0.17  0.17   
1 1 1 41 33 8  o 5.9294  1.0077 4.9064  152.200   -0.30  -0.74  -0.01  -0.00  
1 1 1 41 33 9  o 4.0281  0.4061 5.3712  -40.3000  1.11   -0.35  -0.00  -0.17  
1 1 1 41 33 10 o 1.6358  0.8185 2.5394  161.100   0.31   0.09   0.00   0.02   
1 1 1 41 33 11 f 6.8884  0.3884 ?       ?         -0.04  -1.07  -0.04  0.00   
1 1 1 41 33 12 o 0.0000  2.2482 ?       ?         0.05   0.22   -0.00  0.00   
1 1 1 41 33 13 o 5.2360  0.7328 ?       ?         -0.56  -0.79  -0.00  0.01   
1 1 1 41 33 14 o 1.5492  1.5165 ?       ?         0.59   0.37   0.00   0.00   
1 1 1 41 34 0  o 4.8580  0.7422 4.5861  180.000   0.41   0.00   0.00   0.00   
1 1 1 41 34 1  o 2.1558  0.7532 2.5729  -2.1000   0.42   -0.01  0.02   0.03   
1 1 1 41 34 2  o 2.6670  0.8037 2.7335  -24.4000  0.16   -0.09  0.00   0.00   
1 1 1 41 34 3  o 4.6929  2.0620 5.0310  -105.5000 -0.68  -0.67  0.01   -0.02  
1 1 1 41 34 4  f 2.4825  0.8345 1.6528  -31.1000  -0.08  -0.40  -0.00  0.03   
1 1 1 41 34 5  o 5.3954  0.4665 5.3862  81.100    -0.12  0.16   -0.00  -0.00  
1 1 1 41 34 6  o 5.9437  0.5247 6.8515  109.000   0.32   -0.15  -0.00  -0.01  
1 1 1 41 34 7  o 9.0632  0.5583 8.8612  -38.9000  1.63   -0.33  0.06   -0.01  
1 1 1 41 34 8  o 6.7309  0.7557 7.8295  -33.6000  -0.88  0.89   -0.01  -0.02  
1 1 1 41 34 9  o 3.4198  0.4994 3.9441  -161.6000 0.22   -0.99  -0.01  0.07   
1 1 1 41 34 10 o 7.1403  0.6934 5.7192  -155.8000 -0.76  -1.25  0.05   0.00   
1 1 1 41 34 11 o 3.3350  0.7220 ?       ?         0.56   -0.25  0.01   -0.01  
1 1 1 41 34 12 o 4.5607  0.9227 ?       ?         -0.21  0.35   0.00   0.00   
1 1 1 41 35 0  o 0.0000  2.4495 3.7829  180.000   0.03   0.00   0.00   0.00   
1 1 1 41 35 1  o 5.4085  0.4713 5.5196  157.200   -0.04  -0.21  0.00   0.00   
1 1 1 41 35 2  o 6.4847  0.4108 8.7387  -95.2000  1.43   -1.50  -0.15  -0.28  
1 1 1 41 35 3  o 4.9801  0.4605 6.2928  34.100    0.16   0.37   -0.01  0.01   
1 1 1 41 35 4  o 3.0853  0.7681 1.0633  160.100   -0.24  -0.32  0.01   0.01   
1 1 1 41 35 5  o 8.5248  0.5931 8.8211  -8.7000   0.75   -1.52  0.02   -0.05  
1 1 1 41 35 6  o 3.4971  0.9424 5.0771  94.600    -0.14  -0.33  -0.00  0.01   
1 1 1 41 35 7  o 4.3335  1.9273 4.0481  0.2000    0.56   -0.18  0.01   0.01   
1 1 1 41 35 8  o 3.5887  1.0855 2.9194  -94.4000  0.79   -0.16  0.01   -0.00  
1 1 1 41 35 9  o 2.2881  0.9972 1.2900  161.300   0.58   0.10   -0.02  0.05   
1 1 1 41 35 10 o 4.0866  0.5835 ?       ?         -0.23  0.49   0.00   0.00   
1 1 1 41 36 0  o 0.0000  3.2249 2.7301  0.0000    -0.04  0.00   0.00   0.00   
1 1 1 41 36 1  o 5.6751  0.5346 4.8879  127.700   -1.18  0.65   0.08   -0.03  
1 1 1 41 36 2  o 3.6035  0.7844 2.3563  -98.0000  -0.22  -0.22  -0.00  0.00   
1 1 1 41 36 3  o 13.349  0.3857 13.166  98.700    -1.52  0.96   -0.00  -0.06  
1 1 1 41 36 4  o 9.5152  1.1892 8.0898  166.600   -0.91  -0.30  -0.01  0.01   
1 1 1 41 36 5  o 4.0559  1.8670 2.8431  13.100    -0.06  0.17   0.00   -0.00  
1 1 1 41 36 6  o 2.5411  1.0641 3.8608  126.100   0.43   -0.36  0.01   -0.02  
1 1 1 41 36 7  o 2.6653  1.2238 4.8911  152.000   -0.70  -0.32  0.01   0.02   
1 1 1 41 36 8  o 3.4282  1.0910 3.2761  177.800   0.06   0.35   -0.00  0.00   
1 1 1 41 36 9  o 3.3466  0.9729 ?       ?         0.15   -0.32  0.00   0.00   
1 1 1 41 37 0  o 4.6043  1.1846 2.8697  -180.0000 -0.28  0.00   0.00   0.00   
1 1 1 41 37 1  o 1.4521  1.2370 0.7861  77.100    0.06   0.13   -0.00  0.00   
1 1 1 41 37 2  o 8.0626  0.5372 7.8013  6.8000    1.27   1.48   0.05   0.06   
1 1 1 41 37 3  o 2.9925  1.1094 3.0738  -134.4000 -0.64  -0.58  0.01   0.03   
1 1 1 41 37 4  o 5.8041  0.6964 6.8412  54.300    0.96   -0.01  0.01   -0.02  
1 1 1 41 37 5  o 1.5477  1.2586 2.6214  26.900    -0.28  -0.08  0.00   0.00   
1 1 1 41 37 6  o 3.5076  0.9912 4.1073  147.300   -0.40  0.17   0.00   -0.00  
1 1 1 41 37 7  o 2.9761  1.1198 3.7888  62.200    0.14   -0.37  -0.00  -0.00  
1 1 1 41 37 8  o 4.3631  0.8768 ?       ?         0.24   0.53   -0.00  0.00   
1 1 1 41 38 0  f 3.7148  1.3363 3.5928  180.000   -0.21  0.00   0.00   0.00   
1 1 1 41 38 1  o 2.3709  1.1667 2.1773  128.900   -0.13  -0.06  0.00   0.00   
1 1 1 41 38 2  o 4.9904  1.9475 6.6091  -117.6000 -0.39  -0.54  -0.01  -0.00  
1 1 1 41 38 3  o 4.5954  0.8642 3.9597  31.600    0.54   -0.06  0.00   0.00   
1 1 1 41 38 4  f 4.2053  1.6274 3.9174  43.300    0.02   0.69   -0.00  0.01   
1 1 1 41 38 5  o 6.1639  0.6637 5.9653  144.000   -1.16  -0.51  0.02   0.01   
1 1 1 41 38 6  o 3.7811  1.0162 2.0318  -93.3000  -0.06  -0.31  -0.00  0.00   
1 1 1 41 38 7  o 6.2738  1.0070 ?       ?         -0.19  -0.31  0.00   -0.00  
1 1 1 41 39 0  o 1.9494  1.4636 4.2503  0.0000    0.12   0.00   0.00   0.00   
1 1 1 41 39 1  o 7.2432  0.6193 6.3342  81.100    -0.14  0.98   -0.01  -0.01  
1 1 1 41 39 2  o 3.3935  1.0666 3.1492  141.900   -0.64  0.67   -0.01  -0.01  
1 1 1 41 39 3  o 6.0460  0.7429 5.6084  -145.1000 -0.18  -0.76  -0.01  -0.00  
1 1 1 41 39 4  f 5.4984  0.6908 4.4884  111.600   0.83   0.43   -0.01  0.01   
1 1 1 41 39 5  o 2.9398  1.1455 ?       ?         0.33   0.61   -0.00  0.01   
1 1 1 41 40 0  o 2.0976  1.5628 3.9620  0.0000    -0.41  0.00   0.00   0.00   
1 1 1 41 40 1  o 0.0000  2.6734 ?       ?         0.31   -0.37  -0.00  -0.01  
1 1 1 41 40 2  o 5.7758  0.6711 4.3268  104.000   -0.10  1.34   -0.02  -0.01  
1 1 1 41 40 3  o 0.0000  2.3512 ?       ?         0.64   0.43   0.01   0.03   
1 1 1 41 40 4  o 2.8107  1.5684 ?       ?         0.80   -0.02  0.00   0.00   
1 1 1 42 0  0  o 29.628  0.6359 25.218  180.000   -0.92  0.00   0.00   0.00   
1 1 1 42 0  1  o 4.9092  0.3331 2.1601  -44.5000  -0.08  0.08   0.00   0.00   
1 1 1 42 0  2  o 1.9235  0.6499 5.3249  -90.1000  0.00   0.01   0.00   0.00   
1 1 1 42 0  3  o 1.5811  0.7093 0.3649  -132.6000 0.02   0.02   0.00   0.00   
1 1 1 42 0  4  o 0.7746  0.8417 2.6691  0.1000    0.00   0.00   0.00   0.00   
1 1 1 42 0  5  o 7.9057  0.2808 8.7533  -45.0000  0.11   -0.11  0.00   0.00   
1 1 1 42 0  6  o 2.7386  0.5146 2.6297  90.100    -0.00  -0.04  0.00   0.00   
1 1 1 42 0  7  o 8.1486  0.2787 6.3750  45.000    -0.07  -0.07  0.00   0.00   
1 1 1 42 0  8  o 4.3128  0.4868 3.4369  -0.0000   0.07   0.00   0.00   0.00   
1 1 1 42 0  9  o 23.954  0.2090 23.755  -45.0000  0.53   -0.53  0.00   0.00   
1 1 1 42 0  10 o 2.7749  0.6779 1.5903  90.000    0.00   0.04   0.00   0.00   
1 1 1 42 0  11 o 14.381  0.2394 15.145  45.000    0.31   0.31   0.00   0.00   
1 1 1 42 0  12 o 8.6545  0.3013 8.4071  180.000   0.05   0.00   0.00   0.00   
1 1 1 42 0  13 o 0.0000  2.1909 3.7890  135.000   -0.04  0.04   0.00   0.00   
1 1 1 42 0  14 f 3.6332  0.6552 1.7580  90.000    0.00   0.07   0.00   0.00   
1 1 1 42 0  15 o 17.312  0.2337 17.450  -135.0000 -1.45  -1.45  0.00   0.00   
1 1 1 42 0  16 o 6.9210  0.4470 7.3413  180.000   -0.25  0.00   0.00   0.00   
1 1 1 42 0  17 o 7.5100  0.3858 8.1366  135.000   -0.38  0.38   0.00   0.00   
1 1 1 42 0  18 o 0.0000  2.5690 0.1300  -90.0000  0.00   0.02   0.00   0.00   
1 1 1 42 0  19 o 3.8471  0.7580 ?       ?         -0.01  -0.01  0.00   0.00   
1 1 1 42 0  20 o 7.7910  0.4883 ?       ?         0.06   0.00   0.00   0.00   
1 1 1 42 0  21 o 8.0187  0.4481 ?       ?         -0.82  0.82   0.00   0.00   
1 1 1 42 0  22 o 8.3666  0.7537 ?       ?         -0.00  -0.08  0.00   0.00   
1 1 1 42 1  0  o 22.186  0.1833 23.368  0.1000    0.55   0.00   0.00   0.00   
1 1 1 42 1  1  o 16.156  0.2624 15.881  93.500    -2.06  3.80   0.31   1.33   
1 1 1 42 1  2  o 3.8013  0.3004 4.3130  124.500   -0.10  0.26   0.02   0.10   
1 1 1 42 1  3  f 2.8374  0.4305 1.3651  -68.8000  0.28   1.12   0.17   -0.14  
1 1 1 42 1  4  o 6.5961  0.2040 8.5519  111.100   -0.44  0.39   -0.08  0.12   
1 1 1 42 1  5  o 15.864  0.2983 17.598  90.600    6.39   5.45   -1.62  -3.10  
1 1 1 42 1  6  o 4.2733  0.4579 6.4989  -15.3000  1.45   0.49   -0.11  -0.12  
1 1 1 42 1  7  f 9.9213  0.4103 11.456  16.200    1.70   5.26   1.20   -0.46  
1 1 1 42 1  8  o 3.1106  0.6026 2.7880  130.600   -0.95  -0.63  -0.02  -0.15  
1 1 1 42 1  9  o 12.988  0.1689 11.604  -18.1000  -0.94  -1.65  -0.26  -0.68  
1 1 1 42 1  10 o 11.730  0.6991 10.830  -93.1000  -1.96  -7.73  0.92   -0.25  
1 1 1 42 1  11 o 12.135  0.3853 11.426  -90.2000  -1.18  -2.07  0.03   -0.25  
1 1 1 42 1  12 o 4.4760  0.5276 3.1130  -134.9000 -0.82  -0.25  -0.06  -0.01  
1 1 1 42 1  13 o 10.861  0.2037 8.9327  -145.5000 0.01   -0.36  -0.06  -0.03  
1 1 1 42 1  14 o 7.6620  0.2568 6.7654  -163.0000 0.13   0.20   -0.01  -0.01  
1 1 1 42 1  15 o 9.5735  0.2331 8.9183  84.300    -0.86  0.65   0.20   -0.30  
1 1 1 42 1  16 o 4.1882  0.5906 3.3271  -15.6000  1.21   0.63   0.03   -0.14  
1 1 1 42 1  17 o 3.0358  0.5649 2.6190  138.400   -0.53  0.21   0.08   0.04   
1 1 1 42 1  18 o 4.2991  0.4713 3.2241  -4.4000   -0.23  0.50   -0.03  0.02   
1 1 1 42 1  19 o 3.2868  0.5913 ?       ?         -0.25  0.31   -0.02  -0.01  
1 1 1 42 1  20 o 4.1453  0.6098 ?       ?         -0.47  -0.65  0.03   0.02   
1 1 1 42 1  21 o 7.5980  0.4185 ?       ?         1.30   0.67   -0.03  0.07   
1 1 1 42 1  22 o 3.7441  0.9197 ?       ?         0.30   -0.19  0.00   -0.00  
1 1 1 42 2  0  o 7.3621  0.2558 11.758  -179.9000 0.01   0.00   0.00   0.00   
1 1 1 42 2  1  o 5.9619  0.2132 6.7138  -21.8000  -0.65  1.05   0.27   0.27   
1 1 1 42 2  2  o 9.4620  0.1590 8.8988  16.800    1.65   1.57   0.77   -1.61  
1 1 1 42 2  3  o 5.6541  0.5335 6.3350  -27.2000  2.56   -2.36  0.01   0.40   
1 1 1 42 2  4  o 14.394  0.2770 17.561  82.600    0.49   0.88   0.01   -0.06  
1 1 1 42 2  5  o 14.311  0.3439 18.473  -15.9000  3.33   -5.44  1.04   1.16   
1 1 1 42 2  6  o 6.6723  0.6140 10.348  -84.4000  3.30   -4.24  0.07   0.62   
1 1 1 42 2  7  o 9.3019  0.1728 9.7572  -108.6000 -0.47  -0.36  -0.51  0.14   
1 1 1 42 2  8  o 12.277  0.2401 13.569  -139.0000 0.54   -0.60  -0.04  0.06   
1 1 1 42 2  9  o 11.555  0.3351 11.711  -26.3000  4.13   -2.34  -0.15  1.36   
1 1 1 42 2  10 o 7.0784  0.2306 6.9140  33.200    0.32   1.18   0.05   -0.66  
1 1 1 42 2  11 o 7.7158  0.2427 7.7883  73.300    -0.32  0.09   -0.00  0.04   
1 1 1 42 2  12 o 2.1655  0.5919 2.1055  7.0000    0.06   0.24   0.04   0.05   
1 1 1 42 2  13 o 8.7923  0.2296 8.1671  -108.9000 -0.31  -0.31  0.07   0.01   
1 1 1 42 2  14 o 4.3699  0.3724 4.0666  162.400   0.23   -0.25  0.06   -0.02  
1 1 1 42 2  15 o 12.982  0.1859 12.894  149.100   -1.25  1.11   0.04   -0.61  
1 1 1 42 2  16 o 7.6685  0.2739 7.4602  84.800    0.93   0.29   -0.07  0.16   
1 1 1 42 2  17 o 4.0839  0.4684 4.1066  176.300   -0.46  -0.11  -0.01  0.04   
1 1 1 42 2  18 o 3.9767  0.4907 3.6414  -123.3000 0.25   0.22   0.02   0.01   
1 1 1 42 2  19 o 6.4765  0.3751 ?       ?         0.49   -0.63  -0.04  0.01   
1 1 1 42 2  20 o 4.1217  0.7132 ?       ?         -0.75  -0.39  0.03   -0.03  
1 1 1 42 2  21 o 3.9157  0.4674 ?       ?         -0.61  0.50   0.05   -0.02  
1 1 1 42 2  22 o 8.0001  0.6291 ?       ?         -1.21  -0.13  0.01   0.01   
1 1 1 42 3  0  o 11.203  0.2060 15.256  -0.0000   0.15   0.00   0.00   0.00   
1 1 1 42 3  1  o 12.252  0.1324 13.126  -113.2000 -0.62  -0.27  1.26   1.36   
1 1 1 42 3  2  o 11.248  0.2418 9.2945  104.100   -1.00  1.56   0.05   0.33   
1 1 1 42 3  3  o 7.4132  0.1900 9.4395  -175.2000 -0.68  0.77   -0.04  0.21   
1 1 1 42 3  4  o 6.2327  0.3181 4.4760  -114.0000 -2.60  -0.77  -0.55  -0.21  
1 1 1 42 3  5  o 19.039  0.2129 20.256  92.100    5.01   0.56   -2.27  0.75   
1 1 1 42 3  6  o 15.540  0.1361 14.290  -105.1000 0.19   -1.25  -0.20  0.97   
1 1 1 42 3  7  o 4.6548  0.2945 5.6711  -177.7000 -0.82  1.29   0.43   0.31   
1 1 1 42 3  8  o 14.339  0.1485 15.855  150.500   -0.24  -0.02  0.05   0.00   
1 1 1 42 3  9  o 6.7711  0.2616 7.6431  -83.2000  0.48   -0.26  0.19   -0.62  
1 1 1 42 3  10 f 10.916  0.2136 11.307  -88.4000  -0.28  -2.20  0.41   -0.60  
1 1 1 42 3  11 o 8.1984  0.2253 6.6325  -30.7000  0.55   -1.11  -0.07  0.35   
1 1 1 42 3  12 o 4.9110  0.3199 5.6124  130.500   -0.32  -0.02  -0.02  0.04   
1 1 1 42 3  13 o 4.5415  0.3674 4.1056  100.900   -0.15  -0.08  -0.01  0.02   
1 1 1 42 3  14 o 7.8390  0.5325 6.9503  13.400    2.99   0.05   -0.29  0.15   
1 1 1 42 3  15 o 4.0741  0.4451 4.2685  152.600   0.11   0.08   0.00   0.01   
1 1 1 42 3  16 f 3.4049  1.0964 3.8818  56.100    0.64   -0.23  -0.01  0.03   
1 1 1 42 3  17 o 7.3105  0.3614 7.1452  168.300   -0.19  0.56   -0.01  0.03   
1 1 1 42 3  18 o 5.5571  0.3778 6.1785  121.300   -0.35  0.27   -0.00  -0.04  
1 1 1 42 3  19 o 7.6837  0.3025 ?       ?         0.24   -0.56  -0.01  -0.04  
1 1 1 42 3  20 o 4.6822  0.6352 ?       ?         -0.32  0.10   -0.00  -0.00  
1 1 1 42 3  21 o 3.5426  0.6942 ?       ?         -0.35  0.18   0.01   -0.01  
1 1 1 42 3  22 o 2.6433  1.0918 ?       ?         -0.29  -0.55  -0.01  0.01   
1 1 1 42 4  0  o 6.8118  0.3019 5.7176  -179.9000 0.13   0.00   0.00   0.00   
1 1 1 42 4  1  f 11.203  0.2602 12.655  -110.7000 -4.35  -1.79  -1.62  -0.90  
1 1 1 42 4  2  o 7.2941  0.1854 5.3565  130.500   1.24   -0.07  -0.52  0.33   
1 1 1 42 4  3  o 5.2083  0.5030 4.2628  -140.3000 -1.53  1.07   -0.03  0.15   
1 1 1 42 4  4  o 1.3732  0.6172 0.1344  -46.6000  -0.04  -0.13  0.02   -0.00  
1 1 1 42 4  5  o 10.574  0.1689 11.291  -114.6000 3.06   1.08   -2.21  -0.34  
1 1 1 42 4  6  o 26.391  0.4321 23.787  151.300   -5.97  -0.64  -0.78  -0.69  
1 1 1 42 4  7  f 7.5971  0.2115 8.0553  -103.0000 0.65   -0.13  -0.05  0.15   
1 1 1 42 4  8  o 8.6972  0.1958 8.2252  86.000    0.17   -0.16  0.07   -0.03  
1 1 1 42 4  9  o 15.379  0.1477 18.267  145.600   -0.81  0.53   0.61   -0.38  
1 1 1 42 4  10 o 5.4893  0.3075 4.9606  46.800    -0.89  -0.00  -0.18  0.19   
1 1 1 42 4  11 o 4.5407  0.3518 4.1357  -127.4000 0.20   0.29   0.04   -0.01  
1 1 1 42 4  12 o 7.0498  0.3601 7.7997  137.300   0.15   2.07   0.30   -0.28  
1 1 1 42 4  13 o 8.2426  0.2323 8.9646  114.100   0.65   0.22   0.00   -0.07  
1 1 1 42 4  14 o 4.6662  0.4545 4.8910  138.100   -0.05  -0.20  0.00   0.00   
1 1 1 42 4  15 o 9.0023  0.2356 8.4775  43.000    0.49   0.34   0.05   0.11   
1 1 1 42 4  16 o 4.3373  0.8277 4.0261  80.100    0.18   0.13   0.00   -0.00  
1 1 1 42 4  17 o 2.9000  1.3304 3.1966  -2.9000   0.55   0.03   -0.02  -0.03  
1 1 1 42 4  18 o 2.6466  1.2305 2.8630  -35.4000  0.34   -0.13  0.00   0.02   
1 1 1 42 4  19 o 1.9181  0.7844 ?       ?         0.16   0.12   0.00   0.01   
1 1 1 42 4  20 o 10.247  0.2830 ?       ?         0.63   0.21   0.02   -0.00  
1 1 1 42 4  21 o 4.6651  0.6101 ?       ?         -0.19  0.40   0.00   -0.01  
1 1 1 42 4  22 o 4.8164  0.8917 ?       ?         0.22   -0.23  -0.00  -0.00  
1 1 1 42 5  0  o 36.152  0.4278 30.422  -180.0000 -0.30  0.00   0.00   0.00   
1 1 1 42 5  1  o 6.0425  0.2080 8.2294  -64.2000  2.26   -1.03  -1.19  0.73   
1 1 1 42 5  2  o 9.5286  0.1510 6.0149  -26.8000  1.90   -0.84  -0.98  0.44   
1 1 1 42 5  3  o 16.052  0.1319 14.280  170.900   -0.04  -0.09  0.00   0.00   
1 1 1 42 5  4  o 8.3507  0.1695 3.4824  100.200   -0.47  -0.32  -0.05  -0.05  
1 1 1 42 5  5  o 17.067  0.2285 15.245  -61.3000  -1.39  -1.11  0.06   -0.25  
1 1 1 42 5  6  o 30.279  0.6092 33.539  167.900   -0.08  -3.74  0.24   0.15   
1 1 1 42 5  7  o 13.722  0.3083 15.487  161.600   -3.04  -2.49  0.33   -0.97  
1 1 1 42 5  8  o 1.6468  0.6192 2.1350  -175.0000 0.06   -0.09  -0.06  -0.01  
1 1 1 42 5  9  o 12.657  0.1743 11.533  77.500    0.46   1.01   -0.66  0.88   
1 1 1 42 5  10 o 23.069  0.1857 22.051  43.900    0.63   1.69   -0.26  0.83   
1 1 1 42 5  11 o 11.087  0.1905 10.484  102.700   -0.24  0.70   -0.47  -0.02  
1 1 1 42 5  12 o 8.5456  0.3085 8.1102  45.100    -0.24  1.25   0.08   0.15   
1 1 1 42 5  13 o 7.4190  0.2584 7.8868  -45.6000  1.07   0.22   -0.03  -0.23  
1 1 1 42 5  14 o 1.2852  0.8280 1.4749  96.500    0.41   -0.45  -0.06  0.10   
1 1 1 42 5  15 o 4.1305  0.4403 3.0455  -131.8000 -0.00  -0.37  -0.02  0.05   
1 1 1 42 5  16 o 5.0742  0.3941 3.3425  159.600   -0.54  0.25   -0.05  -0.07  
1 1 1 42 5  17 o 3.3421  1.0246 2.0266  142.900   -0.57  0.21   -0.03  -0.00  
1 1 1 42 5  18 o 6.3581  0.5953 7.5039  -64.1000  0.52   -0.64  -0.02  0.02   
1 1 1 42 5  19 f 7.3343  0.5570 ?       ?         1.37   1.37   0.13   -0.05  
1 1 1 42 5  20 o 6.9716  0.3647 ?       ?         0.16   0.43   -0.01  0.00   
1 1 1 42 5  21 o 4.9888  0.5661 ?       ?         -0.51  -0.54  -0.00  0.02   
1 1 1 42 5  22 o 2.8393  1.1011 ?       ?         -0.16  0.03   0.00   -0.00  
1 1 1 42 6  0  o 3.2863  0.4626 8.4481  0.1000    0.10   0.00   0.00   0.00   
1 1 1 42 6  1  o 15.063  0.2062 17.136  63.400    1.31   0.21   -0.21  0.02   
1 1 1 42 6  2  o 10.346  0.3968 13.352  18.800    4.38   5.87   0.24   -1.93  
1 1 1 42 6  3  o 4.9655  0.2540 4.0907  -133.6000 0.09   0.29   0.01   -0.02  
1 1 1 42 6  4  o 3.3157  0.4186 3.9433  64.100    -0.51  -0.37  -0.02  -0.04  
1 1 1 42 6  5  o 11.502  0.1482 11.260  -172.2000 -0.93  -0.37  0.49   -0.77  
1 1 1 42 6  6  o 5.1511  0.2660 5.0504  67.000    0.23   1.70   0.46   0.03   
1 1 1 42 6  7  o 6.8044  0.2289 7.4091  166.800   -0.52  -0.10  0.63   0.27   
1 1 1 42 6  8  o 7.5955  0.3863 5.8606  176.100   -2.89  -3.20  0.44   -0.98  
1 1 1 42 6  9  o 8.9138  0.1933 8.1694  -106.6000 -0.35  -0.66  0.19   0.00   
1 1 1 42 6  10 o 7.5237  0.4284 6.5695  -167.5000 -0.41  1.11   0.04   0.07   
1 1 1 42 6  11 o 10.477  0.2761 10.354  -37.2000  1.86   -0.84  -0.04  0.39   
1 1 1 42 6  12 o 5.1713  0.3440 5.0951  -152.6000 -0.11  -0.09  -0.01  0.01   
1 1 1 42 6  13 o 5.7709  0.3345 6.8373  79.300    1.22   0.32   -0.20  0.08   
1 1 1 42 6  14 o 11.404  0.1911 9.9433  -146.6000 0.08   -0.75  -0.20  0.06   
1 1 1 42 6  15 o 12.464  0.1989 11.621  -4.9000   1.84   0.64   0.71   -0.01  
1 1 1 42 6  16 o 4.3126  0.4273 3.7052  -143.6000 -0.54  -0.25  -0.06  0.04   
1 1 1 42 6  17 o 7.1146  0.4881 5.9618  -71.3000  0.35   -2.18  0.20   -0.17  
1 1 1 42 6  18 o 8.4336  0.2811 8.0781  -31.4000  0.19   -1.32  -0.24  -0.12  
1 1 1 42 6  19 o 3.5358  0.5791 ?       ?         -0.44  -0.23  0.02   0.03   
1 1 1 42 6  20 o 3.9327  0.6166 ?       ?         0.69   0.40   -0.01  0.04   
1 1 1 42 6  21 o 1.5423  1.0773 ?       ?         0.18   0.27   0.00   0.01   
1 1 1 42 6  22 o 4.0153  0.9651 ?       ?         0.02   0.09   -0.00  0.00   
1 1 1 42 7  0  o 16.550  0.2029 13.981  0.1000    -0.32  0.00   0.00   0.00   
1 1 1 42 7  1  o 14.653  0.4488 11.893  10.0000   4.10   4.17   0.23   -0.97  
1 1 1 42 7  2  o 13.786  0.1293 12.994  -99.0000  -0.38  0.12   0.02   0.10   
1 1 1 42 7  3  o 14.496  0.1326 15.005  70.700    0.52   0.74   -1.12  -0.05  
1 1 1 42 7  4  o 5.5557  0.2303 7.3371  92.100    0.48   0.41   -0.03  -0.06  
1 1 1 42 7  5  o 18.834  0.1294 21.271  -41.8000  3.01   -0.20  -1.31  -1.99  
1 1 1 42 7  6  f 10.542  0.3246 10.554  132.100   -2.86  1.50   -0.46  0.36   
1 1 1 42 7  7  o 6.6172  0.2502 7.8392  125.600   -0.38  0.42   -0.02  0.05   
1 1 1 42 7  8  f 7.1665  0.2256 5.7514  -149.8000 0.71   -0.80  1.28   -1.92  
1 1 1 42 7  9  o 5.2518  0.5381 3.4206  96.400    0.96   2.59   0.21   -0.32  
1 1 1 42 7  10 o 6.5113  0.4614 6.6754  -46.5000  -0.85  0.58   -0.04  0.04   
1 1 1 42 7  11 o 7.7734  0.5500 9.7654  73.500    -1.28  0.96   -0.05  0.07   
1 1 1 42 7  12 o 13.104  0.1875 13.684  -72.3000  0.26   1.90   0.01   -0.61  
1 1 1 42 7  13 o 12.157  0.1883 14.165  92.400    -1.08  1.58   -0.74  -1.05  
1 1 1 42 7  14 o 13.680  0.1781 12.274  -91.1000  -0.66  -1.12  -0.43  0.23   
1 1 1 42 7  15 o 4.5104  0.4139 7.0779  82.900    -0.17  0.20   -0.01  -0.03  
1 1 1 42 7  16 o 8.0621  0.2654 7.6781  171.500   0.10   -0.31  -0.02  -0.01  
1 1 1 42 7  17 o 2.6246  0.6250 3.8675  -106.3000 0.02   -0.25  -0.02  0.01   
1 1 1 42 7  18 o 7.3449  0.3194 7.2558  -175.9000 0.44   -0.17  0.03   -0.02  
1 1 1 42 7  19 o 5.8237  0.3975 ?       ?         -1.05  0.20   0.07   0.07   
1 1 1 42 7  20 o 3.5353  0.6531 ?       ?         0.03   -0.11  -0.00  -0.00  
1 1 1 42 7  21 o 7.4832  0.4395 ?       ?         -0.26  -1.83  -0.09  0.02   
1 1 1 42 7  22 f 4.3199  0.9026 ?       ?         -0.01  0.62   -0.01  0.00   
1 1 1 42 8  0  o 6.1074  0.2964 5.0575  0.0000    -0.22  0.00   0.00   0.00   
1 1 1 42 8  1  o 14.478  0.2160 9.7109  -179.1000 -3.13  0.13   -0.86  -0.31  
1 1 1 42 8  2  o 19.652  0.1874 19.884  10.600    1.90   1.53   -0.55  -0.45  
1 1 1 42 8  3  o 4.3947  0.2762 3.3342  114.300   -0.99  0.05   -0.38  -0.14  
1 1 1 42 8  4  o 9.1657  0.1642 9.4775  122.500   0.33   0.28   -0.45  0.36   
1 1 1 42 8  5  o 14.338  0.1435 13.397  -114.5000 -0.39  -1.38  -2.18  2.02   
1 1 1 42 8  6  o 19.421  0.1627 21.673  -44.0000  1.88   0.96   0.22   -0.71  
1 1 1 42 8  7  o 8.1398  0.2550 5.0902  -68.1000  0.68   -0.22  -0.07  0.01   
1 1 1 42 8  8  f 6.6692  0.2385 4.4970  -69.4000  0.61   0.28   0.78   -0.18  
1 1 1 42 8  9  o 4.9750  0.3147 8.8840  -91.7000  -0.24  0.59   0.06   0.02   
1 1 1 42 8  10 o 7.2658  0.2382 7.0897  -102.7000 -0.87  -0.94  -0.34  -0.37  
1 1 1 42 8  11 o 11.851  0.1801 12.710  2.2000    -0.08  0.75   -0.25  0.27   
1 1 1 42 8  12 o 4.6351  0.3839 4.1520  -80.1000  -0.17  -0.01  -0.00  -0.01  
1 1 1 42 8  13 o 10.069  0.2137 11.131  -7.3000   0.33   -0.29  0.05   -0.07  
1 1 1 42 8  14 o 7.3117  0.4574 7.3683  -158.3000 -1.79  0.15   -0.16  -0.08  
1 1 1 42 8  15 o 4.3302  0.6421 4.2135  59.800    -0.89  0.03   -0.04  0.03   
1 1 1 42 8  16 o 3.8467  1.1196 4.0115  -32.9000  -0.32  0.30   -0.01  0.01   
1 1 1 42 8  17 o 3.4082  0.5130 2.1017  20.600    -0.07  0.58   -0.06  -0.06  
1 1 1 42 8  18 o 3.9334  0.5169 ?       ?         -0.39  0.14   0.01   0.02   
1 1 1 42 8  19 o 1.8770  0.9410 ?       ?         0.03   -0.33  -0.01  0.02   
1 1 1 42 8  20 o 2.2275  0.8799 ?       ?         -0.11  0.09   -0.00  -0.00  
1 1 1 42 8  21 o 6.6489  0.5151 ?       ?         -0.19  -0.73  -0.01  0.01   
1 1 1 42 8  22 o 3.7797  0.9787 ?       ?         0.10   -0.15  -0.00  -0.00  
1 1 1 42 9  0  o 2.3238  0.5722 0.3162  -177.2000 0.05   0.00   0.00   0.00   
1 1 1 42 9  1  o 10.045  0.1452 9.1672  -170.6000 -0.03  0.23   -0.20  -0.01  
1 1 1 42 9  2  o 15.049  0.4329 18.068  154.200   -8.05  0.23   -1.73  -0.34  
1 1 1 42 9  3  o 16.240  0.2401 18.488  88.400    -2.94  4.93   2.09   1.53   
1 1 1 42 9  4  o 8.3721  0.1747 6.6949  37.200    0.92   0.06   -0.38  0.34   
1 1 1 42 9  5  o 17.444  0.3912 19.710  113.900   -2.61  3.36   -0.08  0.63   
1 1 1 42 9  6  o 8.6342  0.1757 9.3977  -177.8000 0.01   0.11   0.00   0.00   
1 1 1 42 9  7  o 13.191  0.5334 13.383  -103.8000 0.52   -8.71  1.74   -0.32  
1 1 1 42 9  8  o 12.716  0.1628 11.295  -137.8000 -1.06  -0.83  0.66   -0.35  
1 1 1 42 9  9  o 8.9995  0.2200 9.9722  -72.4000  0.84   -0.95  -0.14  0.22   
1 1 1 42 9  10 o 4.2532  0.3670 3.2475  142.100   -0.17  0.02   0.04   0.04   
1 1 1 42 9  11 o 8.8569  0.2264 7.3617  -151.4000 0.35   -0.19  0.15   -0.10  
1 1 1 42 9  12 o 2.8051  0.5545 2.3444  -173.5000 0.26   -0.07  0.03   0.04   
1 1 1 42 9  13 o 4.6443  0.3804 3.8117  152.400   -0.22  0.33   0.05   -0.01  
1 1 1 42 9  14 o 4.6062  0.4043 3.7938  -22.3000  -0.09  0.44   -0.01  -0.08  
1 1 1 42 9  15 o 5.8672  0.3429 5.2998  -67.2000  -0.71  -0.55  0.20   0.01   
1 1 1 42 9  16 f 6.0777  0.3517 5.2101  -167.5000 0.17   -0.24  -0.01  0.01   
1 1 1 42 9  17 o 3.5463  0.5162 3.5889  -90.3000  -0.26  -0.07  -0.00  0.01   
1 1 1 42 9  18 o 3.7442  0.8078 ?       ?         0.53   0.15   -0.02  0.01   
1 1 1 42 9  19 o 4.2698  0.5554 ?       ?         -0.32  0.91   0.02   -0.05  
1 1 1 42 9  20 o 2.9188  0.8378 ?       ?         -0.38  0.16   -0.00  -0.01  
1 1 1 42 9  21 o 2.2186  0.9851 ?       ?         0.39   0.43   0.01   0.02   
1 1 1 42 9  22 o 3.2107  1.0814 ?       ?         0.45   0.30   0.00   0.00   
1 1 1 42 10 0  o 4.6904  0.3557 6.5309  179.900   -0.01  0.00   0.00   0.00   
1 1 1 42 10 1  o 4.0064  0.3608 4.0422  -160.2000 -0.14  -1.78  0.35   0.03   
1 1 1 42 10 2  o 6.9761  0.5229 10.371  -145.7000 -7.33  -6.31  -0.65  -2.26  
1 1 1 42 10 3  o 18.681  0.3159 17.244  134.000   -10.17 1.59   -4.72  -0.34  
1 1 1 42 10 4  f 9.8363  0.2459 9.6991  -115.6000 -0.55  -2.10  0.46   -0.06  
1 1 1 42 10 5  o 9.8889  0.2219 12.191  -40.6000  -2.54  -3.02  -0.43  -1.77  
1 1 1 42 10 6  o 4.6383  0.2628 3.4098  -76.3000  0.36   -0.57  -0.03  0.17   
1 1 1 42 10 7  o 3.5530  0.3903 3.6794  -31.3000  0.82   0.56   0.00   -0.14  
1 1 1 42 10 8  o 14.023  0.1947 12.880  8.5000    2.62   -0.55  -0.94  -0.38  
1 1 1 42 10 9  o 5.6345  0.4318 5.4264  -2.0000   0.57   1.18   0.11   -0.06  
1 1 1 42 10 10 o 11.870  0.3227 13.225  -66.4000  -2.30  -1.58  0.06   -0.47  
1 1 1 42 10 11 o 5.4229  0.3037 5.3461  -174.4000 -0.10  -0.31  0.03   0.02   
1 1 1 42 10 12 f 6.1058  0.2817 4.0418  43.000    0.31   0.20   0.09   0.07   
1 1 1 42 10 13 o 7.9233  0.2575 10.224  -158.5000 -0.42  -0.50  0.10   0.00   
1 1 1 42 10 14 o 3.5862  0.4779 3.3103  176.200   0.22   0.22   0.01   0.05   
1 1 1 42 10 15 o 8.5432  0.2551 8.2392  -86.1000  -0.31  -0.19  0.00   0.04   
1 1 1 42 10 16 o 8.2658  0.2627 8.5994  -8.8000   0.80   1.02   -0.27  0.05   
1 1 1 42 10 17 o 4.3570  0.7282 5.4166  -107.3000 -0.42  0.39   -0.01  0.01   
1 1 1 42 10 18 o 4.3711  0.4717 ?       ?         0.14   0.19   -0.00  0.00   
1 1 1 42 10 19 o 8.4716  0.4333 ?       ?         0.42   0.18   -0.00  0.01   
1 1 1 42 10 20 o 5.1640  0.5608 ?       ?         -1.39  -0.02  0.05   0.03   
1 1 1 42 10 21 o 6.0528  0.5842 ?       ?         0.00   1.63   -0.03  -0.04  
1 1 1 42 10 22 f 2.3686  1.2905 ?       ?         -0.04  0.19   -0.00  -0.00  
1 1 1 42 11 0  f 5.6391  0.2865 9.1028  179.900   0.02   0.00   0.00   0.00   
1 1 1 42 11 1  o 18.339  0.1434 17.911  116.200   -4.25  -0.12  -2.31  -5.12  
1 1 1 42 11 2  o 8.9853  0.1579 10.298  -1.1000   1.05   1.63   0.76   -0.59  
1 1 1 42 11 3  o 15.150  0.1339 14.040  3.7000    0.21   -0.22  0.08   -0.05  
1 1 1 42 11 4  o 2.5576  0.4239 1.1730  -46.8000  0.06   -0.06  0.03   -0.03  
1 1 1 42 11 5  o 3.3307  0.5789 1.0360  45.400    0.52   -1.74  0.26   0.09   
1 1 1 42 11 6  o 9.9929  0.1643 9.3694  -124.8000 0.31   -1.08  -0.38  0.76   
1 1 1 42 11 7  o 10.695  0.1701 10.808  -120.3000 0.24   -0.51  -0.00  0.07   
1 1 1 42 11 8  o 10.614  0.1651 10.508  125.200   -2.07  0.29   -0.99  -2.00  
1 1 1 42 11 9  o 8.9535  0.3236 9.3765  -97.8000  -1.85  -0.37  -0.25  0.01   
1 1 1 42 11 10 o 16.867  0.3070 15.397  -108.6000 0.95   -3.72  0.32   0.72   
1 1 1 42 11 11 o 10.382  0.1910 11.321  -120.0000 -0.44  -1.17  -0.19  -0.34  
1 1 1 42 11 12 o 1.3207  0.7114 3.2596  77.200    -0.09  -0.16  -0.07  0.01   
1 1 1 42 11 13 o 11.400  0.1929 12.938  -126.8000 0.50   -2.37  -0.24  0.89   
1 1 1 42 11 14 o 11.388  0.1991 12.494  -112.2000 0.62   1.37   -0.49  0.11   
1 1 1 42 11 15 o 5.6367  0.7265 6.2964  99.000    -1.67  0.70   -0.12  0.02   
1 1 1 42 11 16 o 5.0927  0.4510 3.3797  62.400    -0.17  -0.60  -0.00  -0.04  
1 1 1 42 11 17 o 3.0498  1.3823 2.0217  -68.3000  0.16   -0.55  0.03   -0.01  
1 1 1 42 11 18 o 6.6577  0.5888 ?       ?         -0.83  1.53   -0.08  0.08   
1 1 1 42 11 19 o 2.3029  1.0857 ?       ?         0.18   0.16   -0.01  0.01   
1 1 1 42 11 20 o 6.9491  0.4411 ?       ?         1.64   0.85   0.08   0.05   
1 1 1 42 11 21 o 1.6738  1.0865 ?       ?         0.18   0.53   -0.01  0.01   
1 1 1 42 11 22 o 1.4290  1.2851 ?       ?         0.37   -0.27  -0.00  -0.01  
1 1 1 42 12 0  o 0.0000  1.8166 0.7961  179.300   -0.01  0.00   0.00   0.00   
1 1 1 42 12 1  o 19.799  0.1267 17.384  -26.4000  0.10   -1.97  0.53   -1.67  
1 1 1 42 12 2  o 18.331  0.5131 18.239  -101.9000 -5.98  -9.02  0.25   -2.17  
1 1 1 42 12 3  o 11.676  0.2332 11.769  108.600   1.17   4.37   1.99   -0.17  
1 1 1 42 12 4  o 14.446  0.1702 14.537  -69.5000  2.79   -0.06  -1.01  -0.76  
1 1 1 42 12 5  o 4.3796  0.2996 6.8790  37.700    -0.33  0.15   -0.16  -0.10  
1 1 1 42 12 6  f 6.2693  0.2208 5.6399  112.100   -0.53  0.40   -0.34  0.04   
1 1 1 42 12 7  o 6.0448  0.2560 3.5652  -120.4000 0.31   -1.33  0.35   -0.04  
1 1 1 42 12 8  o 15.660  0.2879 14.259  60.400    0.99   1.41   0.16   -0.10  
1 1 1 42 12 9  o 8.7240  0.3902 8.6424  124.800   -1.06  1.56   0.00   0.18   
1 1 1 42 12 10 o 8.3423  0.2257 10.667  170.300   -0.10  -2.04  0.63   0.60   
1 1 1 42 12 11 o 16.177  0.1555 15.939  -136.5000 -1.48  -0.25  0.66   0.22   
1 1 1 42 12 12 o 7.7480  0.2544 7.8368  -78.4000  -0.04  0.60   0.02   -0.11  
1 1 1 42 12 13 o 3.8026  0.4269 3.9027  55.000    -0.06  -0.10  0.00   0.01   
1 1 1 42 12 14 o 5.3085  0.3648 3.9780  40.100    -0.16  -0.38  -0.01  0.07   
1 1 1 42 12 15 o 7.2954  0.2982 7.3741  -156.7000 -0.76  1.06   0.19   -0.03  
1 1 1 42 12 16 o 9.9493  0.2771 11.115  -133.6000 0.40   -0.42  -0.03  0.00   
1 1 1 42 12 17 o 6.1034  0.3609 6.1262  44.300    -0.71  -0.30  -0.03  0.07   
1 1 1 42 12 18 o 5.4801  0.4273 ?       ?         0.89   0.71   0.09   0.05   
1 1 1 42 12 19 o 0.0000  2.0111 ?       ?         0.07   0.19   -0.00  0.01   
1 1 1 42 12 20 f 5.7164  0.5450 ?       ?         0.64   -0.17  0.01   0.01   
1 1 1 42 12 21 o 6.6576  0.5285 ?       ?         -1.54  1.31   0.02   -0.05  
1 1 1 42 12 22 o 1.5668  1.1806 ?       ?         0.97   -0.47  0.02   -0.03  
1 1 1 42 13 0  o 3.3317  0.4463 2.8937  179.800   0.08   0.00   0.00   0.00   
1 1 1 42 13 1  o 5.4916  0.2228 4.1660  107.000   0.87   -0.55  -0.13  0.13   
1 1 1 42 13 2  o 7.0057  0.4102 6.2519  -26.2000  5.05   -1.92  -1.18  0.66   
1 1 1 42 13 3  o 3.1353  0.3548 4.8786  -160.5000 0.11   -0.11  0.03   0.02   
1 1 1 42 13 4  o 11.340  0.2593 11.827  -76.5000  2.52   -1.23  -0.68  0.26   
1 1 1 42 13 5  o 8.5075  0.1823 10.505  20.700    1.37   0.31   -0.49  0.17   
1 1 1 42 13 6  o 10.539  0.1533 10.455  -61.5000  -0.08  -0.93  -0.13  -0.65  
1 1 1 42 13 7  o 5.5098  0.2631 5.8881  107.300   0.11   0.61   -0.09  -0.44  
1 1 1 42 13 8  o 6.5190  0.3334 7.1518  150.100   0.12   0.55   0.02   -0.02  
1 1 1 42 13 9  o 9.6795  0.2501 10.350  15.800    0.72   -0.48  0.01   0.08   
1 1 1 42 13 10 o 21.870  0.1742 23.081  19.500    2.45   2.49   -1.41  -0.20  
1 1 1 42 13 11 f 9.6396  0.5253 6.5402  -146.6000 0.97   -1.12  -0.03  0.08   
1 1 1 42 13 12 o 7.6366  0.3081 7.9697  -122.6000 -1.21  -0.53  -0.17  -0.00  
1 1 1 42 13 13 o 5.7835  0.3261 6.7227  -87.7000  -0.74  -1.37  -0.35  -0.39  
1 1 1 42 13 14 o 2.9069  0.5567 1.9540  -108.0000 0.12   0.10   -0.01  0.01   
1 1 1 42 13 15 o 7.2559  0.2970 8.8577  118.400   -0.10  -0.59  0.02   0.03   
1 1 1 42 13 16 o 2.3112  1.0863 2.1447  -168.2000 0.10   0.28   -0.00  -0.02  
1 1 1 42 13 17 o 1.9834  0.7902 2.3134  3.3000    -0.07  0.24   0.00   -0.02  
1 1 1 42 13 18 o 4.0569  0.5529 ?       ?         -0.15  0.01   0.00   0.00   
1 1 1 42 13 19 o 6.9152  0.4270 ?       ?         0.16   -0.06  0.00   -0.00  
1 1 1 42 13 20 o 5.9683  0.7118 ?       ?         0.73   0.62   0.02   -0.00  
1 1 1 42 13 21 f 2.3081  0.9933 ?       ?         -0.51  -0.00  0.01   -0.00  
1 1 1 42 14 0  o 13.282  0.1820 11.866  -180.0000 0.00   0.00   0.00   0.00   
1 1 1 42 14 1  o 9.8337  0.1428 8.2182  -55.7000  0.11   0.08   0.01   -0.01  
1 1 1 42 14 2  f 14.154  0.1477 14.374  -23.8000  -0.21  -1.10  0.11   -0.23  
1 1 1 42 14 3  f 7.8880  0.3767 6.4077  86.100    3.63   3.37   0.33   -1.31  
1 1 1 42 14 4  o 6.8681  0.1961 9.6393  -74.1000  0.59   0.54   0.28   -0.23  
1 1 1 42 14 5  o 15.449  0.4263 17.626  89.200    -1.73  1.05   -0.11  0.08   
1 1 1 42 14 6  o 4.1032  0.3015 4.9500  -5.4000   -0.01  0.14   -0.06  0.02   
1 1 1 42 14 7  o 7.6322  0.2172 7.6844  -175.7000 -1.02  -1.26  0.92   -0.35  
1 1 1 42 14 8  o 3.5490  1.3421 2.0883  129.900   0.19   3.05   0.30   -0.08  
1 1 1 42 14 9  o 5.7123  0.2744 7.1720  36.100    -0.10  0.38   0.05   -0.15  
1 1 1 42 14 10 o 7.1796  0.2480 7.3055  47.600    -0.01  0.51   -0.07  0.14   
1 1 1 42 14 11 o 3.0990  1.3858 1.4416  -83.0000  0.53   -0.70  0.03   0.05   
1 1 1 42 14 12 o 6.6124  0.2821 7.2682  -167.8000 -0.83  -0.33  0.13   -0.17  
1 1 1 42 14 13 o 10.567  0.3157 11.708  128.500   -1.46  -0.90  0.07   -0.17  
1 1 1 42 14 14 o 13.754  0.1831 13.703  3.9000    -0.05  -1.03  -0.17  -0.03  
1 1 1 42 14 15 o 1.9634  0.9379 1.9461  -67.0000  0.14   0.12   -0.01  -0.00  
1 1 1 42 14 16 o 5.4306  0.3660 6.2903  118.000   0.39   -0.16  0.04   -0.02  
1 1 1 42 14 17 o 10.676  0.2402 11.008  32.500    -0.34  -1.74  -0.31  -0.02  
1 1 1 42 14 18 o 2.8511  0.6448 ?       ?         -0.08  -0.01  0.00   0.00   
1 1 1 42 14 19 o 4.3040  0.6156 ?       ?         -0.64  -0.05  0.02   0.00   
1 1 1 42 14 20 o 3.3913  0.7988 ?       ?         0.10   0.43   -0.01  -0.00  
1 1 1 42 14 21 o 1.1831  1.1552 ?       ?         -0.27  -0.02  0.00   -0.00  
1 1 1 42 15 0  o 8.6313  0.2422 5.4128  -0.0000   -0.12  0.00   0.00   0.00   
1 1 1 42 15 1  o 12.431  0.1334 12.976  -82.9000  -0.60  -1.10  -0.23  -0.57  
1 1 1 42 15 2  o 3.1622  0.7666 3.0782  113.100   -0.32  1.85   0.17   0.03   
1 1 1 42 15 3  o 11.848  0.2976 10.704  137.300   -5.63  2.18   -2.40  0.61   
1 1 1 42 15 4  o 11.344  0.1442 11.865  -98.4000  -0.74  -0.88  -1.19  0.56   
1 1 1 42 15 5  o 7.5429  0.1887 9.2131  -130.1000 -0.27  -0.43  -0.00  0.56   
1 1 1 42 15 6  o 8.2964  0.1861 6.6723  -40.6000  1.23   -0.58  -0.03  0.35   
1 1 1 42 15 7  o 15.289  0.1377 15.347  49.100    1.43   -0.39  -0.39  -0.39  
1 1 1 42 15 8  o 12.592  0.1604 13.511  -8.0000   1.59   -0.11  0.84   -1.75  
1 1 1 42 15 9  o 10.882  0.1846 10.079  46.300    -0.34  0.78   -0.30  0.21   
1 1 1 42 15 10 f 11.873  0.4483 12.933  101.900   -0.30  2.63   0.19   0.19   
1 1 1 42 15 11 o 8.3444  0.2255 9.8779  45.800    -0.37  0.08   0.08   0.02   
1 1 1 42 15 12 o 6.2799  0.2977 6.2931  -105.5000 -0.03  0.81   -0.10  0.24   
1 1 1 42 15 13 o 6.1223  0.3017 6.8294  79.500    0.48   0.85   -0.10  0.40   
1 1 1 42 15 14 o 12.683  0.1916 13.278  22.100    0.75   0.00   0.03   -0.07  
1 1 1 42 15 15 o 6.1003  0.3407 5.5399  10.400    1.22   0.23   -0.09  0.12   
1 1 1 42 15 16 o 8.1787  0.2803 8.7437  64.700    -0.23  0.67   -0.04  0.03   
1 1 1 42 15 17 o 8.4094  0.4574 ?       ?         -1.39  -0.12  -0.03  0.08   
1 1 1 42 15 18 o 0.0000  1.9429 ?       ?         -0.24  0.19   0.03   -0.04  
1 1 1 42 15 19 o 4.0613  0.6724 ?       ?         0.20   -0.49  -0.01  -0.00  
1 1 1 42 15 20 o 0.0000  2.2693 ?       ?         -0.33  -0.01  0.01   -0.00  
1 1 1 42 15 21 o 5.7698  0.5938 ?       ?         -0.25  -0.43  -0.00  0.00   
1 1 1 42 16 0  o 5.9076  0.2747 5.5291  -0.0000   -0.03  0.00   0.00   0.00   
1 1 1 42 16 1  o 17.980  0.1771 14.672  162.400   0.32   1.06   -0.01  -0.17  
1 1 1 42 16 2  o 10.311  0.1807 9.7534  102.100   2.83   3.11   -1.63  -2.50  
1 1 1 42 16 3  o 9.0399  0.1511 9.8731  -167.9000 -0.37  0.67   0.20   0.02   
1 1 1 42 16 4  o 7.2479  0.2274 8.3491  99.400    -2.72  1.09   -1.03  0.34   
1 1 1 42 16 5  o 14.450  0.2777 15.144  144.000   1.08   0.25   -0.08  0.01   
1 1 1 42 16 6  o 10.306  0.2295 12.294  80.300    -0.04  3.24   0.93   0.65   
1 1 1 42 16 7  o 14.057  0.1403 14.892  176.100   -1.87  -3.39  3.16   0.04   
1 1 1 42 16 8  o 11.837  0.1644 9.6636  -3.6000   0.46   0.14   0.12   -0.10  
1 1 1 42 16 9  o 5.4224  0.2649 5.1685  116.200   -0.65  -0.27  -0.31  0.54   
1 1 1 42 16 10 o 7.6083  0.2301 9.6696  -72.1000  0.94   0.59   0.21   -0.25  
1 1 1 42 16 11 o 12.386  0.1768 11.194  75.000    1.34   2.31   1.01   0.75   
1 1 1 42 16 12 o 4.7957  0.3778 5.5334  111.800   -0.75  0.77   0.15   0.08   
1 1 1 42 16 13 o 3.8779  0.4356 3.9469  70.300    0.24   0.53   0.04   0.01   
1 1 1 42 16 14 o 6.0970  0.3287 5.5092  29.300    0.25   -0.14  0.02   -0.00  
1 1 1 42 16 15 o 9.7787  0.2353 10.161  -102.0000 -0.05  -0.89  -0.06  0.09   
1 1 1 42 16 16 o 3.5774  0.5671 3.0293  43.700    0.30   -0.30  0.02   0.00   
1 1 1 42 16 17 o 5.9549  0.3813 ?       ?         1.01   1.09   -0.05  0.20   
1 1 1 42 16 18 o 1.6996  0.9866 ?       ?         -0.06  -0.20  0.00   0.01   
1 1 1 42 16 19 o 7.6810  0.5198 ?       ?         0.89   0.03   0.01   -0.01  
1 1 1 42 16 20 o 7.5876  0.4620 ?       ?         0.67   0.62   -0.00  0.02   
1 1 1 42 16 21 o 8.7851  0.4571 ?       ?         -0.61  -0.01  0.00   -0.00  
1 1 1 42 17 0  o 9.9599  0.1969 7.0403  0.0000    0.09   0.00   0.00   0.00   
1 1 1 42 17 1  o 12.442  0.1277 11.785  -80.5000  0.64   -0.67  -0.05  -0.96  
1 1 1 42 17 2  o 21.885  0.1899 22.192  93.800    1.80   2.80   -1.94  -0.08  
1 1 1 42 17 3  o 12.872  0.1316 14.659  -179.8000 -0.65  -0.43  0.44   0.48   
1 1 1 42 17 4  o 11.659  0.1358 12.717  114.800   -0.40  0.56   -0.35  0.06   
1 1 1 42 17 5  f 16.780  0.1428 15.419  116.400   -0.78  0.66   -0.26  -0.04  
1 1 1 42 17 6  o 6.3161  0.5847 5.6085  -41.3000  4.34   -2.25  -0.24  0.53   
1 1 1 42 17 7  o 2.5152  0.9769 1.6855  -157.6000 -0.50  0.77   0.02   0.08   
1 1 1 42 17 8  o 2.6679  0.4788 2.4642  -136.9000 -0.34  -0.10  -0.03  0.00   
1 1 1 42 17 9  o 3.0960  0.7333 4.0335  76.900    0.12   -0.25  0.00   0.01   
1 1 1 42 17 10 o 5.7261  0.2938 5.3040  104.400   0.06   0.72   0.07   0.07   
1 1 1 42 17 11 o 6.1237  0.2805 5.3337  -99.7000  0.67   0.24   0.16   -0.13  
1 1 1 42 17 12 o 2.3026  0.8045 2.6697  -8.6000   0.23   -0.19  0.01   0.02   
1 1 1 42 17 13 o 5.5666  0.3250 4.3069  130.900   -0.30  0.15   0.03   -0.03  
1 1 1 42 17 14 o 2.9983  0.5395 1.1131  -21.8000  -0.01  -0.63  -0.16  0.05   
1 1 1 42 17 15 o 5.3669  0.4889 5.0696  -161.0000 -0.10  -0.11  -0.00  -0.00  
1 1 1 42 17 16 o 8.2850  0.2914 7.8557  0.4000    0.68   -0.59  -0.04  -0.09  
1 1 1 42 17 17 o 3.2669  1.4666 ?       ?         0.01   0.35   0.00   -0.01  
1 1 1 42 17 18 o 4.1383  0.6095 ?       ?         0.11   -0.03  0.00   -0.00  
1 1 1 42 17 19 o 3.8344  0.8158 ?       ?         -0.40  -0.37  -0.00  0.01   
1 1 1 42 17 20 o 1.5012  1.1333 ?       ?         -0.54  -0.33  0.02   0.02   
1 1 1 42 17 21 o 6.6024  0.5371 ?       ?         2.78   0.52   0.06   0.00   
1 1 1 42 18 0  o 4.1833  0.3516 1.8652  180.000   0.20   0.00   0.00   0.00   
1 1 1 42 18 1  o 19.575  0.3031 19.522  75.700    -3.92  1.07   -0.30  0.77   
1 1 1 42 18 2  o 4.3942  0.2481 3.3923  -156.1000 0.12   0.07   -0.04  0.02   
1 1 1 42 18 3  o 12.294  0.2395 10.342  136.500   -5.32  0.93   -2.40  -0.46  
1 1 1 42 18 4  o 14.989  0.2538 14.821  156.200   -5.43  -1.65  -0.42  -2.79  
1 1 1 42 18 5  o 8.8932  0.1690 7.7011  -168.8000 0.35   -0.49  -0.40  -0.07  
1 1 1 42 18 6  f 3.5347  0.3262 1.6989  -56.2000  -0.44  0.01   -0.07  0.18   
1 1 1 42 18 7  o 7.6682  0.1680 8.6242  -31.7000  -0.31  0.00   -0.03  -0.03  
1 1 1 42 18 8  o 7.6713  0.2161 6.7175  51.400    0.53   -0.49  -0.16  0.07   
1 1 1 42 18 9  o 17.106  0.1543 17.475  -178.8000 -0.16  -0.78  -0.15  0.01   
1 1 1 42 18 10 o 1.3746  0.6666 3.5850  142.600   -0.10  0.19   -0.05  0.04   
1 1 1 42 18 11 o 5.7759  0.2923 6.9307  137.300   -0.26  -0.48  -0.16  0.01   
1 1 1 42 18 12 o 8.1401  0.2309 7.4827  -57.5000  0.98   -0.47  0.35   -0.07  
1 1 1 42 18 13 o 3.7594  0.8251 0.8398  -80.4000  0.34   0.15   -0.01  -0.00  
1 1 1 42 18 14 o 5.1618  0.8728 6.1427  18.300    0.17   1.04   0.03   0.01   
1 1 1 42 18 15 o 7.6989  0.2917 7.4068  -98.6000  0.36   -0.52  -0.05  -0.01  
1 1 1 42 18 16 o 4.1875  1.1232 3.0236  147.400   -0.23  -0.63  0.02   -0.00  
1 1 1 42 18 17 o 4.0125  0.4972 ?       ?         -0.02  0.57   -0.03  -0.00  
1 1 1 42 18 18 o 6.2043  0.4711 ?       ?         -0.21  -0.42  -0.00  0.01   
1 1 1 42 18 19 o 4.9236  0.6251 ?       ?         0.05   -0.26  -0.00  0.00   
1 1 1 42 18 20 o 3.1847  0.8333 ?       ?         -0.09  0.01   0.00   0.00   
1 1 1 42 18 21 f 1.0236  1.1467 ?       ?         -0.23  0.42   -0.00  -0.01  
1 1 1 42 19 0  o 17.263  0.1862 18.975  -0.0000   0.32   0.00   0.00   0.00   
1 1 1 42 19 1  o 13.098  0.2855 11.965  -170.8000 -0.48  1.96   0.13   0.18   
1 1 1 42 19 2  o 15.107  0.1182 16.136  47.600    0.17   2.28   0.18   2.37   
1 1 1 42 19 3  o 13.284  0.3423 10.601  -158.9000 -0.93  -2.43  0.11   -0.25  
1 1 1 42 19 4  o 5.5401  0.2047 4.9844  -99.3000  -1.18  0.13   -0.29  -0.10  
1 1 1 42 19 5  o 6.6728  0.1869 8.7826  -43.5000  0.92   -0.53  1.28   0.59   
1 1 1 42 19 6  o 9.7341  0.1777 9.9835  158.400   -1.26  -0.91  2.40   0.93   
1 1 1 42 19 7  o 8.7340  0.5168 9.3124  61.900    0.44   0.17   -0.00  -0.00  
1 1 1 42 19 8  o 5.9143  0.3351 3.1073  -42.8000  -0.94  0.95   -0.10  0.15   
1 1 1 42 19 9  f 13.290  0.1573 14.147  61.900    -0.31  0.40   0.04   -0.06  
1 1 1 42 19 10 o 6.4881  0.2522 6.1673  101.400   -0.01  -0.52  -0.17  -0.05  
1 1 1 42 19 11 o 8.2818  0.2271 7.0337  -97.3000  0.15   -0.43  -0.08  -0.04  
1 1 1 42 19 12 o 3.4834  0.4324 2.5460  12.500    -0.04  -0.10  -0.01  0.00   
1 1 1 42 19 13 o 9.8266  0.2116 9.4093  129.600   -2.10  0.71   0.88   0.31   
1 1 1 42 19 14 o 3.4132  0.5095 3.7879  148.900   -0.21  -0.02  0.00   -0.01  
1 1 1 42 19 15 o 4.3477  0.5229 4.0985  165.900   -0.95  0.17   -0.04  -0.05  
1 1 1 42 19 16 o 6.1629  0.3905 5.9704  -50.6000  0.14   -0.49  -0.03  -0.01  
1 1 1 42 19 17 o 7.1324  0.3820 ?       ?         0.76   -0.36  0.03   0.01   
1 1 1 42 19 18 o 3.6501  0.6856 ?       ?         0.15   0.29   -0.00  0.00   
1 1 1 42 19 19 o 3.8149  0.7552 ?       ?         -0.39  -0.12  0.01   0.00   
1 1 1 42 19 20 o 7.4898  0.6958 ?       ?         0.13   -0.17  -0.00  -0.00  
1 1 1 42 20 0  o 1.6432  0.7925 3.6818  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 42 20 1  o 6.5716  0.2368 5.6583  70.700    0.55   0.30   -0.07  0.55   
1 1 1 42 20 2  o 5.6811  0.2783 5.8305  110.700   0.07   0.18   0.00   0.05   
1 1 1 42 20 3  o 2.8329  0.3521 2.5213  150.000   0.12   0.18   0.06   0.01   
1 1 1 42 20 4  f 11.128  0.3449 9.4811  126.300   -5.08  3.19   -0.11  1.47   
1 1 1 42 20 5  o 12.453  0.1354 13.739  -77.6000  1.03   -0.75  -0.73  -0.13  
1 1 1 42 20 6  o 20.042  0.1382 18.051  -42.7000  -0.41  -1.51  -0.37  -0.34  
1 1 1 42 20 7  o 4.8053  0.2735 2.2058  106.900   0.64   -0.53  0.36   0.21   
1 1 1 42 20 8  o 8.8132  0.1949 10.601  -99.0000  0.27   -0.50  0.07   -0.16  
1 1 1 42 20 9  o 5.7599  0.2775 4.1174  -53.9000  0.85   -0.08  0.07   0.31   
1 1 1 42 20 10 f 4.3312  0.6262 3.0606  -95.3000  -1.00  -0.11  -0.05  0.02   
1 1 1 42 20 11 o 9.4617  0.2345 7.6157  166.500   -1.28  -1.37  0.34   -0.15  
1 1 1 42 20 12 o 3.9245  0.7595 5.3683  14.500    -0.86  1.29   -0.02  0.11   
1 1 1 42 20 13 o 6.9213  0.2750 5.7298  -171.5000 0.22   0.56   -0.07  -0.02  
1 1 1 42 20 14 o 12.861  0.1820 13.920  102.300   -0.65  1.32   -0.21  -0.13  
1 1 1 42 20 15 o 3.8553  0.5076 5.4601  -148.7000 -0.27  -0.62  0.02   0.05   
1 1 1 42 20 16 o 1.4729  0.9021 ?       ?         -0.38  0.13   -0.01  -0.03  
1 1 1 42 20 17 o 4.9712  0.5398 ?       ?         -0.58  0.44   -0.01  -0.02  
1 1 1 42 20 18 o 1.3018  1.0211 ?       ?         0.29   0.51   -0.01  0.03   
1 1 1 42 20 19 o 0.6713  1.0286 ?       ?         0.17   -0.14  0.00   -0.00  
1 1 1 42 20 20 o 5.4420  0.6213 ?       ?         -0.74  1.18   -0.02  0.00   
1 1 1 42 21 0  o 4.3589  0.4454 3.7196  -0.0000   0.12   0.00   0.00   0.00   
1 1 1 42 21 1  o 5.8049  0.2499 6.4175  177.700   -1.40  -0.75  0.00   -0.40  
1 1 1 42 21 2  o 5.6235  0.2644 4.5683  -109.1000 2.15   -0.34  -1.06  -0.51  
1 1 1 42 21 3  o 10.393  0.1730 8.9413  79.400    -0.17  0.81   0.18   -0.26  
1 1 1 42 21 4  f 4.2148  0.2647 4.8786  -43.2000  0.21   0.11   0.07   0.15   
1 1 1 42 21 5  o 11.631  0.1358 11.237  154.100   -0.06  0.75   0.10   -0.11  
1 1 1 42 21 6  f 6.1342  0.5099 6.2680  49.300    -4.83  0.56   -0.70  0.38   
1 1 1 42 21 7  o 9.8422  0.1518 9.6615  -160.9000 -0.21  -0.29  0.03   0.06   
1 1 1 42 21 8  o 5.7712  0.2843 6.6434  34.900    0.18   0.21   0.01   -0.01  
1 1 1 42 21 9  o 5.8486  0.2586 4.8600  85.400    -0.09  -0.21  0.01   0.02   
1 1 1 42 21 10 o 5.4726  0.2932 5.2751  -69.3000  -1.19  0.83   -0.38  0.02   
1 1 1 42 21 11 o 14.522  0.2662 15.206  -6.4000   1.70   0.82   0.16   -0.16  
1 1 1 42 21 12 o 4.0737  0.3977 3.3018  -94.9000  -0.24  -0.14  -0.01  0.01   
1 1 1 42 21 13 o 2.9224  0.5496 4.0670  177.100   -0.34  -0.42  -0.07  -0.01  
1 1 1 42 21 14 o 6.8255  0.3882 7.2939  42.800    0.30   0.85   -0.02  -0.05  
1 1 1 42 21 15 o 5.4780  0.5807 4.9214  -158.1000 -1.19  0.03   -0.02  0.06   
1 1 1 42 21 16 o 4.1440  0.5215 ?       ?         -0.24  0.08   0.00   -0.00  
1 1 1 42 21 17 o 6.3734  0.4312 ?       ?         0.11   0.43   -0.00  0.01   
1 1 1 42 21 18 f 4.3804  0.6192 ?       ?         -0.00  0.88   -0.01  0.02   
1 1 1 42 21 19 o 4.4712  0.6638 ?       ?         0.35   1.04   -0.00  0.03   
1 1 1 42 21 20 f 4.6037  0.6956 ?       ?         0.85   0.26   0.01   -0.00  
1 1 1 42 22 0  o 6.8337  0.3278 4.8733  180.000   0.10   0.00   0.00   0.00   
1 1 1 42 22 1  o 7.2188  0.3047 6.3594  -178.2000 -0.27  -1.21  0.14   0.00   
1 1 1 42 22 2  o 4.8085  0.7660 5.2940  -9.7000   0.69   2.00   0.11   -0.05  
1 1 1 42 22 3  o 9.0289  0.1942 9.9810  16.100    0.50   0.48   0.14   -0.08  
1 1 1 42 22 4  o 8.4801  0.3257 8.6438  -57.9000  -3.72  -4.29  -0.43  -1.76  
1 1 1 42 22 5  o 7.5553  0.1851 7.2910  122.800   0.38   0.01   0.18   0.07   
1 1 1 42 22 6  o 13.512  0.2867 12.541  -2.0000   3.04   0.68   -0.18  -0.61  
1 1 1 42 22 7  o 14.424  0.1331 14.436  -121.2000 -0.12  -1.19  -0.31  0.31   
1 1 1 42 22 8  o 6.2338  0.2285 5.5972  -99.9000  -0.97  -0.26  -0.00  -0.22  
1 1 1 42 22 9  o 6.4438  0.3860 6.8230  65.900    -2.15  2.33   -0.33  0.55   
1 1 1 42 22 10 o 0.0000  1.4576 ?       ?         -0.19  -0.08  0.07   -0.03  
1 1 1 42 22 11 o 1.8130  0.7565 1.2781  173.500   -0.26  -0.04  -0.00  -0.03  
1 1 1 42 22 12 o 1.6299  0.8025 0.4630  39.800    0.39   0.27   -0.06  -0.01  
1 1 1 42 22 13 o 4.3966  0.4219 5.2018  -107.5000 -0.73  -0.31  -0.06  0.05   
1 1 1 42 22 14 o 2.4879  0.6092 3.1191  154.800   -0.24  -0.08  0.02   0.01   
1 1 1 42 22 15 o 4.9008  0.4608 3.7786  -21.3000  0.47   0.22   -0.00  0.03   
1 1 1 42 22 16 o 6.9027  0.3789 ?       ?         0.36   0.34   0.01   0.01   
1 1 1 42 22 17 o 9.0976  0.6587 ?       ?         2.56   -2.70  -0.24  -0.07  
1 1 1 42 22 18 o 5.7670  0.7174 ?       ?         0.94   0.45   0.02   -0.01  
1 1 1 42 22 19 o 2.9708  0.8929 ?       ?         -0.22  0.27   -0.00  -0.00  
1 1 1 42 22 20 o 3.4294  0.9322 ?       ?         -0.04  0.88   -0.00  -0.00  
1 1 1 42 23 0  f 15.569  0.2247 15.250  -0.0000   0.76   0.00   0.00   0.00   
1 1 1 42 23 1  o 8.4104  0.2920 8.1394  173.100   -2.64  -2.04  0.19   -0.84  
1 1 1 42 23 2  o 4.3266  0.3053 3.0634  18.600    0.29   -0.55  -0.00  0.09   
1 1 1 42 23 3  o 15.950  0.3041 15.964  40.000    0.10   0.11   0.00   -0.00  
1 1 1 42 23 4  o 5.0894  0.3673 6.6476  -24.9000  1.64   -0.63  -0.31  0.06   
1 1 1 42 23 5  o 14.197  0.3024 13.546  -94.4000  2.50   -4.13  -0.24  1.25   
1 1 1 42 23 6  o 6.3988  0.1894 5.0199  92.600    0.54   -0.47  0.09   0.09   
1 1 1 42 23 7  o 10.931  0.3203 10.146  -63.0000  2.05   -2.67  -0.26  0.55   
1 1 1 42 23 8  o 9.9474  0.1697 9.6241  -158.9000 -0.17  -0.05  -0.00  0.01   
1 1 1 42 23 9  o 4.7409  0.3070 3.8470  172.900   0.18   -0.52  0.06   -0.06  
1 1 1 42 23 10 o 7.2143  0.2353 7.6189  -166.8000 -0.42  -0.60  0.07   0.01   
1 1 1 42 23 11 o 3.5568  0.4073 4.0375  -166.3000 -0.35  -0.09  0.01   0.05   
1 1 1 42 23 12 f 6.0102  0.3045 3.6811  148.100   -0.53  0.43   -0.05  -0.09  
1 1 1 42 23 13 o 10.084  0.2150 10.572  105.900   1.95   0.87   0.39   0.52   
1 1 1 42 23 14 o 2.7057  0.6135 2.3895  35.200    0.22   0.03   0.00   0.01   
1 1 1 42 23 15 o 5.1017  0.5232 ?       ?         0.03   0.02   -0.00  0.00   
1 1 1 42 23 16 o 3.5997  0.6493 ?       ?         0.11   0.38   -0.01  0.00   
1 1 1 42 23 17 o 5.0077  0.5570 ?       ?         -0.10  -0.41  -0.00  0.01   
1 1 1 42 23 18 o 8.0901  0.9533 ?       ?         -0.83  0.33   -0.01  -0.01  
1 1 1 42 23 19 o 4.5608  1.1835 ?       ?         0.57   0.07   0.00   -0.00  
1 1 1 42 23 20 o 4.6081  0.7583 ?       ?         0.77   0.41   -0.00  0.00   
1 1 1 42 24 0  o 1.8166  0.6959 0.4833  -180.0000 -0.04  0.00   0.00   0.00   
1 1 1 42 24 1  o 4.7587  0.2716 2.8338  32.600    -0.33  0.34   0.02   0.03   
1 1 1 42 24 2  o 2.3008  0.4841 2.2239  165.000   -0.16  -0.02  -0.01  -0.01  
1 1 1 42 24 3  o 10.839  0.2034 10.489  -80.7000  0.71   -1.55  -0.03  0.35   
1 1 1 42 24 4  o 13.596  0.1675 13.524  29.000    0.63   2.73   0.20   1.55   
1 1 1 42 24 5  o 9.9861  0.1858 9.2977  -108.9000 0.25   0.38   -0.02  0.10   
1 1 1 42 24 6  o 8.3521  0.1766 8.6791  93.600    0.69   0.53   -0.19  0.37   
1 1 1 42 24 7  o 7.8523  0.1670 7.6844  -5.2000   0.31   -0.55  -0.23  -0.04  
1 1 1 42 24 8  o 9.1494  0.3668 9.7426  -128.2000 2.39   -1.91  -0.29  0.28   
1 1 1 42 24 9  o 4.1936  0.4481 4.4531  -111.4000 -0.19  -0.02  -0.00  -0.00  
1 1 1 42 24 10 f 8.9475  0.1869 8.2710  20.900    0.35   -0.37  -0.04  0.01   
1 1 1 42 24 11 o 10.116  0.5451 10.036  113.500   -5.24  6.45   -0.68  1.41   
1 1 1 42 24 12 o 3.1030  0.4729 2.7926  169.300   -0.61  -0.53  0.15   0.01   
1 1 1 42 24 13 o 8.6009  0.2423 8.1449  -95.5000  -0.12  -0.77  -0.08  -0.01  
1 1 1 42 24 14 f 2.6429  0.6275 3.4720  -138.3000 -0.18  -0.12  -0.00  0.01   
1 1 1 42 24 15 o 1.6796  0.7850 ?       ?         -0.06  0.18   -0.01  -0.00  
1 1 1 42 24 16 o 0.3079  0.7821 ?       ?         -0.08  0.04   0.00   -0.00  
1 1 1 42 24 17 o 3.9847  0.6613 ?       ?         0.01   -0.05  -0.00  -0.00  
1 1 1 42 24 18 o 5.2848  0.7143 ?       ?         0.34   -0.02  0.00   -0.00  
1 1 1 42 24 19 o 1.6261  1.0811 ?       ?         0.11   -0.41  -0.01  0.01   
1 1 1 42 25 0  o 6.7602  0.2219 6.4951  180.000   -0.11  0.00   0.00   0.00   
1 1 1 42 25 1  f 9.3892  0.4823 11.299  -47.4000  4.79   -3.64  -0.39  0.65   
1 1 1 42 25 2  o 2.1576  0.4339 1.1865  59.400    -0.32  -0.08  0.10   -0.16  
1 1 1 42 25 3  o 3.8901  0.3125 2.3564  10.300    -0.46  0.31   0.02   0.05   
1 1 1 42 25 4  o 13.689  0.1610 12.065  90.500    -0.33  -0.11  -0.01  0.01   
1 1 1 42 25 5  o 3.5923  0.3759 0.6875  35.400    -0.35  -0.10  0.04   -0.05  
1 1 1 42 25 6  o 6.7616  0.1840 5.4574  -9.7000   0.72   0.20   0.19   0.39   
1 1 1 42 25 7  o 5.5953  0.2902 5.1246  91.600    -0.71  1.88   0.06   0.40   
1 1 1 42 25 8  o 3.0915  0.3594 2.0920  15.400    0.28   -0.22  -0.02  0.01   
1 1 1 42 25 9  o 4.0882  0.3239 2.8737  -176.8000 0.45   0.97   0.19   0.05   
1 1 1 42 25 10 o 5.8400  0.2627 4.9458  -55.3000  -0.10  -0.49  -0.01  -0.04  
1 1 1 42 25 11 o 5.1194  0.3288 5.8212  119.400   -0.66  0.36   -0.07  -0.05  
1 1 1 42 25 12 f 4.5487  0.3794 4.5151  85.300    0.73   0.01   0.13   0.04   
1 1 1 42 25 13 o 5.3398  0.4005 5.2156  170.800   -0.09  0.03   -0.00  -0.00  
1 1 1 42 25 14 o 1.8288  0.8825 1.3897  148.000   0.09   -0.12  -0.01  -0.00  
1 1 1 42 25 15 o 3.9026  0.5341 ?       ?         0.07   0.17   -0.00  0.00   
1 1 1 42 25 16 o 10.756  0.3249 ?       ?         0.14   2.21   -0.08  0.05   
1 1 1 42 25 17 o 2.9992  1.2118 ?       ?         -0.67  -0.34  0.02   0.00   
1 1 1 42 25 18 o 3.0718  0.7094 ?       ?         -0.12  -0.17  -0.00  0.00   
1 1 1 42 25 19 o 1.8043  0.7552 ?       ?         0.22   -0.09  -0.00  -0.00  
1 1 1 42 26 0  o 5.6657  0.6316 6.9025  -180.0000 0.07   0.00   0.00   0.00   
1 1 1 42 26 1  o 7.5883  0.3540 6.5249  -166.1000 -0.32  -0.57  -0.08  0.11   
1 1 1 42 26 2  o 3.8474  0.5675 2.4555  -10.3000  -0.21  -0.21  -0.02  0.03   
1 1 1 42 26 3  o 4.3870  0.8052 3.2776  -25.7000  -2.15  -0.01  -0.22  -0.11  
1 1 1 42 26 4  o 6.9929  0.2920 7.4400  44.000    -1.32  1.78   -0.13  0.36   
1 1 1 42 26 5  o 7.3840  0.2137 6.9400  73.900    -0.36  0.28   0.08   -0.09  
1 1 1 42 26 6  o 3.1509  0.4125 3.0321  27.500    0.00   0.22   -0.03  0.02   
1 1 1 42 26 7  o 2.7752  0.6740 2.5938  -54.4000  -0.29  0.57   0.02   0.01   
1 1 1 42 26 8  o 6.8578  0.1871 6.3375  156.400   -0.77  0.31   0.04   0.11   
1 1 1 42 26 9  o 6.5374  0.2196 5.7302  -153.2000 -0.46  -0.23  0.01   0.11   
1 1 1 42 26 10 o 3.6281  0.3907 5.0593  -0.3000   0.41   0.48   0.09   0.02   
1 1 1 42 26 11 o 2.9980  0.4764 3.7927  -111.9000 0.12   -0.23  -0.01  -0.02  
1 1 1 42 26 12 o 10.516  0.2115 10.017  -81.6000  0.53   -1.31  -0.17  -0.11  
1 1 1 42 26 13 o 2.8763  0.5961 2.6136  55.500    0.24   -0.18  0.01   0.00   
1 1 1 42 26 14 o 2.1626  1.0094 ?       ?         0.21   -0.81  0.02   -0.11  
1 1 1 42 26 15 f 3.2510  0.7116 ?       ?         -0.23  -0.42  -0.00  0.01   
1 1 1 42 26 16 o 2.6811  0.9028 ?       ?         0.12   0.22   -0.00  0.00   
1 1 1 42 26 17 o 5.9597  1.0667 ?       ?         1.30   0.16   0.01   -0.02  
1 1 1 42 26 18 o 2.0121  0.8744 ?       ?         -0.42  -0.60  0.00   0.02   
1 1 1 42 26 19 o 3.1374  1.5353 ?       ?         -0.49  0.69   -0.01  0.00   
1 1 1 42 27 0  o 5.1865  0.6993 5.9310  0.0000    -0.19  0.00   0.00   0.00   
1 1 1 42 27 1  o 18.343  0.2772 18.968  -83.5000  0.70   -2.11  0.13   -0.22  
1 1 1 42 27 2  o 5.8075  0.3953 4.6807  35.700    -0.39  0.58   -0.06  0.03   
1 1 1 42 27 3  o 3.4667  0.9669 3.9122  29.800    0.43   -0.45  0.03   0.02   
1 1 1 42 27 4  o 3.5446  0.3946 1.5513  4.5000    0.26   0.07   -0.00  -0.01  
1 1 1 42 27 5  o 5.8712  0.6193 2.8124  4.8000    0.73   4.45   0.53   0.04   
1 1 1 42 27 6  o 5.4847  0.2987 6.2698  75.700    -1.30  -0.22  -0.06  -0.21  
1 1 1 42 27 7  o 3.8237  0.2944 3.4893  76.100    -0.36  -0.07  -0.00  -0.02  
1 1 1 42 27 8  o 8.6673  0.6373 7.0243  -178.9000 -3.33  4.27   -0.14  0.52   
1 1 1 42 27 9  o 9.9611  0.1963 10.512  -176.9000 -1.58  1.48   0.44   0.11   
1 1 1 42 27 10 o 2.5986  1.1628 2.3856  -62.2000  0.58   -0.56  0.04   0.06   
1 1 1 42 27 11 o 4.7716  0.6156 4.5822  -0.3000   0.19   -1.34  0.07   -0.04  
1 1 1 42 27 12 o 3.0054  0.5243 1.5250  148.600   -0.03  -0.18  -0.01  0.00   
1 1 1 42 27 13 o 6.7034  0.3029 5.1595  -84.0000  -1.94  -0.87  0.45   0.13   
1 1 1 42 27 14 f 5.8853  0.4234 ?       ?         0.45   -0.65  -0.02  -0.03  
1 1 1 42 27 15 o 3.7185  0.6922 ?       ?         -0.11  0.11   0.00   -0.00  
1 1 1 42 27 16 o 6.5371  0.6189 ?       ?         0.36   -1.02  -0.01  0.00   
1 1 1 42 27 17 o 3.1445  1.4850 ?       ?         0.39   0.42   0.01   0.00   
1 1 1 42 27 18 o 4.2886  1.2992 ?       ?         -0.25  0.94   -0.01  0.01   
1 1 1 42 28 0  o 4.4159  0.6113 4.6112  -0.0000   -0.19  0.00   0.00   0.00   
1 1 1 42 28 1  o 1.7164  0.8572 2.3844  104.800   0.27   -0.02  0.05   0.00   
1 1 1 42 28 2  o 6.1670  0.3697 6.8539  33.600    -0.00  0.35   -0.01  0.02   
1 1 1 42 28 3  o 3.0080  0.7079 2.6903  26.400    0.37   0.27   0.05   0.04   
1 1 1 42 28 4  o 7.8210  0.3082 7.7870  157.600   -0.67  0.30   0.11   -0.01  
1 1 1 42 28 5  o 9.3703  0.2162 10.300  -154.0000 -0.08  -0.92  -0.04  0.13   
1 1 1 42 28 6  o 12.167  0.1574 12.729  101.000   0.94   0.94   0.28   0.15   
1 1 1 42 28 7  o 1.6417  0.6873 2.9128  93.600    -0.37  0.12   -0.03  -0.01  
1 1 1 42 28 8  o 6.9482  0.1968 8.3851  39.900    0.47   0.96   0.15   0.18   
1 1 1 42 28 9  o 4.4616  0.2703 4.2843  -69.9000  0.86   -1.40  -0.54  0.26   
1 1 1 42 28 10 o 7.0634  0.3113 7.6136  142.600   -0.73  -1.07  -0.08  -0.08  
1 1 1 42 28 11 o 3.3058  1.1455 2.7418  161.700   0.49   -0.77  -0.01  0.04   
1 1 1 42 28 12 o 4.2880  0.4461 3.8175  -127.9000 0.33   0.38   0.02   0.02   
1 1 1 42 28 13 o 5.1845  0.4051 ?       ?         0.33   -0.04  0.01   -0.00  
1 1 1 42 28 14 o 1.6849  1.0008 ?       ?         -0.32  0.02   0.00   -0.01  
1 1 1 42 28 15 o 3.6825  1.2658 ?       ?         -0.25  -0.60  0.00   0.02   
1 1 1 42 28 16 o 8.9033  0.5486 ?       ?         0.25   -0.47  -0.00  -0.00  
1 1 1 42 28 17 o 1.3418  1.0451 ?       ?         -0.21  0.48   -0.01  -0.00  
1 1 1 42 28 18 o 0.0000  1.9520 ?       ?         -0.19  0.30   -0.01  -0.00  
1 1 1 42 29 0  o 4.0249  0.8040 0.1395  -0.0000   0.27   0.00   0.00   0.00   
1 1 1 42 29 1  o 6.0660  0.4531 6.6371  -23.0000  0.44   -0.26  0.02   0.01   
1 1 1 42 29 2  o 2.9523  0.6695 1.3601  68.000    0.10   -0.19  -0.01  0.00   
1 1 1 42 29 3  o 4.3316  0.5293 3.0631  -84.4000  0.29   0.09   0.02   0.01   
1 1 1 42 29 4  o 5.4109  0.5747 4.7993  145.700   -1.62  0.85   -0.20  -0.06  
1 1 1 42 29 5  o 5.2984  0.2793 4.6612  31.100    0.41   0.05   0.02   0.04   
1 1 1 42 29 6  o 3.9269  0.7374 2.9941  -79.9000  0.60   0.16   -0.01  -0.02  
1 1 1 42 29 7  o 5.0303  0.2778 5.8505  -36.4000  -0.17  -0.31  -0.02  -0.01  
1 1 1 42 29 8  o 3.0828  0.3559 2.9740  -24.5000  0.36   0.02   -0.00  0.03   
1 1 1 42 29 9  o 6.0648  0.2060 5.2610  44.500    -0.02  1.28   0.03   -0.21  
1 1 1 42 29 10 o 5.4109  0.2732 4.9819  -122.1000 -0.90  0.93   -0.27  -0.28  
1 1 1 42 29 11 o 5.3594  0.4085 6.2781  1.6000    0.95   -2.10  0.23   -0.17  
1 1 1 42 29 12 o 7.0021  0.3848 7.2993  -159.9000 -1.31  0.76   0.09   0.05   
1 1 1 42 29 13 o 4.2525  0.5381 ?       ?         0.15   -0.62  -0.02  -0.01  
1 1 1 42 29 14 o 3.8973  1.0007 ?       ?         -0.21  -0.55  0.00   0.01   
1 1 1 42 29 15 o 5.6754  0.6888 ?       ?         -0.32  0.40   0.00   -0.00  
1 1 1 42 29 16 o 6.0577  0.6969 ?       ?         -0.40  -0.78  -0.01  0.00   
1 1 1 42 29 17 o 4.7905  2.2084 ?       ?         -0.10  0.22   -0.00  0.00   
1 1 1 42 29 18 o 0.0000  2.3238 ?       ?         0.15   0.37   0.00   0.00   
1 1 1 42 30 0  o 2.5100  0.9944 1.5747  180.000   -0.02  0.00   0.00   0.00   
1 1 1 42 30 1  o 2.9112  0.6868 2.6203  -100.4000 -0.23  0.00   0.01   -0.00  
1 1 1 42 30 2  o 4.6746  0.5368 3.9059  -154.1000 0.35   0.04   0.02   0.01   
1 1 1 42 30 3  o 5.2808  0.4872 5.9367  101.300   0.27   -0.10  0.01   -0.01  
1 1 1 42 30 4  o 2.1168  0.8717 1.7720  -43.4000  0.19   -0.61  -0.08  0.08   
1 1 1 42 30 5  o 7.2024  0.7385 8.3664  28.900    2.44   1.68   0.18   -0.21  
1 1 1 42 30 6  o 3.1137  1.1916 2.7786  -22.5000  0.82   -0.40  -0.09  -0.01  
1 1 1 42 30 7  o 1.8740  0.4933 1.8607  -132.1000 -0.16  -0.10  0.01   -0.01  
1 1 1 42 30 8  o 2.2097  0.4201 2.1311  -161.1000 0.18   -0.07  0.01   -0.02  
1 1 1 42 30 9  o 2.7280  0.9292 3.0082  -69.4000  0.23   -0.61  0.04   -0.00  
1 1 1 42 30 10 o 4.7777  0.3393 6.0369  137.400   -0.64  0.21   -0.02  -0.04  
1 1 1 42 30 11 o 4.1556  0.4801 4.3475  -165.5000 -0.20  0.05   0.00   -0.00  
1 1 1 42 30 12 o 7.0066  0.3290 ?       ?         0.57   1.51   -0.06  0.11   
1 1 1 42 30 13 o 5.5156  0.9900 ?       ?         0.39   0.83   -0.01  -0.01  
1 1 1 42 30 14 o 0.0000  2.3234 ?       ?         -0.32  0.60   -0.02  -0.02  
1 1 1 42 30 15 o 5.1464  0.9144 ?       ?         0.01   -0.23  -0.00  0.00   
1 1 1 42 30 16 o 3.8540  1.0016 ?       ?         -0.11  -0.37  -0.00  0.00   
1 1 1 42 30 17 o 2.0000  0.8402 ?       ?         -0.21  -0.10  0.00   0.00   
1 1 1 42 31 0  f 6.0332  0.5659 5.8843  -0.0000   0.46   0.00   0.00   0.00   
1 1 1 42 31 1  o 10.317  0.3128 10.381  55.200    0.60   1.69   -0.13  -0.15  
1 1 1 42 31 2  o 4.1419  0.5494 5.5958  -11.6000  0.61   -0.51  0.02   -0.09  
1 1 1 42 31 3  o 8.1335  0.3508 8.6352  -175.0000 0.09   0.13   -0.00  0.00   
1 1 1 42 31 4  o 6.4535  0.3860 5.6014  -173.2000 -0.44  0.01   0.02   -0.01  
1 1 1 42 31 5  o 3.7824  0.5853 3.7112  -160.3000 -0.39  -0.03  0.01   0.02   
1 1 1 42 31 6  o 3.4790  0.9579 4.3313  -159.3000 -0.56  -0.24  -0.03  0.02   
1 1 1 42 31 7  o 5.3740  0.5347 4.6190  -0.3000   0.61   -0.47  -0.03  0.00   
1 1 1 42 31 8  o 3.4161  0.5884 1.8673  -49.5000  0.20   -0.29  -0.01  0.01   
1 1 1 42 31 9  o 6.2693  0.5935 6.9032  142.800   0.04   -0.05  -0.00  0.00   
1 1 1 42 31 10 o 4.0109  1.2848 2.1129  69.300    0.78   -1.26  -0.00  0.05   
1 1 1 42 31 11 o 5.0266  0.3892 5.4142  77.700    -0.45  -0.64  -0.01  0.05   
1 1 1 42 31 12 o 3.7799  0.5843 ?       ?         -0.42  0.10   0.00   -0.01  
1 1 1 42 31 13 o 6.9747  1.3436 ?       ?         2.14   1.50   0.05   -0.04  
1 1 1 42 31 14 o 1.3581  1.1945 ?       ?         0.24   0.29   -0.01  0.01   
1 1 1 42 31 15 o 0.0000  3.8471 ?       ?         0.66   0.27   0.00   0.00   
1 1 1 42 31 16 o 6.2530  0.9244 ?       ?         1.30   -1.96  0.00   0.00   
1 1 1 42 32 0  o 8.4617  0.5117 9.4848  -0.0000   0.20   0.00   0.00   0.00   
1 1 1 42 32 1  o 6.5965  0.4432 6.5088  -131.1000 -0.24  0.28   0.01   -0.00  
1 1 1 42 32 2  f 6.7513  0.3515 6.4623  87.400    0.16   0.33   0.01   0.01   
1 1 1 42 32 3  o 1.4281  0.9187 1.9875  -56.3000  -0.09  -0.32  -0.03  -0.00  
1 1 1 42 32 4  o 9.7038  0.2960 8.0403  157.500   0.16   0.75   -0.03  0.03   
1 1 1 42 32 5  o 3.5796  0.6665 3.3170  -84.2000  -0.06  0.23   -0.01  0.00   
1 1 1 42 32 6  o 3.3740  0.6483 4.5577  177.900   0.07   -0.26  -0.01  -0.01  
1 1 1 42 32 7  o 4.8300  0.5587 4.1914  -100.6000 0.83   -1.37  -0.10  0.07   
1 1 1 42 32 8  o 6.8812  1.1622 5.6357  57.500    -0.16  -0.92  -0.01  -0.01  
1 1 1 42 32 9  o 3.2771  0.6929 4.6274  -10.7000  0.59   0.16   -0.02  0.01   
1 1 1 42 32 10 o 1.5923  0.8858 1.0531  -134.4000 -0.27  -0.27  0.02   0.00   
1 1 1 42 32 11 o 3.1373  0.6902 ?       ?         -0.21  0.83   -0.04  0.01   
1 1 1 42 32 12 o 3.1094  0.8998 ?       ?         -0.48  -0.02  0.01   -0.00  
1 1 1 42 32 13 o 5.6646  0.7833 ?       ?         0.38   -0.39  -0.00  -0.00  
1 1 1 42 32 14 o 2.3238  1.4529 ?       ?         -0.32  0.40   0.00   0.00   
1 1 1 42 33 0  o 10.223  0.4314 11.069  0.0000    0.88   0.00   0.00   0.00   
1 1 1 42 33 1  o 4.6403  0.5209 4.4796  -103.5000 -0.67  -1.00  0.08   0.04   
1 1 1 42 33 2  o 7.1833  0.3867 7.2396  -122.2000 -0.04  0.72   -0.04  -0.01  
1 1 1 42 33 3  f 3.0300  0.5859 2.7466  -68.5000  -0.70  0.12   0.04   0.06   
1 1 1 42 33 4  o 4.1091  0.5602 4.4714  -23.9000  -0.08  -0.32  -0.01  0.01   
1 1 1 42 33 5  o 3.0979  1.4207 2.8084  -173.1000 -0.11  0.31   0.01   -0.01  
1 1 1 42 33 6  o 5.1645  1.0942 5.0747  -13.7000  -0.56  -0.30  -0.01  0.00   
1 1 1 42 33 7  o 0.0000  2.4922 ?       ?         -0.35  0.16   -0.00  -0.01  
1 1 1 42 33 8  o 8.0488  1.0708 7.0986  -172.8000 -0.98  -1.08  -0.02  0.01   
1 1 1 42 33 9  f 3.3353  0.4279 5.7321  -41.8000  0.50   0.32   0.03   -0.01  
1 1 1 42 33 10 o 2.3993  0.6812 3.7668  109.600   0.12   0.17   0.00   0.01   
1 1 1 42 33 11 f 3.6189  0.7684 ?       ?         -0.24  -0.33  0.00   0.00   
1 1 1 42 33 12 o 4.6260  0.9288 ?       ?         0.40   -0.03  0.00   0.00   
1 1 1 42 34 0  f 4.3818  0.6580 4.4961  -180.0000 0.55   0.00   0.00   0.00   
1 1 1 42 34 1  o 5.2963  0.5085 5.5196  -37.2000  0.22   -0.91  -0.06  -0.02  
1 1 1 42 34 2  o 2.6647  0.7569 2.2959  -143.0000 0.07   -0.18  -0.00  -0.00  
1 1 1 42 34 3  f 4.5055  0.6453 5.0544  156.200   -1.05  -0.38  0.03   -0.05  
1 1 1 42 34 4  o 4.6942  0.6289 4.2022  -83.7000  -0.19  0.88   -0.04  -0.01  
1 1 1 42 34 5  o 4.7402  0.8377 3.6871  -146.4000 -0.18  0.49   0.00   -0.01  
1 1 1 42 34 6  o 3.3191  1.5310 0.9171  142.800   -0.25  0.08   -0.00  -0.00  
1 1 1 42 34 7  o 1.5031  1.1921 3.4645  105.400   0.02   -0.06  -0.00  -0.00  
1 1 1 42 34 8  o 6.6446  0.7505 5.6610  120.300   -1.31  -0.17  0.02   -0.00  
1 1 1 42 34 9  o 4.0824  0.6868 3.2864  127.800   -0.68  1.13   -0.08  -0.01  
1 1 1 42 34 10 o 5.8224  0.4602 ?       ?         0.71   0.52   0.00   0.00   
1 1 1 42 35 0  o 0.0000  3.1937 1.4925  180.000   0.03   0.00   0.00   0.00   
1 1 1 42 35 1  o 3.3526  0.7508 3.7688  157.800   -0.24  -0.24  0.01   0.00   
1 1 1 42 35 2  o 6.9448  0.7653 6.6964  34.600    0.55   0.86   -0.02  -0.01  
1 1 1 42 35 3  o 4.8853  0.7558 5.0809  -161.8000 0.26   -0.71  0.00   -0.02  
1 1 1 42 35 4  o 8.2481  0.5321 7.6019  -70.1000  -0.02  -2.18  -0.11  0.00   
1 1 1 42 35 5  o 4.0765  0.9638 3.1196  -149.8000 0.28   -0.41  0.00   -0.01  
1 1 1 42 35 6  o 6.9361  1.8846 6.9319  2.2000    0.10   0.88   0.00   -0.01  
1 1 1 42 35 7  o 2.9566  1.0379 1.2864  -22.4000  -0.12  0.09   0.00   -0.00  
1 1 1 42 35 8  o 1.3578  1.3241 2.1779  -161.7000 0.41   0.25   0.01   0.01   
1 1 1 42 35 9  o 4.7223  1.6353 ?       ?         0.16   0.59   0.00   0.00   
1 1 1 42 36 0  o 4.7539  1.1950 5.4588  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 42 36 1  o 7.2726  1.3246 6.0153  55.000    2.35   -0.14  -0.01  0.07   
1 1 1 42 36 2  o 3.4702  0.8982 0.7360  -47.3000  -0.47  0.08   0.01   0.00   
1 1 1 42 36 3  o 3.7254  1.0225 4.5305  176.800   -0.25  -0.09  0.00   0.00   
1 1 1 42 36 4  o 4.5772  2.0228 4.0456  63.200    0.26   -0.03  0.00   0.00   
1 1 1 42 36 5  o 3.3083  1.0677 2.7271  -20.8000  -0.36  -0.61  -0.01  0.01   
1 1 1 42 36 6  o 4.6359  1.1602 5.6777  72.600    0.15   0.81   -0.00  0.01   
1 1 1 42 36 7  o 7.0339  0.5969 6.3107  110.500   0.83   0.99   -0.02  0.00   
1 1 1 42 36 8  o 0.0000  3.3554 ?       ?         0.27   0.28   0.00   0.00   
1 1 1 42 37 0  o 6.0498  0.8352 6.3679  0.0000    -0.23  0.00   0.00   0.00   
1 1 1 42 37 1  o 3.8961  1.0557 4.8267  151.300   0.38   -0.54  0.01   -0.01  
1 1 1 42 37 2  o 1.2900  1.3254 0.4015  -110.8000 -0.19  -0.56  -0.01  0.02   
1 1 1 42 37 3  o 9.0122  0.5589 8.0595  -35.1000  -0.09  -0.39  -0.00  0.00   
1 1 1 42 37 4  o 4.0121  0.8689 3.8000  93.000    0.18   0.96   -0.02  0.00   
1 1 1 42 37 5  o 5.6786  0.6946 5.9595  -65.4000  0.58   -0.51  -0.00  -0.01  
1 1 1 42 37 6  o 5.7466  1.6641 4.8632  -27.0000  1.28   -0.46  0.01   0.03   
1 1 1 42 37 7  o 5.2825  0.9545 ?       ?         0.77   -0.45  0.00   0.00   
1 1 1 42 38 0  o 4.0373  1.0810 1.9251  -180.0000 -0.71  0.00   0.00   0.00   
1 1 1 42 38 1  o 3.9337  1.7817 0.3361  -158.3000 -0.55  -0.11  0.01   -0.01  
1 1 1 42 38 2  o 4.7514  0.8203 5.2636  55.200    -0.04  -0.19  -0.00  0.00   
1 1 1 42 38 3  o 6.2049  0.7892 5.3145  91.200    0.72   0.97   -0.01  0.00   
1 1 1 42 38 4  f 5.0341  0.8255 5.2238  -24.9000  0.54   -1.26  -0.02  -0.01  
1 1 1 42 38 5  o 3.8857  0.9239 ?       ?         0.53   -0.49  0.00   -0.01  
1 1 1 42 38 6  o 6.0166  1.6302 ?       ?         -0.26  -0.32  0.00   0.00   
1 1 1 42 39 0  o 3.9875  1.3311 2.2460  -0.0000   0.46   0.00   0.00   0.00   
1 1 1 42 39 1  o 2.9823  1.0947 1.3011  -3.3000   0.74   0.01   0.01   0.00   
1 1 1 42 39 2  o 2.5210  1.1118 1.2327  -38.5000  0.00   -0.28  -0.00  0.00   
1 1 1 42 39 3  o 4.9224  0.8776 ?       ?         0.31   0.70   0.00   0.01   
1 1 1 43 0  1  o 1.5811  0.6951 4.1410  45.200    0.00   0.00   0.00   0.00   
1 1 1 43 0  2  o 19.688  0.1837 20.189  180.000   -0.48  0.00   0.00   0.00   
1 1 1 43 0  3  o 0.0000  1.8974 0.5168  -46.8000  0.00   -0.00  0.00   0.00   
1 1 1 43 0  4  o 8.2885  0.2630 6.5984  90.000    -0.00  -0.34  0.00   0.00   
1 1 1 43 0  5  o 15.830  0.1904 12.579  -135.0000 0.00   0.00   0.00   0.00   
1 1 1 43 0  6  o 0.0000  1.9494 3.6563  0.0000    0.06   0.00   0.00   0.00   
1 1 1 43 0  7  o 5.7446  0.3674 6.2904  135.000   -0.11  0.11   0.00   0.00   
1 1 1 43 0  8  o 14.853  0.2091 12.147  -90.0000  -0.00  -0.32  0.00   0.00   
1 1 1 43 0  9  o 5.8992  0.4037 6.0499  45.000    -0.06  -0.06  0.00   0.00   
1 1 1 43 0  10 o 12.977  0.2383 16.332  180.000   -0.39  0.00   0.00   0.00   
1 1 1 43 0  11 o 0.0000  2.2583 2.0495  135.000   0.02   -0.02  0.00   0.00   
1 1 1 43 0  12 o 4.9092  0.4803 3.6375  -90.0000  0.00   0.17   0.00   0.00   
1 1 1 43 0  13 o 0.0000  2.3022 1.4398  45.000    0.02   0.02   0.00   0.00   
1 1 1 43 0  14 o 8.2037  0.3727 7.7303  180.000   -0.65  0.00   0.00   0.00   
1 1 1 43 0  15 o 0.0000  2.4083 0.0273  -45.0000  0.02   -0.02  0.00   0.00   
1 1 1 43 0  16 o 20.327  0.2742 19.420  90.000    0.00   2.34   0.00   0.00   
1 1 1 43 0  17 o 0.6325  1.0023 0.7586  45.000    0.08   0.08   0.00   0.00   
1 1 1 43 0  18 o 11.247  0.3281 ?       ?         1.02   0.00   0.00   0.00   
1 1 1 43 0  19 o 0.0000  2.5100 ?       ?         0.02   -0.02  0.00   0.00   
1 1 1 43 0  20 o 0.0000  2.5884 ?       ?         0.00   0.18   0.00   0.00   
1 1 1 43 0  21 o 4.4944  0.6373 ?       ?         -0.06  -0.06  0.00   0.00   
1 1 1 43 0  22 o 4.5387  1.5047 ?       ?         0.23   0.00   0.00   0.00   
1 1 1 43 1  0  o 6.3797  0.2776 5.8403  -0.0000   0.15   0.00   0.00   0.00   
1 1 1 43 1  1  o 8.2306  0.1656 6.7122  113.300   0.30   -0.56  -1.45  0.12   
1 1 1 43 1  2  o 4.5254  0.4417 2.6671  50.400    0.46   -0.66  0.01   0.04   
1 1 1 43 1  3  o 10.789  0.1467 12.065  160.400   -0.68  0.60   -1.30  -2.13  
1 1 1 43 1  4  f 11.950  0.2810 14.726  60.900    -2.82  5.41   0.61   2.54   
1 1 1 43 1  5  o 5.2714  0.2595 4.3660  -77.3000  0.51   -1.05  0.07   0.21   
1 1 1 43 1  6  o 7.8880  0.2746 7.3441  -79.5000  1.05   -0.97  -0.10  0.19   
1 1 1 43 1  7  o 13.802  0.1585 14.939  102.300   -0.82  0.09   -0.10  -0.10  
1 1 1 43 1  8  o 2.9373  0.8758 3.4613  -153.9000 0.47   -0.72  0.01   0.06   
1 1 1 43 1  9  o 7.3212  0.2548 8.4043  73.200    -0.40  0.71   -0.19  0.25   
1 1 1 43 1  10 o 13.841  0.2542 14.794  169.800   -1.17  2.77   0.11   0.78   
1 1 1 43 1  11 o 12.460  0.1785 11.055  -127.5000 0.68   -0.67  -0.01  -0.72  
1 1 1 43 1  12 o 7.7617  0.2476 7.2769  -163.5000 -1.01  -0.67  0.83   0.51   
1 1 1 43 1  13 f 5.2420  0.3502 5.0672  -25.5000  0.28   0.02   -0.01  -0.01  
1 1 1 43 1  14 o 10.690  0.2106 9.4749  75.200    -0.34  -0.77  -0.14  0.12   
1 1 1 43 1  15 o 5.8153  0.3504 4.0505  -78.6000  0.46   0.58   -0.13  0.00   
1 1 1 43 1  16 o 8.8937  0.3587 8.0616  -61.0000  0.99   -0.69  -0.10  -0.00  
1 1 1 43 1  17 o 4.6414  0.5872 4.2270  178.800   0.37   0.29   -0.01  -0.00  
1 1 1 43 1  18 o 7.3082  0.3145 ?       ?         -0.30  0.60   -0.04  -0.01  
1 1 1 43 1  19 o 5.3615  0.9138 ?       ?         -0.91  0.34   0.01   0.02   
1 1 1 43 1  20 o 3.5916  0.7826 ?       ?         0.98   0.48   0.06   -0.03  
1 1 1 43 1  21 o 2.6391  0.6533 ?       ?         0.12   -0.07  0.00   -0.00  
1 1 1 43 1  22 o 4.1674  1.0281 ?       ?         0.95   0.32   0.00   0.00   
1 1 1 43 2  0  f 2.8810  0.5215 3.8386  -179.9000 -0.04  0.00   0.00   0.00   
1 1 1 43 2  1  o 6.1699  0.2392 6.5625  116.400   1.71   0.65   -0.23  -0.38  
1 1 1 43 2  2  o 6.6051  0.2747 8.8636  105.600   -1.60  1.77   -0.07  0.52   
1 1 1 43 2  3  o 6.3955  0.2073 7.1767  14.000    -0.21  0.05   0.09   0.14   
1 1 1 43 2  4  o 8.8388  0.1624 9.4394  -134.6000 -2.20  0.59   -0.64  1.29   
1 1 1 43 2  5  o 4.3855  0.2872 4.7054  -149.4000 -0.30  -0.19  0.01   -0.07  
1 1 1 43 2  6  o 3.3075  0.4764 4.2684  -179.2000 0.09   -0.21  0.00   0.00   
1 1 1 43 2  7  o 9.6992  0.1817 10.569  29.000    1.58   0.03   -0.42  0.38   
1 1 1 43 2  8  o 4.5165  0.3340 5.3044  -51.0000  0.62   0.62   0.16   -0.20  
1 1 1 43 2  9  o 1.4566  0.6773 1.2322  130.800   0.11   0.05   0.03   -0.03  
1 1 1 43 2  10 o 0.0000  1.5572 ?       ?         0.13   -0.06  -0.03  0.01   
1 1 1 43 2  11 o 9.4963  0.2135 11.806  66.200    -0.28  1.07   -0.06  0.41   
1 1 1 43 2  12 o 3.6545  0.4474 3.7823  9.2000    -0.02  0.37   -0.02  0.07   
1 1 1 43 2  13 f 3.7949  0.4557 4.1027  92.300    -0.05  0.59   0.05   -0.07  
1 1 1 43 2  14 o 3.3267  0.5015 2.9941  78.400    0.24   -0.15  0.04   -0.02  
1 1 1 43 2  15 o 0.0000  1.7248 ?       ?         0.05   0.05   0.01   0.00   
1 1 1 43 2  16 o 3.8285  0.7064 3.4446  151.400   -0.63  -0.02  -0.02  -0.03  
1 1 1 43 2  17 f 6.3896  0.3552 7.2844  -176.8000 -0.23  0.62   0.02   -0.04  
1 1 1 43 2  18 o 3.0474  0.5777 ?       ?         -0.13  -0.34  -0.02  0.01   
1 1 1 43 2  19 o 4.1416  0.4898 ?       ?         -0.55  -0.79  0.03   0.06   
1 1 1 43 2  20 o 3.3025  0.6464 ?       ?         -0.40  0.32   -0.01  -0.01  
1 1 1 43 2  21 o 2.4593  0.7251 ?       ?         0.68   -0.67  0.01   -0.10  
1 1 1 43 2  22 o 4.7571  0.9009 ?       ?         -0.01  0.11   -0.00  -0.00  
1 1 1 43 3  0  o 9.4552  0.2423 11.546  0.0000    0.49   0.00   0.00   0.00   
1 1 1 43 3  1  o 18.909  0.1397 23.057  147.300   -1.84  -0.88  0.10   -0.79  
1 1 1 43 3  2  o 7.7313  0.2359 7.5846  85.100    1.09   0.23   -0.11  -0.09  
1 1 1 43 3  3  o 7.6718  0.1792 8.0458  -30.7000  -0.66  -0.15  0.13   -0.83  
1 1 1 43 3  4  o 9.1533  0.1605 8.5375  -57.1000  -2.28  -1.28  0.17   -2.03  
1 1 1 43 3  5  o 10.194  0.3607 9.6549  97.000    -3.68  1.36   -0.40  0.58   
1 1 1 43 3  6  o 9.3500  0.2118 5.8210  30.400    -0.00  1.19   0.18   -0.12  
1 1 1 43 3  7  o 6.7030  0.4428 7.5975  -64.5000  -0.15  -1.64  0.12   -0.06  
1 1 1 43 3  8  f 9.1799  0.1891 9.6256  62.900    -0.52  0.74   -0.07  0.17   
1 1 1 43 3  9  f 6.1801  0.2662 5.3891  -82.3000  0.45   -1.31  -0.02  0.78   
1 1 1 43 3  10 o 5.3780  0.3189 5.9783  -132.0000 -0.04  -0.59  0.07   -0.09  
1 1 1 43 3  11 o 5.8812  0.2977 4.1313  136.800   -0.28  -0.12  -0.02  0.00   
1 1 1 43 3  12 o 9.4594  0.3639 10.913  73.000    2.40   3.16   0.81   -0.59  
1 1 1 43 3  13 o 5.2566  0.3482 4.8451  -116.7000 0.39   0.23   -0.06  0.03   
1 1 1 43 3  14 o 3.7614  0.4610 3.4682  3.8000    -0.28  0.06   -0.00  0.01   
1 1 1 43 3  15 o 9.3847  0.2410 8.4488  -160.6000 -1.19  -0.34  0.06   0.35   
1 1 1 43 3  16 o 4.3692  0.4785 3.6685  97.700    0.54   -0.13  -0.02  -0.02  
1 1 1 43 3  17 o 3.1215  0.5721 3.7193  100.000   0.18   0.28   -0.02  -0.01  
1 1 1 43 3  18 f 5.7458  0.3812 ?       ?         0.60   1.11   -0.10  -0.05  
1 1 1 43 3  19 o 2.0494  0.7480 ?       ?         0.00   -0.00  0.00   -0.00  
1 1 1 43 3  20 o 5.1165  0.4569 ?       ?         -1.01  -0.55  0.06   0.02   
1 1 1 43 3  21 o 5.4671  2.2410 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 43 3  22 o 5.6429  0.7932 ?       ?         -0.28  -0.45  -0.00  -0.00  
1 1 1 43 4  0  o 0.9487  0.7933 5.7701  -0.0000   0.01   0.00   0.00   0.00   
1 1 1 43 4  1  o 19.707  0.2295 19.419  37.600    -0.95  4.97   1.25   1.61   
1 1 1 43 4  2  o 6.8199  0.2000 7.0713  -139.4000 -0.32  0.40   -0.07  0.14   
1 1 1 43 4  3  o 4.9634  0.7317 6.8835  149.200   0.82   1.50   0.04   -0.05  
1 1 1 43 4  4  o 16.672  0.6125 15.156  50.900    20.47  6.73   -5.80  -2.55  
1 1 1 43 4  5  o 12.959  0.1439 14.341  -139.6000 -0.26  0.14   0.07   0.04   
1 1 1 43 4  6  o 7.5804  0.1988 8.5533  164.100   -0.28  -0.21  0.03   -0.04  
1 1 1 43 4  7  o 1.0982  0.6959 2.5091  17.500    0.04   -0.01  0.00   -0.01  
1 1 1 43 4  8  o 12.557  0.4739 12.176  148.200   1.90   3.90   0.44   -0.29  
1 1 1 43 4  9  o 5.4560  0.2858 5.6271  -0.2000   0.36   0.30   0.02   -0.05  
1 1 1 43 4  10 o 14.690  0.1811 14.445  129.800   0.47   0.85   0.14   -0.02  
1 1 1 43 4  11 o 5.4174  0.3248 4.6587  135.900   0.01   0.03   -0.00  0.00   
1 1 1 43 4  12 o 5.4699  0.3346 6.8972  -49.7000  0.80   -0.17  -0.10  -0.05  
1 1 1 43 4  13 o 6.4872  0.2988 5.9026  98.100    0.08   -0.39  -0.01  0.04   
1 1 1 43 4  14 o 7.9952  0.2591 7.5784  123.500   -0.23  0.06   0.01   0.01   
1 1 1 43 4  15 o 2.8106  0.6021 4.4596  114.500   -0.39  -0.00  0.01   -0.05  
1 1 1 43 4  16 o 8.4996  0.2645 9.7853  157.200   -0.24  0.48   -0.05  -0.00  
1 1 1 43 4  17 o 6.8127  0.3172 6.5131  -42.5000  -0.14  0.14   0.00   -0.00  
1 1 1 43 4  18 o 6.9373  0.3250 ?       ?         0.45   0.22   -0.01  0.02   
1 1 1 43 4  19 o 2.8411  0.6686 ?       ?         -0.33  0.00   0.01   -0.01  
1 1 1 43 4  20 o 4.9800  0.4832 ?       ?         -0.97  -0.38  0.04   0.03   
1 1 1 43 4  21 o 6.2173  0.5242 ?       ?         -0.01  -1.35  -0.03  -0.03  
1 1 1 43 4  22 o 3.2306  1.2899 ?       ?         -0.07  0.12   -0.00  -0.00  
1 1 1 43 5  0  o 2.2361  0.5855 6.1824  179.900   -0.00  0.00   0.00   0.00   
1 1 1 43 5  1  o 3.2412  0.3353 6.5224  -166.1000 -0.72  -1.12  0.25   -0.29  
1 1 1 43 5  2  o 15.533  0.1410 15.274  129.200   -2.00  -0.45  -0.36  -0.79  
1 1 1 43 5  3  o 12.833  0.1346 12.738  179.400   0.04   -0.53  -0.04  -0.32  
1 1 1 43 5  4  o 12.113  0.2595 11.089  19.800    -0.24  4.54   1.67   -0.56  
1 1 1 43 5  5  o 7.3324  0.2650 7.3189  158.900   0.07   1.89   0.38   0.10   
1 1 1 43 5  6  o 10.051  0.1587 10.434  34.500    0.35   0.37   0.27   0.15   
1 1 1 43 5  7  o 7.0353  0.2202 8.2296  -69.0000  -0.53  0.14   -0.18  -0.18  
1 1 1 43 5  8  o 2.3311  0.5307 2.3174  128.000   0.07   -0.10  0.03   -0.02  
1 1 1 43 5  9  o 7.0121  0.2561 7.9542  71.400    0.45   -0.13  -0.03  0.00   
1 1 1 43 5  10 o 7.2840  0.2864 6.5406  -1.7000   -0.10  0.76   0.05   0.06   
1 1 1 43 5  11 o 6.3846  0.2810 6.8982  -100.0000 0.08   -0.47  -0.04  0.11   
1 1 1 43 5  12 o 11.463  0.3717 12.109  46.100    0.39   5.17   1.20   0.70   
1 1 1 43 5  13 o 6.0076  0.3126 6.2082  98.900    -0.77  -0.49  -0.18  0.01   
1 1 1 43 5  14 o 6.1713  0.3176 6.5877  110.100   0.11   0.17   -0.01  0.01   
1 1 1 43 5  15 f 4.6783  0.3944 7.1269  -86.6000  -0.22  -0.70  -0.02  -0.06  
1 1 1 43 5  16 o 4.6504  0.4140 4.9701  149.100   -0.22  0.20   0.01   -0.02  
1 1 1 43 5  17 o 3.8855  0.4996 4.3705  143.200   -0.62  -0.00  0.01   -0.05  
1 1 1 43 5  18 o 3.7974  0.5130 ?       ?         -0.13  0.12   -0.00  -0.00  
1 1 1 43 5  19 o 2.4358  0.7511 ?       ?         -0.34  0.52   -0.05  -0.02  
1 1 1 43 5  20 o 4.1747  0.5648 ?       ?         -0.87  0.21   0.03   -0.02  
1 1 1 43 5  21 o 7.6306  0.5528 ?       ?         0.86   2.31   -0.04  0.05   
1 1 1 43 5  22 o 7.0127  1.5664 ?       ?         -0.45  0.23   -0.00  -0.00  
1 1 1 43 6  0  o 2.2136  0.5752 4.4040  -0.1000   0.04   0.00   0.00   0.00   
1 1 1 43 6  1  o 10.571  0.1644 12.201  136.300   -0.26  -1.45  0.39   0.05   
1 1 1 43 6  2  o 8.5089  0.4212 9.5346  -51.2000  2.66   -3.68  0.35   0.63   
1 1 1 43 6  3  o 15.695  0.3813 16.720  25.000    4.99   -2.26  -0.39  0.94   
1 1 1 43 6  4  o 5.8393  0.2284 5.6982  -174.9000 -1.06  0.90   -0.33  0.43   
1 1 1 43 6  5  o 12.398  0.2893 13.119  -53.0000  0.37   -1.15  0.12   0.01   
1 1 1 43 6  6  o 10.543  0.4013 8.8461  -47.5000  0.05   -1.49  0.08   0.03   
1 1 1 43 6  7  f 5.8634  0.2627 4.6564  -168.7000 -0.05  -0.53  0.04   -0.23  
1 1 1 43 6  8  o 8.9763  0.1898 8.5810  -47.4000  -0.83  -0.42  0.15   -0.31  
1 1 1 43 6  9  o 8.4187  0.2150 9.3849  -155.3000 0.45   0.53   -0.05  -0.08  
1 1 1 43 6  10 o 8.5099  0.2320 6.7432  120.200   -0.05  -0.05  0.00   -0.00  
1 1 1 43 6  11 o 6.2648  0.2807 5.6416  23.900    -0.34  -0.02  0.12   -0.00  
1 1 1 43 6  12 o 3.1834  0.5187 4.7366  101.500   -0.10  0.14   -0.00  0.00   
1 1 1 43 6  13 o 2.6614  0.5710 2.8051  45.100    0.34   -0.16  -0.01  -0.11  
1 1 1 43 6  14 f 3.8350  1.1700 1.7828  3.7000    0.18   0.41   0.01   -0.00  
1 1 1 43 6  15 o 4.6045  0.4878 6.5009  84.700    -0.12  -0.29  -0.00  -0.01  
1 1 1 43 6  16 o 11.150  0.4726 11.225  -84.9000  3.76   -2.20  -0.71  0.03   
1 1 1 43 6  17 o 4.6048  0.4351 4.7120  54.900    0.03   -0.12  -0.00  -0.00  
1 1 1 43 6  18 o 0.4838  0.8285 ?       ?         0.04   0.06   -0.00  0.00   
1 1 1 43 6  19 o 6.0173  0.6735 ?       ?         -1.04  1.75   -0.11  0.08   
1 1 1 43 6  20 o 5.0978  0.5428 ?       ?         0.67   -0.53  0.01   -0.02  
1 1 1 43 6  21 o 6.9684  0.5484 ?       ?         0.34   2.06   -0.02  -0.03  
1 1 1 43 6  22 o 7.3950  1.5736 ?       ?         -0.38  0.12   -0.00  -0.00  
1 1 1 43 7  0  o 7.6746  0.2765 7.5445  -180.0000 -0.21  0.00   0.00   0.00   
1 1 1 43 7  1  o 2.6741  0.3934 2.3207  52.500    0.12   0.12   -0.12  -0.00  
1 1 1 43 7  2  o 7.0689  0.1887 7.2970  -51.6000  0.08   -0.14  0.04   -0.07  
1 1 1 43 7  3  o 6.8280  0.1944 5.9041  -87.0000  -0.59  -1.02  -1.12  -1.44  
1 1 1 43 7  4  o 12.736  0.3031 14.004  -84.6000  -2.31  -2.85  -0.14  -0.80  
1 1 1 43 7  5  o 10.338  0.1838 11.224  -62.4000  0.77   -0.31  0.39   0.31   
1 1 1 43 7  6  o 3.5990  0.7285 3.2948  103.900   -0.25  0.59   0.02   0.01   
1 1 1 43 7  7  o 5.1933  0.2898 4.2279  150.100   0.81   0.33   0.15   -0.52  
1 1 1 43 7  8  o 5.5400  0.3052 5.2339  126.800   0.09   0.70   0.07   0.02   
1 1 1 43 7  9  o 8.4159  0.2585 8.1573  104.500   0.71   -0.39  -0.00  0.08   
1 1 1 43 7  10 o 8.6720  0.2927 8.9284  19.400    -1.16  -0.53  -0.02  -0.15  
1 1 1 43 7  11 f 4.7846  0.3629 5.5697  143.700   -1.30  -0.63  0.06   -0.39  
1 1 1 43 7  12 o 13.412  0.1762 15.059  -27.2000  0.43   0.07   0.04   0.05   
1 1 1 43 7  13 o 4.4691  0.4128 4.7909  -118.8000 0.21   -0.14  -0.01  0.00   
1 1 1 43 7  14 o 4.5055  0.3829 4.3475  -4.8000   -0.06  0.27   -0.02  0.02   
1 1 1 43 7  15 o 5.0894  0.3927 4.5087  60.500    -0.01  0.31   -0.01  -0.02  
1 1 1 43 7  16 o 3.9375  0.4737 3.2623  -161.6000 0.14   0.37   -0.02  -0.02  
1 1 1 43 7  17 o 6.1622  0.3469 6.6850  55.500    0.55   -0.58  -0.06  0.01   
1 1 1 43 7  18 o 3.0146  1.3798 ?       ?         -0.17  -0.60  -0.01  -0.04  
1 1 1 43 7  19 o 7.5029  0.3544 ?       ?         0.65   -0.16  0.02   0.01   
1 1 1 43 7  20 o 4.0672  1.2478 ?       ?         0.74   0.03   -0.00  -0.02  
1 1 1 43 7  21 o 2.4930  0.9474 ?       ?         -0.37  -0.23  0.00   0.00   
1 1 1 43 7  22 o 0.6211  1.1926 ?       ?         -0.21  0.66   -0.01  -0.01  
1 1 1 43 8  0  o 3.8210  0.4429 5.2025  0.0000    -0.03  0.00   0.00   0.00   
1 1 1 43 8  1  o 11.013  0.1512 13.049  -86.8000  -2.10  -0.55  -0.44  -0.95  
1 1 1 43 8  2  o 4.1745  0.2968 4.4966  -4.4000   0.46   -1.09  0.12   0.30   
1 1 1 43 8  3  o 3.8041  0.3250 3.5891  -114.5000 -0.18  0.07   -0.00  0.01   
1 1 1 43 8  4  o 15.577  0.1359 13.954  9.5000    0.31   -1.34  0.55   -0.53  
1 1 1 43 8  5  o 20.662  0.1451 20.515  -125.8000 -1.72  -0.37  -0.26  0.56   
1 1 1 43 8  6  o 6.8769  0.7578 7.6382  -64.9000  1.97   -11.73 2.48   0.41   
1 1 1 43 8  7  o 3.9568  0.3679 6.2123  -159.3000 0.02   -0.40  0.05   0.13   
1 1 1 43 8  8  o 5.4350  0.2846 6.9394  -95.7000  1.09   -1.58  -0.31  0.90   
1 1 1 43 8  9  o 7.2520  0.5340 6.9240  68.600    0.86   3.05   0.33   -0.09  
1 1 1 43 8  10 o 4.8518  0.3293 5.6965  121.200   -0.11  -0.00  -0.00  -0.01  
1 1 1 43 8  11 o 9.2131  0.2182 6.9318  -25.9000  -0.43  -0.13  0.11   -0.03  
1 1 1 43 8  12 o 17.502  0.1579 18.916  165.300   -1.23  0.74   0.05   -0.47  
1 1 1 43 8  13 o 2.9967  0.5200 3.7634  30.600    0.10   -0.09  -0.01  0.00   
1 1 1 43 8  14 f 4.9626  0.3836 3.6821  47.600    -0.30  -0.50  0.08   0.05   
1 1 1 43 8  15 o 2.3634  0.8251 1.3433  113.000   -0.06  0.07   0.00   0.00   
1 1 1 43 8  16 f 4.6665  0.4374 3.3268  -173.0000 -0.08  0.27   -0.01  0.01   
1 1 1 43 8  17 o 6.2956  0.3789 5.9623  -47.9000  0.61   -0.61  0.05   0.01   
1 1 1 43 8  18 o 4.1439  0.4925 ?       ?         0.33   -0.39  0.02   -0.00  
1 1 1 43 8  19 f 5.7379  0.4169 ?       ?         1.11   0.20   0.05   -0.04  
1 1 1 43 8  20 o 5.2473  0.5164 ?       ?         0.75   -0.58  0.03   -0.00  
1 1 1 43 8  21 o 5.2816  0.5764 ?       ?         -1.34  0.17   0.02   0.01   
1 1 1 43 8  22 o 2.0534  1.3642 ?       ?         0.05   -0.18  -0.00  -0.00  
1 1 1 43 9  0  f 11.967  0.2013 14.971  0.0000    0.13   0.00   0.00   0.00   
1 1 1 43 9  1  o 7.7085  0.1846 8.3234  77.300    -1.21  -0.15  -0.77  0.57   
1 1 1 43 9  2  o 14.372  0.2261 15.420  -86.0000  2.57   -3.36  -0.40  1.62   
1 1 1 43 9  3  o 8.4836  0.2650 7.0932  54.000    1.55   1.80   -0.10  -0.51  
1 1 1 43 9  4  o 15.623  0.6181 12.791  -1.4000   -3.47  -3.64  -0.16  -0.47  
1 1 1 43 9  5  o 4.8506  0.2688 5.3445  149.700   -0.25  -0.06  0.01   0.17   
1 1 1 43 9  6  f 7.6418  0.3676 8.4572  5.8000    1.64   -1.81  0.18   0.36   
1 1 1 43 9  7  o 4.8843  0.6643 4.0613  44.000    0.89   1.30   0.05   -0.08  
1 1 1 43 9  8  o 2.2491  0.5341 2.8558  125.700   -0.15  -0.05  -0.00  -0.01  
1 1 1 43 9  9  o 6.1385  0.2776 8.2225  61.000    -0.55  0.83   -0.57  0.43   
1 1 1 43 9  10 o 9.6311  0.1882 10.551  156.500   -0.17  0.09   0.04   -0.02  
1 1 1 43 9  11 o 9.9096  0.2070 10.270  33.200    0.53   0.32   0.11   0.21   
1 1 1 43 9  12 o 9.3061  0.5060 9.1938  124.800   -2.33  4.30   0.81   0.36   
1 1 1 43 9  13 o 3.6127  0.4831 3.6716  171.300   -0.20  0.15   0.01   -0.03  
1 1 1 43 9  14 o 2.8408  0.7663 4.6352  -176.0000 0.22   0.01   -0.01  0.01   
1 1 1 43 9  15 o 13.899  0.1926 14.059  68.700    -0.57  1.42   -0.22  0.06   
1 1 1 43 9  16 o 11.331  0.2059 12.558  143.600   -0.07  0.38   -0.02  -0.01  
1 1 1 43 9  17 o 4.8561  0.4765 4.2873  49.300    0.39   -0.87  -0.04  0.05   
1 1 1 43 9  18 o 4.5671  0.4989 ?       ?         0.34   0.66   -0.04  0.01   
1 1 1 43 9  19 o 7.2397  0.9077 ?       ?         1.66   -2.77  -0.14  0.14   
1 1 1 43 9  20 o 3.0832  0.7705 ?       ?         0.79   0.24   0.04   0.02   
1 1 1 43 9  21 o 2.6637  1.3020 ?       ?         0.43   -0.17  0.00   -0.01  
1 1 1 43 10 0  o 11.162  0.2023 5.9208  -0.0000   -0.19  0.00   0.00   0.00   
1 1 1 43 10 1  o 13.350  0.1306 13.217  -109.0000 -0.74  -0.53  0.64   -0.24  
1 1 1 43 10 2  o 4.9583  0.3396 8.0780  -62.6000  2.11   0.37   -0.37  -0.27  
1 1 1 43 10 3  o 19.992  0.1421 20.176  -130.5000 -3.56  1.93   1.49   2.77   
1 1 1 43 10 4  o 16.642  0.5294 16.361  -140.1000 -12.35 -1.14  -3.20  0.59   
1 1 1 43 10 5  o 9.1180  0.1813 9.4388  138.400   -0.93  -0.69  0.22   -0.33  
1 1 1 43 10 6  o 16.048  0.1466 17.224  -138.9000 0.02   0.38   -0.09  -0.03  
1 1 1 43 10 7  o 9.6172  0.1742 8.7938  118.100   0.32   1.50   0.08   -0.81  
1 1 1 43 10 8  f 10.742  0.3375 11.079  9.9000    3.19   3.04   0.46   -1.05  
1 1 1 43 10 9  o 11.737  0.1902 11.473  -43.0000  2.09   0.76   -0.07  -0.77  
1 1 1 43 10 10 o 8.8793  0.3575 7.6827  -53.7000  0.75   -1.07  -0.02  0.11   
1 1 1 43 10 11 o 6.3654  0.2781 5.0811  150.100   0.44   0.12   -0.04  0.07   
1 1 1 43 10 12 o 6.2614  0.2783 5.7536  105.800   0.20   0.62   -0.11  -0.13  
1 1 1 43 10 13 o 9.4358  0.2273 9.6689  107.900   -0.75  0.82   -0.31  -0.06  
1 1 1 43 10 14 o 6.1415  0.3186 5.7049  0.9000    0.08   0.54   -0.06  0.08   
1 1 1 43 10 15 o 9.7517  0.2445 10.265  32.900    0.77   -0.16  0.06   -0.09  
1 1 1 43 10 16 o 4.9483  0.4082 5.8654  56.000    0.40   0.60   -0.10  0.02   
1 1 1 43 10 17 o 1.6422  0.8389 0.8069  -159.2000 0.17   -0.16  0.02   0.00   
1 1 1 43 10 18 f 8.5242  0.2973 ?       ?         -0.70  -0.25  0.03   0.03   
1 1 1 43 10 19 o 4.8497  0.5168 ?       ?         0.21   0.40   -0.01  -0.00  
1 1 1 43 10 20 o 5.7062  0.8033 ?       ?         -1.07  1.11   -0.06  -0.01  
1 1 1 43 10 21 o 3.1186  1.4464 ?       ?         -0.35  -0.77  -0.02  0.00   
1 1 1 43 11 0  f 5.9498  0.2959 5.8270  -0.0000   0.49   0.00   0.00   0.00   
1 1 1 43 11 1  o 6.5187  0.1961 7.9012  -88.4000  0.28   0.09   0.28   -0.10  
1 1 1 43 11 2  o 9.2968  0.1840 9.0695  -168.0000 -1.28  -1.18  -0.28  -0.43  
1 1 1 43 11 3  o 6.4070  0.3310 5.5092  -155.9000 -1.84  -0.30  -0.23  -0.19  
1 1 1 43 11 4  o 8.4697  0.2012 8.0030  69.500    0.74   0.78   -0.11  -0.17  
1 1 1 43 11 5  o 13.683  0.2810 12.052  133.800   -1.41  2.41   0.48   0.26   
1 1 1 43 11 6  o 9.8191  0.1666 8.0146  174.300   0.32   0.44   -0.20  -0.08  
1 1 1 43 11 7  o 14.554  0.1397 11.845  132.100   -0.07  -0.07  -0.00  0.01   
1 1 1 43 11 8  o 4.5963  0.3309 3.3236  -97.3000  -0.50  -0.29  0.19   -0.19  
1 1 1 43 11 9  o 4.6723  0.3240 7.1923  -1.5000   -0.39  0.63   0.31   -0.01  
1 1 1 43 11 10 o 6.6154  0.2598 6.4295  24.600    0.41   -0.67  0.14   0.02   
1 1 1 43 11 11 o 2.9365  1.3117 1.7088  12.500    0.21   0.43   0.01   -0.02  
1 1 1 43 11 12 o 6.0523  0.3234 6.6012  160.100   0.13   -0.70  0.02   0.06   
1 1 1 43 11 13 o 3.8922  0.6160 4.0408  73.700    0.04   1.71   0.18   0.16   
1 1 1 43 11 14 o 8.0495  0.3151 8.7600  13.300    1.07   -0.35  -0.10  -0.06  
1 1 1 43 11 15 o 1.3961  0.8651 1.9904  -57.0000  0.06   -0.35  0.02   -0.06  
1 1 1 43 11 16 f 8.0480  0.2740 8.7869  8.7000    0.26   0.09   0.01   0.01   
1 1 1 43 11 17 f 11.904  0.2273 12.679  38.700    1.38   0.63   -0.05  0.15   
1 1 1 43 11 18 o 2.9577  0.6805 ?       ?         -0.22  0.52   -0.03  -0.03  
1 1 1 43 11 19 o 4.2128  1.0954 ?       ?         -0.09  -1.20  0.01   -0.06  
1 1 1 43 11 20 o 5.4235  0.5738 ?       ?         0.41   -0.05  0.01   -0.00  
1 1 1 43 11 21 o 2.4162  0.9459 ?       ?         0.42   -0.04  0.01   -0.00  
1 1 1 43 12 0  o 11.666  0.1856 14.346  180.000   0.07   0.00   0.00   0.00   
1 1 1 43 12 1  o 3.1117  0.3411 5.0487  19.500    0.14   -0.41  0.22   -0.12  
1 1 1 43 12 2  o 9.1386  0.1564 7.0177  -161.0000 0.13   0.69   0.19   0.19   
1 1 1 43 12 3  o 4.6724  0.2748 5.5984  162.500   -0.27  0.09   0.02   0.08   
1 1 1 43 12 4  o 7.0105  0.2043 5.5030  44.900    -0.05  0.37   -0.32  -0.05  
1 1 1 43 12 5  o 5.1047  0.3088 3.7846  8.6000    1.49   0.29   -0.20  -0.20  
1 1 1 43 12 6  o 12.106  0.1391 11.685  61.300    0.27   0.37   -0.19  0.14   
1 1 1 43 12 7  o 5.3742  0.2539 4.7040  -123.5000 0.12   -0.02  0.03   0.01   
1 1 1 43 12 8  f 2.7937  0.4929 4.1705  42.100    0.12   0.11   0.00   -0.01  
1 1 1 43 12 9  o 9.2866  0.2057 11.654  -135.8000 -0.91  -0.47  0.61   -0.27  
1 1 1 43 12 10 f 9.0205  0.2113 6.2570  -162.0000 0.19   -0.19  -0.02  0.00   
1 1 1 43 12 11 o 4.4733  0.9436 5.8407  -81.7000  0.29   -0.14  -0.00  0.00   
1 1 1 43 12 12 o 12.768  0.2679 11.393  -1.7000   3.21   -0.35  -0.53  -0.65  
1 1 1 43 12 13 o 8.4787  0.2827 8.2063  1.2000    0.34   0.91   -0.03  -0.09  
1 1 1 43 12 14 o 7.7431  0.2671 7.1248  130.700   -0.32  0.02   0.03   -0.01  
1 1 1 43 12 15 o 6.4384  0.3348 6.2520  -95.3000  0.49   -0.03  0.06   -0.01  
1 1 1 43 12 16 o 3.0026  0.5889 3.7028  0.5000    0.19   0.48   -0.05  -0.02  
1 1 1 43 12 17 o 3.7647  0.7512 ?       ?         0.10   -0.15  0.00   -0.00  
1 1 1 43 12 18 o 10.668  0.2794 ?       ?         1.50   -0.07  0.06   0.08   
1 1 1 43 12 19 f 11.075  0.2973 ?       ?         -1.55  -0.89  0.03   0.06   
1 1 1 43 12 20 o 9.6841  0.3997 ?       ?         -1.07  1.34   0.01   -0.05  
1 1 1 43 12 21 o 0.0000  2.2169 ?       ?         0.45   -0.23  0.01   -0.02  
1 1 1 43 13 0  o 6.0581  0.3060 9.0563  -0.0000   -0.07  0.00   0.00   0.00   
1 1 1 43 13 1  o 6.9060  0.1881 7.5855  155.500   -0.14  0.39   0.11   -0.05  
1 1 1 43 13 2  o 5.6583  0.2286 4.2271  54.500    -0.02  -0.16  -0.07  -0.02  
1 1 1 43 13 3  o 10.548  0.2806 10.138  -47.6000  -0.51  -1.37  0.06   -0.16  
1 1 1 43 13 4  o 7.4229  0.1869 8.5409  140.200   -1.45  0.49   -0.58  -0.01  
1 1 1 43 13 5  o 8.7836  0.1691 10.915  -84.9000  -0.14  -0.33  -0.20  0.00   
1 1 1 43 13 6  o 6.6155  0.2108 7.2024  -91.5000  -0.04  0.15   0.00   0.01   
1 1 1 43 13 7  o 6.0572  0.2440 3.9006  169.200   0.07   0.98   0.13   -0.66  
1 1 1 43 13 8  o 6.2577  0.2465 8.3612  25.800    0.59   -0.26  0.01   0.14   
1 1 1 43 13 9  o 13.713  0.1599 13.058  -133.9000 -0.23  -0.94  -0.12  -0.26  
1 1 1 43 13 10 o 7.1413  0.2490 7.5511  -120.4000 0.15   0.03   0.01   -0.01  
1 1 1 43 13 11 o 6.6877  0.2627 6.6108  -10.2000  -0.44  -0.98  -0.04  -0.18  
1 1 1 43 13 12 o 4.9323  0.3518 5.8319  172.100   0.22   -0.46  0.06   -0.07  
1 1 1 43 13 13 o 5.4212  0.4134 5.8970  -79.6000  0.33   -0.30  -0.02  0.01   
1 1 1 43 13 14 o 9.0974  0.2981 9.0783  -135.6000 -0.95  0.09   -0.01  0.07   
1 1 1 43 13 15 o 2.3920  0.8690 2.2509  61.100    -0.26  -0.47  -0.03  -0.05  
1 1 1 43 13 16 o 6.5335  0.5447 7.6793  -82.5000  0.71   -0.79  -0.04  0.03   
1 1 1 43 13 17 o 7.4897  0.3295 ?       ?         0.26   1.25   -0.10  -0.04  
1 1 1 43 13 18 o 4.7986  0.5104 ?       ?         -0.37  0.41   -0.01  -0.01  
1 1 1 43 13 19 o 7.8092  0.4179 ?       ?         0.09   0.35   -0.00  0.00   
1 1 1 43 13 20 o 4.7474  0.6814 ?       ?         -0.49  -0.29  0.01   0.00   
1 1 1 43 13 21 o 3.6091  1.6526 ?       ?         0.01   0.21   -0.00  0.00   
1 1 1 43 14 0  o 3.5071  0.4402 1.1253  179.900   -0.03  0.00   0.00   0.00   
1 1 1 43 14 1  o 2.4557  0.3956 2.4486  19.300    -0.65  -0.70  -0.25  -0.41  
1 1 1 43 14 2  o 5.6607  0.2233 4.3755  -3.1000   -0.06  -0.06  0.01   -0.00  
1 1 1 43 14 3  o 4.8142  0.2585 3.4183  147.400   0.60   1.69   0.55   -0.12  
1 1 1 43 14 4  o 7.2717  0.1859 6.6044  -18.1000  0.87   0.21   -0.30  0.12   
1 1 1 43 14 5  o 7.2751  0.1999 8.0804  23.200    -0.54  2.27   0.55   1.26   
1 1 1 43 14 6  o 5.8624  0.3769 7.3979  150.100   -0.59  -0.56  -0.01  -0.04  
1 1 1 43 14 7  o 6.3868  0.2574 6.1658  4.3000    0.08   1.04   0.14   0.05   
1 1 1 43 14 8  o 10.031  0.1828 12.607  40.000    -1.34  0.29   -0.37  -0.25  
1 1 1 43 14 9  o 2.8126  0.5029 3.5276  52.900    0.35   0.39   -0.02  -0.05  
1 1 1 43 14 10 f 6.3651  0.2791 8.7353  -140.2000 -0.70  -0.24  0.24   -0.14  
1 1 1 43 14 11 o 6.0593  0.5151 6.2354  91.000    0.60   -1.37  0.02   0.10   
1 1 1 43 14 12 o 5.5816  0.3751 5.3701  -122.3000 0.84   0.12   -0.06  0.04   
1 1 1 43 14 13 o 12.018  0.4658 10.549  -3.8000   1.66   0.37   -0.03  -0.10  
1 1 1 43 14 14 o 3.3470  0.5064 4.1653  -148.7000 0.16   -0.18  -0.01  -0.02  
1 1 1 43 14 15 o 9.2468  0.2516 9.3164  125.700   -0.99  -0.21  0.14   0.03   
1 1 1 43 14 16 o 4.4823  0.7177 4.3850  -25.6000  1.06   -0.91  -0.08  0.04   
1 1 1 43 14 17 o 1.9038  0.9404 ?       ?         -0.34  0.02   0.01   0.02   
1 1 1 43 14 18 f 2.8699  0.7237 ?       ?         0.12   0.16   -0.00  0.00   
1 1 1 43 14 19 o 5.4895  0.5353 ?       ?         -0.55  0.95   0.01   -0.02  
1 1 1 43 14 20 o 2.8202  0.8957 ?       ?         0.10   0.34   -0.00  0.00   
1 1 1 43 14 21 o 2.2500  1.1315 ?       ?         0.06   0.55   -0.01  -0.00  
1 1 1 43 15 0  o 12.744  0.1932 10.023  0.0000    -0.65  0.00   0.00   0.00   
1 1 1 43 15 1  o 2.0813  0.4646 2.2958  66.800    0.52   -0.11  -0.07  0.10   
1 1 1 43 15 2  o 4.9099  0.2469 5.4521  -128.8000 -0.43  -0.34  -0.23  -0.07  
1 1 1 43 15 3  o 7.5641  0.1815 6.8320  27.800    0.73   -0.26  0.25   -1.17  
1 1 1 43 15 4  o 13.176  0.2145 14.279  -154.7000 1.50   -2.13  -0.22  0.68   
1 1 1 43 15 5  o 10.806  0.1607 12.333  39.200    -0.25  1.26   -0.23  0.77   
1 1 1 43 15 6  o 8.1999  0.1801 8.4544  -141.3000 -1.66  0.11   -0.44  0.62   
1 1 1 43 15 7  o 10.956  0.1527 12.121  -5.8000   0.28   0.34   0.14   0.06   
1 1 1 43 15 8  o 14.506  0.2479 15.816  -9.8000   2.24   3.70   1.49   -0.45  
1 1 1 43 15 9  o 4.9455  0.3053 3.7702  -108.6000 -0.31  -0.26  -0.11  0.13   
1 1 1 43 15 10 o 14.682  0.1601 15.238  -15.5000  0.23   1.22   -0.40  0.23   
1 1 1 43 15 11 o 5.1798  0.3915 3.0176  -72.4000  0.40   -1.05  0.00   0.13   
1 1 1 43 15 12 o 4.0218  0.4029 4.0536  1.3000    0.30   -0.18  0.02   0.02   
1 1 1 43 15 13 o 2.8776  0.5231 2.4279  -56.0000  0.01   -0.20  0.00   -0.01  
1 1 1 43 15 14 o 1.8391  0.7210 0.5339  76.000    0.05   -0.08  0.00   -0.00  
1 1 1 43 15 15 f 6.7642  0.2902 7.3123  81.400    -0.04  0.03   0.00   -0.00  
1 1 1 43 15 16 o 5.4467  0.4036 6.0454  89.900    0.28   0.14   0.01   0.01   
1 1 1 43 15 17 o 2.3047  0.7656 ?       ?         0.04   0.37   -0.02  -0.00  
1 1 1 43 15 18 o 4.4045  0.5770 ?       ?         0.42   0.09   0.01   0.00   
1 1 1 43 15 19 o 3.4464  0.7286 ?       ?         0.12   0.08   0.00   0.00   
1 1 1 43 15 20 o 6.1310  0.5511 ?       ?         -3.24  -0.57  0.10   0.03   
1 1 1 43 15 21 o 4.0799  0.7494 ?       ?         -1.07  0.34   0.00   -0.01  
1 1 1 43 16 0  o 4.9193  0.3236 2.6018  180.000   0.28   0.00   0.00   0.00   
1 1 1 43 16 1  o 8.8670  0.1619 9.1809  41.300    1.28   1.29   -0.58  -0.61  
1 1 1 43 16 2  o 12.846  0.1397 11.250  -47.8000  -0.73  0.03   0.51   0.13   
1 1 1 43 16 3  o 6.1623  0.2146 5.4622  23.900    0.42   -0.21  0.08   0.15   
1 1 1 43 16 4  o 13.323  0.2420 13.554  72.400    2.44   2.59   -0.58  -0.87  
1 1 1 43 16 5  o 6.6417  0.3314 5.6596  -168.5000 -1.30  0.16   -0.13  -0.02  
1 1 1 43 16 6  o 5.5313  0.5669 4.0213  80.100    2.23   5.37   0.84   -0.55  
1 1 1 43 16 7  o 6.9604  0.2027 7.6969  46.000    0.03   0.82   0.09   -0.07  
1 1 1 43 16 8  o 7.5509  0.2126 6.2118  177.500   -0.29  0.28   0.09   0.02   
1 1 1 43 16 9  o 3.3159  0.4135 3.6541  156.600   0.53   -0.04  -0.02  -0.20  
1 1 1 43 16 10 f 9.1151  0.2092 9.7763  -166.1000 -0.80  0.04   0.10   0.21   
1 1 1 43 16 11 o 13.525  0.1712 13.805  -105.2000 -0.45  -1.89  -0.45  0.78   
1 1 1 43 16 12 o 7.6939  0.2496 7.5592  48.100    0.44   0.36   -0.00  0.11   
1 1 1 43 16 13 o 8.6214  0.2465 9.0165  -103.1000 -0.37  -1.24  -0.40  0.11   
1 1 1 43 16 14 o 2.2565  0.6816 1.5125  69.700    -0.44  0.02   -0.02  -0.05  
1 1 1 43 16 15 o 2.9440  0.6241 2.8846  34.700    0.34   0.26   -0.03  0.01   
1 1 1 43 16 16 o 5.6950  0.3732 4.5972  -39.4000  0.37   -0.57  -0.04  0.01   
1 1 1 43 16 17 o 6.9710  0.3909 ?       ?         0.10   0.68   -0.02  -0.01  
1 1 1 43 16 18 o 7.6697  0.3834 ?       ?         1.72   0.29   0.10   -0.02  
1 1 1 43 16 19 o 3.8825  0.7577 ?       ?         0.25   0.19   0.00   0.00   
1 1 1 43 16 20 f 3.4415  0.8053 ?       ?         0.38   -0.13  0.00   -0.00  
1 1 1 43 16 21 o 2.7435  1.2977 ?       ?         -0.21  -0.25  0.00   0.00   
1 1 1 43 17 0  o 2.4495  0.5405 3.7766  0.0000    0.04   0.00   0.00   0.00   
1 1 1 43 17 1  o 6.4953  0.2271 7.5942  -99.3000  -0.61  -2.11  0.66   -0.08  
1 1 1 43 17 2  o 12.129  0.2287 11.576  -157.8000 -1.91  0.88   -0.38  0.12   
1 1 1 43 17 3  o 4.6848  0.2586 6.7011  -90.7000  0.60   -0.76  -0.06  0.18   
1 1 1 43 17 4  o 3.5755  0.3957 3.9662  -171.7000 0.13   0.03   -0.00  -0.00  
1 1 1 43 17 5  o 4.2522  0.2945 3.6477  -14.8000  0.18   0.05   -0.03  0.04   
1 1 1 43 17 6  o 8.8521  0.3809 9.1278  -52.9000  3.28   -1.14  -0.54  0.17   
1 1 1 43 17 7  o 7.7612  0.3173 8.3873  -155.7000 -0.49  -0.97  0.01   -0.09  
1 1 1 43 17 8  o 11.414  0.1629 12.162  -60.6000  0.91   -0.96  0.54   -0.43  
1 1 1 43 17 9  o 8.9432  0.3913 9.1440  162.700   -1.36  1.02   -0.11  0.09   
1 1 1 43 17 10 o 3.1515  0.4573 2.4063  150.500   0.07   0.01   0.00   0.00   
1 1 1 43 17 11 f 7.6555  0.3363 7.9069  -99.7000  -1.38  -1.10  -0.22  -0.11  
1 1 1 43 17 12 o 7.8006  0.2570 8.2013  168.900   -0.45  0.53   -0.03  -0.15  
1 1 1 43 17 13 o 3.1950  0.5178 3.5439  127.000   -0.27  0.02   0.00   0.02   
1 1 1 43 17 14 o 1.6824  0.7049 3.1831  -8.1000   0.05   -0.08  -0.00  -0.01  
1 1 1 43 17 15 o 4.6452  0.4230 5.1330  -113.5000 -0.51  0.39   -0.03  -0.05  
1 1 1 43 17 16 o 4.3265  0.5114 ?       ?         0.03   0.33   -0.01  -0.01  
1 1 1 43 17 17 o 3.2504  0.6457 ?       ?         0.01   -0.52  -0.02  0.02   
1 1 1 43 17 18 o 0.0000  2.1059 ?       ?         0.01   -0.04  -0.00  -0.00  
1 1 1 43 17 19 o 2.5922  0.9903 ?       ?         -0.33  -0.06  0.01   -0.00  
1 1 1 43 17 20 o 2.1557  1.0032 ?       ?         0.32   0.23   0.00   0.00   
1 1 1 43 18 0  o 4.5056  0.3300 8.5074  0.0000    0.15   0.00   0.00   0.00   
1 1 1 43 18 1  o 5.7831  0.1965 3.8528  180.000   -0.48  0.36   0.73   -0.44  
1 1 1 43 18 2  o 10.101  0.1394 10.906  -54.7000  0.82   0.27   0.73   -0.27  
1 1 1 43 18 3  o 8.2552  0.1569 5.8864  159.400   -1.11  0.03   2.16   -0.30  
1 1 1 43 18 4  o 11.228  0.1472 9.8181  -28.7000  -1.08  -1.14  -0.37  -0.35  
1 1 1 43 18 5  o 6.3828  0.2173 4.0333  -65.5000  -0.23  -1.28  0.62   0.40   
1 1 1 43 18 6  o 14.242  0.1368 14.902  127.700   -2.90  -0.77  0.91   -2.24  
1 1 1 43 18 7  o 8.8779  0.1854 8.4018  -87.7000  0.00   -0.81  0.08   -0.08  
1 1 1 43 18 8  o 14.917  0.1553 14.744  52.100    0.55   -0.21  -0.03  -0.05  
1 1 1 43 18 9  o 6.3226  0.3730 5.5737  -0.6000   1.27   2.61   0.65   -0.16  
1 1 1 43 18 10 o 3.7950  0.3969 4.3263  115.700   0.02   -0.10  -0.00  -0.01  
1 1 1 43 18 11 o 4.8591  0.3532 4.1477  -133.2000 -0.74  0.41   0.08   0.10   
1 1 1 43 18 12 o 7.4852  0.2538 7.2275  147.600   -0.81  0.70   0.22   -0.23  
1 1 1 43 18 13 o 5.4474  0.3239 5.3967  -50.0000  1.06   0.44   0.17   -0.15  
1 1 1 43 18 14 o 3.4768  0.5025 2.9133  -126.2000 0.17   0.32   -0.02  0.02   
1 1 1 43 18 15 f 5.7234  0.4973 5.6727  19.300    0.39   0.78   0.04   0.02   
1 1 1 43 18 16 o 5.3503  0.4070 ?       ?         0.05   0.38   -0.01  -0.00  
1 1 1 43 18 17 o 2.2819  0.7986 ?       ?         -0.17  0.14   0.00   -0.00  
1 1 1 43 18 18 o 8.3727  0.3970 ?       ?         -0.40  -1.63  -0.05  0.02   
1 1 1 43 18 19 o 4.5706  0.6593 ?       ?         0.03   -0.25  -0.00  0.00   
1 1 1 43 18 20 o 8.4068  0.4487 ?       ?         1.16   0.68   0.01   0.01   
1 1 1 43 19 0  o 5.7446  0.2500 5.8284  -0.0000   0.69   0.00   0.00   0.00   
1 1 1 43 19 1  o 6.2750  0.1828 4.8612  -48.8000  0.24   -0.22  -0.09  -0.22  
1 1 1 43 19 2  o 6.2674  0.2273 7.3898  119.900   -0.14  0.01   -0.00  -0.00  
1 1 1 43 19 3  o 12.884  0.1274 14.728  -94.1000  -1.49  -0.74  -1.00  0.47   
1 1 1 43 19 4  o 4.4361  0.2528 4.2658  112.000   -0.20  0.15   0.03   0.04   
1 1 1 43 19 5  o 4.1809  0.2949 4.7013  -63.2000  -0.27  -0.12  -0.08  0.13   
1 1 1 43 19 6  o 4.2090  0.5298 2.1169  147.600   -0.52  0.57   -0.01  0.03   
1 1 1 43 19 7  o 2.1999  0.4683 0.9789  -62.1000  0.20   -0.19  0.07   0.02   
1 1 1 43 19 8  o 10.523  0.1724 10.572  159.200   -2.54  -0.70  1.68   -1.43  
1 1 1 43 19 9  o 7.4723  0.2323 6.0358  -15.5000  -0.42  0.48   0.05   -0.20  
1 1 1 43 19 10 o 4.5073  0.3384 4.5060  -151.2000 0.26   0.03   0.00   -0.02  
1 1 1 43 19 11 o 5.3223  0.3229 5.8665  55.800    0.97   0.86   -0.33  0.02   
1 1 1 43 19 12 o 6.9086  0.2609 8.8590  104.700   -0.04  0.21   -0.00  0.01   
1 1 1 43 19 13 o 7.5923  0.2483 7.2881  64.600    0.04   0.56   -0.02  0.05   
1 1 1 43 19 14 f 3.3270  0.5302 0.6676  153.700   -0.03  0.01   0.00   0.00   
1 1 1 43 19 15 o 2.5618  1.1782 1.4938  139.900   -0.06  0.20   0.00   0.00   
1 1 1 43 19 16 o 5.1074  0.8170 ?       ?         -0.60  1.15   0.05   -0.01  
1 1 1 43 19 17 o 3.1658  0.9733 ?       ?         -0.14  -0.25  -0.01  -0.00  
1 1 1 43 19 18 o 7.2518  0.7982 ?       ?         -0.33  0.27   -0.00  -0.00  
1 1 1 43 19 19 o 0.0000  2.1737 ?       ?         0.02   -0.17  -0.00  -0.00  
1 1 1 43 19 20 f 3.7293  0.7814 ?       ?         0.79   -0.24  0.01   -0.00  
1 1 1 43 20 0  o 2.3238  0.7132 1.9182  180.000   -0.06  0.00   0.00   0.00   
1 1 1 43 20 1  o 8.2382  0.2118 7.3937  100.300   1.05   0.46   0.03   -0.28  
1 1 1 43 20 2  f 8.6164  0.1671 8.6954  1.1000    0.03   0.03   0.00   -0.00  
1 1 1 43 20 3  o 12.652  0.1376 11.564  -12.0000  0.41   -0.07  0.00   0.05   
1 1 1 43 20 4  o 2.3721  0.3857 1.5208  171.100   0.14   0.00   -0.01  0.03   
1 1 1 43 20 5  o 12.166  0.1368 12.321  -47.9000  0.25   -1.05  -0.82  0.16   
1 1 1 43 20 6  o 9.7149  0.1958 11.865  -139.7000 -0.37  -0.91  0.14   0.04   
1 1 1 43 20 7  o 2.0727  1.0093 1.9881  -135.8000 -0.12  -0.09  0.00   -0.00  
1 1 1 43 20 8  o 7.6574  0.5045 7.5727  137.900   -5.84  -2.15  -1.17  -0.34  
1 1 1 43 20 9  f 4.7488  0.3010 4.6672  133.000   0.50   0.98   -0.11  -0.24  
1 1 1 43 20 10 o 5.1806  0.3228 6.1045  38.600    0.49   -0.09  0.05   -0.10  
1 1 1 43 20 11 o 5.0674  0.3267 6.1109  83.300    -0.53  1.03   -0.08  0.15   
1 1 1 43 20 12 o 1.7296  0.6618 2.1208  65.900    0.10   -0.17  0.01   -0.01  
1 1 1 43 20 13 o 3.7925  0.4423 3.5061  64.500    0.28   0.25   -0.02  0.01   
1 1 1 43 20 14 f 7.0625  0.3369 8.5882  -82.6000  -0.10  -0.60  0.01   0.03   
1 1 1 43 20 15 o 3.1864  0.6101 1.7841  21.400    0.56   0.30   0.05   -0.01  
1 1 1 43 20 16 f 7.7859  0.3138 ?       ?         -0.62  3.38   -0.68  0.25   
1 1 1 43 20 17 o 5.3389  0.5457 ?       ?         1.69   0.33   0.07   -0.06  
1 1 1 43 20 18 o 7.5720  0.4382 ?       ?         -0.61  0.76   0.01   -0.02  
1 1 1 43 20 19 f 2.0190  1.0604 ?       ?         0.22   -0.09  0.00   -0.00  
1 1 1 43 20 20 o 4.0620  0.8149 ?       ?         -0.57  0.16   0.00   -0.00  
1 1 1 43 21 0  o 3.8471  0.5419 4.5015  -0.0000   0.10   0.00   0.00   0.00   
1 1 1 43 21 1  o 4.5784  0.3131 2.9315  -15.4000  -0.30  0.25   0.02   0.03   
1 1 1 43 21 2  o 5.3184  0.3468 5.9770  120.200   0.43   1.07   0.05   -0.13  
1 1 1 43 21 3  o 11.496  0.1751 12.642  -110.6000 0.02   -0.47  -0.02  0.08   
1 1 1 43 21 4  o 6.7040  0.1918 5.8978  -126.2000 -0.49  0.52   -0.39  0.05   
1 1 1 43 21 5  o 5.2916  0.2068 6.2497  -100.0000 -1.75  0.77   -0.08  0.89   
1 1 1 43 21 6  o 6.5969  0.1957 5.8962  -4.1000   0.31   -0.08  0.04   0.05   
1 1 1 43 21 7  o 15.852  0.3652 14.379  93.600    1.26   6.12   0.50   -1.24  
1 1 1 43 21 8  o 5.5045  0.2376 7.0816  24.300    -0.31  -0.13  0.07   0.07   
1 1 1 43 21 9  o 3.7032  0.7492 5.2460  94.400    -0.35  0.16   -0.01  0.00   
1 1 1 43 21 10 o 8.5822  0.5789 10.526  -41.7000  2.07   0.21   -0.08  -0.08  
1 1 1 43 21 11 o 2.9196  0.5265 1.8024  99.200    0.16   0.08   -0.01  0.00   
1 1 1 43 21 12 o 9.9989  0.4339 10.426  -90.3000  2.56   -0.32  -0.19  -0.16  
1 1 1 43 21 13 f 2.3943  1.1051 2.9843  89.900    0.10   -0.09  0.00   0.00   
1 1 1 43 21 14 o 3.0571  0.5383 3.1798  -58.2000  0.20   -0.21  0.01   -0.00  
1 1 1 43 21 15 o 8.5621  0.2991 ?       ?         2.85   -0.24  0.25   -0.31  
1 1 1 43 21 16 o 3.4496  0.6088 ?       ?         -0.34  0.08   0.01   -0.00  
1 1 1 43 21 17 o 4.2440  0.9273 ?       ?         0.41   0.73   0.02   0.02   
1 1 1 43 21 18 o 2.6504  1.2420 ?       ?         -0.03  0.31   -0.00  -0.01  
1 1 1 43 21 19 o 2.3496  1.1502 ?       ?         -0.22  -0.05  0.00   0.00   
1 1 1 43 21 20 f 0.6036  1.0950 ?       ?         0.69   -0.04  0.01   -0.00  
1 1 1 43 22 0  f 10.663  0.2429 9.9096  -0.0000   -0.56  0.00   0.00   0.00   
1 1 1 43 22 1  o 6.4549  0.4423 4.1350  34.600    3.33   1.80   -0.12  -0.73  
1 1 1 43 22 2  o 5.0611  0.2930 3.2481  -102.9000 -0.12  -0.07  -0.00  0.02   
1 1 1 43 22 3  o 9.2672  0.1925 7.2572  -154.9000 0.11   -1.61  0.23   0.33   
1 1 1 43 22 4  o 7.2652  0.1935 6.7107  -119.4000 0.47   0.34   0.03   -0.06  
1 1 1 43 22 5  o 8.9291  0.2789 8.5667  -153.8000 0.28   -0.03  -0.00  0.01   
1 1 1 43 22 6  o 2.6256  0.4018 3.4158  -52.0000  0.16   -0.62  0.08   -0.01  
1 1 1 43 22 7  o 12.631  0.2184 11.644  -126.2000 -0.05  2.39   0.22   0.50   
1 1 1 43 22 8  o 3.8168  0.5469 5.3983  154.100   0.87   0.46   -0.01  -0.05  
1 1 1 43 22 9  o 3.9130  0.3615 2.7400  128.600   -0.33  0.20   0.07   -0.06  
1 1 1 43 22 10 o 4.6898  0.3404 3.9727  -102.5000 0.15   -0.02  -0.00  -0.00  
1 1 1 43 22 11 o 9.2205  0.2108 9.4875  123.500   1.08   0.86   -0.25  0.12   
1 1 1 43 22 12 o 3.9567  0.4019 2.9348  158.400   0.28   0.07   -0.01  0.01   
1 1 1 43 22 13 o 2.0770  0.6748 2.6778  125.700   -0.11  0.11   0.01   -0.00  
1 1 1 43 22 14 o 1.5515  0.8691 2.0107  -135.9000 0.17   0.05   0.00   -0.01  
1 1 1 43 22 15 o 3.8581  0.5612 ?       ?         -0.11  -0.61  -0.03  0.01   
1 1 1 43 22 16 o 1.3740  0.9099 ?       ?         -0.09  -0.40  -0.01  0.02   
1 1 1 43 22 17 o 4.1582  0.8429 ?       ?         0.09   -1.07  -0.01  -0.03  
1 1 1 43 22 18 o 5.8040  0.5217 ?       ?         -0.65  0.06   0.01   0.00   
1 1 1 43 22 19 o 4.2470  0.9771 ?       ?         0.11   0.45   -0.00  -0.00  
1 1 1 43 23 0  o 4.3243  0.4577 3.8941  180.000   -0.32  0.00   0.00   0.00   
1 1 1 43 23 1  o 8.9079  0.2054 7.3721  -165.7000 -0.98  0.30   -0.15  -0.03  
1 1 1 43 23 2  o 11.566  0.2013 11.764  -35.5000  1.46   0.55   0.01   -0.29  
1 1 1 43 23 3  o 5.8463  0.5838 6.7169  174.100   -1.03  0.11   -0.04  -0.01  
1 1 1 43 23 4  o 4.0674  0.3673 4.1262  171.000   -0.09  -0.01  -0.00  -0.00  
1 1 1 43 23 5  o 3.4041  0.5435 5.0444  -102.3000 -1.14  1.28   0.08   0.15   
1 1 1 43 23 6  o 3.8281  0.2913 3.5113  -179.5000 0.35   -0.02  -0.03  -0.04  
1 1 1 43 23 7  o 3.8031  0.2950 4.2822  19.500    0.18   -0.06  0.00   -0.03  
1 1 1 43 23 8  o 6.4037  0.2175 5.9645  92.300    0.76   0.61   -0.32  0.20   
1 1 1 43 23 9  o 11.061  0.1648 11.278  -157.9000 -2.11  -0.64  -0.20  0.65   
1 1 1 43 23 10 o 6.1844  0.2579 6.9339  114.300   -0.91  0.77   0.09   -0.51  
1 1 1 43 23 11 o 7.1652  0.2531 6.8256  34.200    -0.60  -0.62  0.11   0.03   
1 1 1 43 23 12 o 6.7167  0.2783 5.8870  18.000    0.76   -0.06  -0.00  -0.07  
1 1 1 43 23 13 o 3.2270  0.5270 3.6762  149.400   -0.05  0.02   0.00   0.00   
1 1 1 43 23 14 f 3.1364  0.5777 4.2222  23.500    -0.14  0.02   0.00   -0.00  
1 1 1 43 23 15 o 8.4524  0.3022 ?       ?         1.82   -1.28  -0.09  -0.23  
1 1 1 43 23 16 o 3.2823  0.6932 ?       ?         0.06   -0.06  -0.00  -0.00  
1 1 1 43 23 17 o 3.7369  0.6986 ?       ?         0.48   0.70   -0.01  0.02   
1 1 1 43 23 18 o 5.8160  0.5806 ?       ?         0.77   -0.53  0.00   -0.01  
1 1 1 43 23 19 o 7.2024  0.9489 ?       ?         0.56   -1.02  0.01   -0.00  
1 1 1 43 24 0  o 4.5935  0.4175 3.6356  0.0000    0.01   0.00   0.00   0.00   
1 1 1 43 24 1  o 8.6841  0.3866 8.5424  53.000    -1.83  0.66   -0.19  0.02   
1 1 1 43 24 2  o 4.0773  0.3327 5.7038  -146.0000 0.92   -0.88  -0.18  0.18   
1 1 1 43 24 3  o 4.3918  0.4855 4.8514  141.500   1.98   0.28   -0.20  -0.20  
1 1 1 43 24 4  o 6.8593  0.2349 5.9015  -163.6000 -0.84  1.73   -0.23  0.54   
1 1 1 43 24 5  o 2.3770  0.5479 2.6618  -69.2000  0.34   0.02   0.05   0.08   
1 1 1 43 24 6  o 5.2969  0.3157 4.5692  49.200    1.11   1.63   0.33   -0.17  
1 1 1 43 24 7  o 4.0730  0.2710 2.6975  42.800    0.08   0.08   0.00   0.01   
1 1 1 43 24 8  f 4.0887  0.3047 3.1429  -20.9000  0.47   0.67   -0.13  -0.09  
1 1 1 43 24 9  o 9.1034  0.1931 9.4375  -30.2000  1.71   -0.36  -0.17  -0.34  
1 1 1 43 24 10 o 3.0264  0.4581 3.9309  83.900    -0.57  0.01   0.05   -0.09  
1 1 1 43 24 11 o 6.6170  0.2701 6.5217  -90.2000  0.05   -0.25  -0.00  0.01   
1 1 1 43 24 12 o 3.3667  0.6401 3.4667  -121.4000 0.43   -0.56  -0.03  0.03   
1 1 1 43 24 13 o 4.6094  0.7951 4.4466  101.900   -0.74  1.45   0.09   0.01   
1 1 1 43 24 14 o 6.2606  0.3604 ?       ?         -1.04  0.19   0.04   -0.06  
1 1 1 43 24 15 f 4.1326  0.5505 ?       ?         -0.71  0.36   0.01   -0.03  
1 1 1 43 24 16 o 7.4611  0.4928 ?       ?         0.19   -1.87  -0.06  -0.01  
1 1 1 43 24 17 o 4.4435  0.7355 ?       ?         -0.11  -0.06  0.00   0.00   
1 1 1 43 24 18 o 3.3456  1.2577 ?       ?         0.21   0.65   -0.00  0.01   
1 1 1 43 24 19 o 0.6331  0.9429 ?       ?         -0.20  0.01   0.00   -0.00  
1 1 1 43 25 0  o 14.206  0.1910 15.612  180.000   -1.64  0.00   0.00   0.00   
1 1 1 43 25 1  o 2.3323  0.4172 1.2567  -60.0000  0.09   -0.11  -0.01  0.01   
1 1 1 43 25 2  o 9.1468  0.1680 9.4325  1.3000    -0.01  -0.71  -0.07  -0.19  
1 1 1 43 25 3  o 10.736  0.6542 8.8308  84.500    -8.39  0.51   -0.94  -0.25  
1 1 1 43 25 4  o 8.5521  0.2487 8.9842  -71.9000  -1.63  -1.24  -0.38  -0.15  
1 1 1 43 25 5  o 5.2278  0.5097 7.0198  16.900    0.27   -0.65  0.03   0.00   
1 1 1 43 25 6  o 4.7781  0.6312 5.3432  -62.4000  0.04   0.29   0.00   0.00   
1 1 1 43 25 7  o 1.6641  0.8218 0.6336  -135.4000 -0.45  -0.80  0.00   -0.14  
1 1 1 43 25 8  o 3.0277  0.9416 2.1051  -101.1000 -0.10  -0.88  0.04   -0.03  
1 1 1 43 25 9  o 4.3050  0.3280 5.0692  68.400    0.39   0.60   0.11   0.06   
1 1 1 43 25 10 o 3.9911  0.3772 5.3752  114.500   0.06   0.13   -0.00  -0.00  
1 1 1 43 25 11 o 3.5527  0.4209 2.5451  -113.4000 -0.42  -0.58  -0.09  -0.01  
1 1 1 43 25 12 o 2.2342  1.0613 3.0243  1.7000    0.19   0.18   -0.01  -0.00  
1 1 1 43 25 13 o 2.4352  0.6419 1.7809  -62.5000  0.09   0.04   -0.00  0.00   
1 1 1 43 25 14 o 7.6193  0.3036 ?       ?         0.49   0.36   0.01   0.02   
1 1 1 43 25 15 o 4.3525  0.6393 ?       ?         -0.70  0.87   -0.02  -0.02  
1 1 1 43 25 16 o 6.5894  0.5490 ?       ?         -0.57  1.30   -0.03  -0.02  
1 1 1 43 25 17 o 1.5629  1.1595 ?       ?         -0.27  -0.09  0.00   0.00   
1 1 1 43 25 18 o 0.0000  2.4020 ?       ?         -0.01  0.54   -0.01  0.00   
1 1 1 43 25 19 f 2.5919  1.7204 ?       ?         0.34   -0.22  -0.00  -0.00  
1 1 1 43 26 0  o 5.1186  0.5604 3.8117  0.0000    0.43   0.00   0.00   0.00   
1 1 1 43 26 1  o 10.556  0.3541 10.613  71.000    -0.51  0.89   0.07   -0.01  
1 1 1 43 26 2  o 6.5481  0.3246 8.1411  -13.1000  0.57   -1.71  0.30   -0.07  
1 1 1 43 26 3  o 7.5933  0.2380 5.3230  -115.5000 -0.05  -0.21  -0.01  -0.01  
1 1 1 43 26 4  o 11.245  0.4199 11.496  -116.4000 1.19   -1.59  -0.04  0.11   
1 1 1 43 26 5  o 3.4185  0.3987 4.6423  97.400    -0.36  0.29   -0.08  -0.04  
1 1 1 43 26 6  o 5.1795  0.2991 4.2865  -98.4000  -0.39  -0.65  0.12   0.05   
1 1 1 43 26 7  o 5.1051  0.2781 5.6646  62.800    -0.23  -0.10  -0.01  0.00   
1 1 1 43 26 8  o 5.0222  0.6513 5.2379  -99.3000  -1.40  -0.57  -0.02  -0.05  
1 1 1 43 26 9  o 4.1324  0.3651 3.8327  21.300    2.03   -0.02  -0.23  -0.29  
1 1 1 43 26 10 o 3.4722  0.3994 2.1069  -50.0000  -0.33  -0.17  -0.01  0.04   
1 1 1 43 26 11 o 3.1303  0.9238 3.0945  -100.4000 -0.61  -0.76  -0.03  -0.05  
1 1 1 43 26 12 o 3.5022  0.5039 2.2978  -9.0000   -0.27  -0.15  -0.00  0.01   
1 1 1 43 26 13 o 5.9042  0.3332 5.7906  -148.5000 0.27   -0.36  0.01   -0.01  
1 1 1 43 26 14 o 5.3547  0.4862 ?       ?         1.14   1.11   -0.07  0.03   
1 1 1 43 26 15 o 8.5248  0.4145 ?       ?         -1.08  -0.23  0.01   0.01   
1 1 1 43 26 16 o 3.9013  0.9136 ?       ?         0.30   -0.72  -0.01  -0.00  
1 1 1 43 26 17 o 5.8514  0.7265 ?       ?         -1.01  0.59   -0.01  -0.01  
1 1 1 43 26 18 o 2.6340  1.2944 ?       ?         0.15   0.19   0.00   0.00   
1 1 1 43 27 0  o 3.2404  0.8542 2.1441  -0.0000   0.36   0.00   0.00   0.00   
1 1 1 43 27 1  o 5.6634  0.4572 5.7934  -111.9000 -0.06  0.31   -0.01  0.01   
1 1 1 43 27 2  o 7.7698  0.3666 6.7828  -75.8000  0.33   -0.68  -0.07  -0.07  
1 1 1 43 27 3  o 8.1020  0.8324 7.5131  -131.2000 -3.11  -3.00  -0.22  -0.30  
1 1 1 43 27 4  o 12.376  0.1924 12.322  -108.5000 -1.29  -0.97  -0.12  0.35   
1 1 1 43 27 5  o 2.1430  0.5529 3.3430  49.800    -0.21  0.54   0.00   0.06   
1 1 1 43 27 6  o 4.1339  0.4366 5.8649  -53.4000  -0.01  -0.85  0.04   0.05   
1 1 1 43 27 7  o 4.8304  0.2436 3.7211  -82.1000  0.65   -0.13  -0.05  -0.08  
1 1 1 43 27 8  o 8.0178  0.1836 8.9413  -135.0000 -0.85  -0.52  0.15   0.24   
1 1 1 43 27 9  o 2.0275  0.4433 1.0531  -109.2000 -0.01  -0.07  -0.00  0.00   
1 1 1 43 27 10 o 3.6443  0.3886 3.5588  -60.0000  0.22   0.05   0.01   -0.01  
1 1 1 43 27 11 o 4.3648  0.4582 5.9714  22.200    -0.35  -0.12  0.00   -0.01  
1 1 1 43 27 12 o 8.6735  0.2660 8.5752  73.300    1.07   1.14   -0.13  0.06   
1 1 1 43 27 13 o 6.8789  0.3430 ?       ?         1.34   -0.22  0.09   -0.01  
1 1 1 43 27 14 o 4.1166  0.6247 ?       ?         -0.30  -0.22  -0.00  0.01   
1 1 1 43 27 15 o 6.3006  0.6452 ?       ?         -0.29  0.38   -0.00  -0.00  
1 1 1 43 27 16 o 5.8078  0.8085 ?       ?         0.37   0.08   0.00   0.00   
1 1 1 43 27 17 o 3.7737  1.7385 ?       ?         -0.83  -0.66  -0.00  0.01   
1 1 1 43 27 18 o 2.0225  1.2448 ?       ?         -0.16  1.06   -0.00  -0.00  
1 1 1 43 28 0  f 2.0248  1.1354 4.6768  -0.0000   0.09   0.00   0.00   0.00   
1 1 1 43 28 1  o 5.7664  0.4260 4.4394  110.100   0.15   0.13   0.00   0.00   
1 1 1 43 28 2  o 4.2719  0.5678 3.9250  102.500   -0.11  0.37   -0.02  -0.01  
1 1 1 43 28 3  o 0.3858  0.7958 1.1610  -128.5000 -0.15  0.15   -0.02  -0.01  
1 1 1 43 28 4  o 2.5070  0.7775 1.4869  157.600   0.01   -0.11  -0.00  0.00   
1 1 1 43 28 5  o 7.2557  0.2712 7.7284  47.400    0.20   -0.61  -0.06  -0.00  
1 1 1 43 28 6  o 2.6486  0.7412 1.2935  -87.3000  -0.31  -0.18  0.00   -0.01  
1 1 1 43 28 7  o 5.8549  0.3775 5.8298  -132.1000 1.28   -2.35  -0.19  0.44   
1 1 1 43 28 8  o 7.8995  0.1944 9.2164  -175.0000 -2.83  -0.66  -0.27  1.03   
1 1 1 43 28 9  o 3.7675  0.3319 4.9246  160.800   -0.55  -0.06  -0.01  -0.04  
1 1 1 43 28 10 o 7.4132  0.2550 9.2668  69.200    -0.14  -0.35  -0.01  -0.00  
1 1 1 43 28 11 o 4.7194  1.1086 4.0901  118.000   -1.58  0.99   0.02   0.08   
1 1 1 43 28 12 o 5.2161  0.4021 4.9591  -17.8000  0.38   0.12   0.00   0.01   
1 1 1 43 28 13 o 5.8375  0.4683 ?       ?         0.67   -0.45  0.00   -0.02  
1 1 1 43 28 14 f 0.0000  2.2566 ?       ?         -0.20  -0.01  0.00   0.00   
1 1 1 43 28 15 o 2.9476  1.3956 ?       ?         0.66   -0.29  0.01   -0.00  
1 1 1 43 28 16 f 4.7251  1.0689 ?       ?         -0.37  1.26   -0.01  -0.00  
1 1 1 43 28 17 o 2.1191  1.3334 ?       ?         0.32   -0.05  0.00   0.00   
1 1 1 43 28 18 o 0.0000  1.9235 ?       ?         0.11   -0.40  0.00   0.00   
1 1 1 43 29 0  o 5.1865  0.7141 3.8806  -0.0000   0.41   0.00   0.00   0.00   
1 1 1 43 29 1  o 3.2269  0.5675 2.1375  -117.6000 0.22   -0.08  -0.01  -0.01  
1 1 1 43 29 2  o 5.6335  0.5516 5.6220  148.700   -1.12  0.64   -0.09  -0.03  
1 1 1 43 29 3  o 1.4020  0.9416 1.1804  98.900    -0.16  -0.47  -0.01  -0.05  
1 1 1 43 29 4  o 3.9476  0.5553 1.9393  -86.1000  0.16   0.47   -0.04  0.01   
1 1 1 43 29 5  o 2.5512  0.4835 0.6687  108.500   0.05   -0.07  -0.00  -0.00  
1 1 1 43 29 6  o 4.4256  0.7818 4.7421  -127.7000 -0.33  -0.17  -0.01  -0.00  
1 1 1 43 29 7  o 8.6864  0.4233 9.8091  141.000   -5.09  -0.34  -0.44  -0.83  
1 1 1 43 29 8  o 7.9184  0.1739 8.9181  22.200    -0.89  -0.03  0.15   0.09   
1 1 1 43 29 9  o 6.0066  0.2407 5.9166  121.600   -0.01  0.55   -0.04  -0.04  
1 1 1 43 29 10 o 1.7379  0.7115 2.0188  -62.0000  0.21   -0.07  -0.00  -0.01  
1 1 1 43 29 11 o 2.5577  1.1954 1.7652  13.600    -0.03  0.22   -0.00  0.01   
1 1 1 43 29 12 o 8.2862  0.3054 ?       ?         -3.12  -1.20  0.37   0.28   
1 1 1 43 29 13 o 3.3118  0.7447 ?       ?         0.03   0.47   -0.01  -0.01  
1 1 1 43 29 14 o 2.5795  1.0345 ?       ?         0.27   -0.12  0.00   -0.00  
1 1 1 43 29 15 o 3.5901  1.6926 ?       ?         1.03   -0.21  -0.00  -0.03  
1 1 1 43 29 16 o 4.4135  1.1406 ?       ?         -0.21  -0.34  -0.00  0.00   
1 1 1 43 29 17 o 4.8374  1.2085 ?       ?         0.13   0.15   0.00   0.00   
1 1 1 43 30 0  o 6.0663  0.6381 5.9116  -180.0000 -0.61  0.00   0.00   0.00   
1 1 1 43 30 1  o 5.5847  0.4339 4.3035  -101.5000 -0.16  -0.94  -0.02  -0.06  
1 1 1 43 30 2  o 2.3486  0.7380 3.7316  -16.7000  -0.19  0.34   0.02   -0.03  
1 1 1 43 30 3  o 4.7507  1.2179 3.7925  114.700   -1.20  1.58   0.10   0.07   
1 1 1 43 30 4  o 4.5498  0.5173 4.2730  37.000    -0.07  -0.60  -0.03  -0.03  
1 1 1 43 30 5  f 3.9978  0.6168 5.6551  32.900    -0.16  -0.17  0.00   0.00   
1 1 1 43 30 6  o 7.9096  0.3077 8.8909  38.800    0.01   1.03   0.01   0.06   
1 1 1 43 30 7  o 7.2450  0.1818 7.2003  68.000    0.80   0.87   0.18   0.17   
1 1 1 43 30 8  o 4.1091  0.4739 3.9833  -109.1000 -0.15  -1.00  -0.02  -0.07  
1 1 1 43 30 9  f 7.6070  0.2774 8.5268  130.600   -1.57  1.20   -0.13  -0.33  
1 1 1 43 30 10 o 2.8892  0.5460 2.2905  69.600    -0.00  -0.06  -0.00  0.00   
1 1 1 43 30 11 o 9.9315  0.2420 8.7363  64.000    -0.86  0.79   -0.04  -0.06  
1 1 1 43 30 12 o 1.4562  1.0517 ?       ?         0.30   0.76   -0.02  0.06   
1 1 1 43 30 13 o 4.8823  0.9488 ?       ?         0.75   -0.09  -0.00  -0.01  
1 1 1 43 30 14 o 2.9214  1.0668 ?       ?         -0.28  -0.22  0.00   0.00   
1 1 1 43 30 15 o 5.8481  1.0806 ?       ?         1.05   0.21   0.00   0.00   
1 1 1 43 31 0  o 4.3818  0.7828 5.7374  180.000   0.17   0.00   0.00   0.00   
1 1 1 43 31 1  o 2.1039  0.8437 0.0832  169.800   0.05   -0.08  -0.00  -0.00  
1 1 1 43 31 2  o 2.9435  0.7692 1.8582  -71.5000  -0.06  -0.16  -0.00  -0.00  
1 1 1 43 31 3  o 2.5989  0.6880 2.7189  -155.7000 -0.31  -0.06  0.02   -0.01  
1 1 1 43 31 4  f 4.3046  0.5662 4.3732  111.200   -0.00  0.65   -0.03  0.03   
1 1 1 43 31 5  o 2.5101  0.7831 2.9991  136.800   -0.39  -0.07  0.00   0.02   
1 1 1 43 31 6  o 1.8656  0.9029 3.7712  -54.8000  0.06   -0.16  -0.00  -0.01  
1 1 1 43 31 7  o 5.2918  0.5407 4.5800  9.5000    -0.23  0.43   -0.01  0.01   
1 1 1 43 31 8  o 4.9292  2.1687 5.2679  26.400    -0.18  0.34   -0.00  0.00   
1 1 1 43 31 9  o 5.2520  0.3825 5.3892  154.200   -0.24  -0.86  0.02   0.04   
1 1 1 43 31 10 o 5.3435  0.3161 6.5160  -20.1000  0.22   0.93   0.01   0.07   
1 1 1 43 31 11 o 2.0845  1.0235 ?       ?         -0.28  -0.13  0.01   -0.00  
1 1 1 43 31 12 o 2.7044  1.0666 ?       ?         -0.31  -0.25  0.00   0.00   
1 1 1 43 31 13 o 8.3367  0.7610 ?       ?         0.76   1.04   0.00   0.00   
1 1 1 43 31 14 o 3.5917  1.0262 ?       ?         0.13   -0.71  0.00   0.00   
1 1 1 43 32 0  o 4.0497  0.6518 2.7814  -0.0000   -0.32  0.00   0.00   0.00   
1 1 1 43 32 1  o 3.5624  1.5887 2.7302  112.400   0.14   0.38   0.01   0.01   
1 1 1 43 32 2  o 8.1630  0.3548 6.8092  133.900   -0.82  -1.14  0.04   0.14   
1 1 1 43 32 3  o 4.5540  0.5411 3.0861  24.800    -0.04  -0.94  -0.01  0.05   
1 1 1 43 32 4  o 2.2081  0.7668 1.7350  168.400   0.11   0.32   -0.02  0.01   
1 1 1 43 32 5  o 3.4965  0.6984 2.7167  -73.6000  0.52   -0.32  -0.02  -0.02  
1 1 1 43 32 6  o 5.7042  0.5277 3.5426  -172.3000 0.50   -0.04  0.01   0.01   
1 1 1 43 32 7  o 4.4139  1.8225 3.9151  -142.7000 0.54   0.44   0.02   0.00   
1 1 1 43 32 8  o 8.8360  0.5653 9.4601  -43.2000  1.16   0.21   0.02   -0.00  
1 1 1 43 32 9  o 3.3097  0.4491 3.5028  25.400    -0.15  0.13   0.00   -0.01  
1 1 1 43 32 10 o 5.6279  0.3846 ?       ?         -0.17  0.92   -0.03  0.02   
1 1 1 43 32 11 o 2.9665  1.0271 ?       ?         0.24   -0.13  0.00   0.00   
1 1 1 43 32 12 o 4.0125  1.1368 ?       ?         0.54   0.05   0.00   0.00   
1 1 1 43 33 0  o 7.6551  0.5016 8.5143  -0.0000   -0.78  0.00   0.00   0.00   
1 1 1 43 33 1  o 2.7844  1.2955 1.5883  -92.6000  -0.41  -0.12  0.01   -0.02  
1 1 1 43 33 2  o 1.9467  0.9774 0.8350  -137.7000 -0.02  -0.05  0.00   0.00   
1 1 1 43 33 3  o 6.3829  0.5406 4.8621  -77.4000  -0.61  1.59   0.06   -0.08  
1 1 1 43 33 4  o 4.1175  0.7410 3.3384  45.800    -0.42  -0.14  0.01   -0.00  
1 1 1 43 33 5  o 0.0000  2.3126 ?       ?         -0.21  -0.51  -0.04  0.02   
1 1 1 43 33 6  o 5.8908  0.6707 4.4198  26.500    0.41   -0.07  0.00   0.00   
1 1 1 43 33 7  o 4.1418  1.0010 5.4620  -154.0000 0.55   -0.61  -0.00  -0.01  
1 1 1 43 33 8  o 0.0000  2.7834 ?       ?         0.33   0.25   0.00   0.01   
1 1 1 43 33 9  o 5.8319  0.3407 5.9130  -96.1000  0.37   -0.57  -0.01  -0.02  
1 1 1 43 33 10 o 3.7283  0.6721 ?       ?         -0.58  -0.37  0.00   0.00   
1 1 1 43 34 0  f 0.0000  3.1623 1.5937  180.000   -0.01  0.00   0.00   0.00   
1 1 1 43 34 1  o 8.2790  0.5918 9.5693  -30.6000  -0.79  1.39   0.05   -0.04  
1 1 1 43 34 2  o 5.5304  0.5376 5.0269  168.600   -0.30  -1.01  -0.04  -0.02  
1 1 1 43 34 3  o 3.5917  1.6387 4.2632  -13.2000  0.18   -0.38  -0.01  0.01   
1 1 1 43 34 4  o 4.9591  0.7927 4.2787  37.600    0.16   0.30   0.00   0.00   
1 1 1 43 34 5  o 3.9579  1.1043 2.7384  85.500    0.01   0.41   -0.00  0.00   
1 1 1 43 34 6  o 0.0000  2.4356 ?       ?         -0.62  0.32   0.02   -0.02  
1 1 1 43 34 7  o 3.4452  1.0256 3.8821  76.500    0.74   0.36   0.02   0.01   
1 1 1 43 34 8  f 7.1167  0.7321 7.3414  56.900    -0.81  1.71   -0.03  0.01   
1 1 1 43 34 9  o 4.8580  1.5045 ?       ?         0.81   -0.74  0.00   0.00   
1 1 1 43 35 0  o 4.3012  1.0847 3.3520  0.0000    0.12   0.00   0.00   0.00   
1 1 1 43 35 1  o 5.0272  0.8654 6.0358  -33.3000  0.89   0.63   -0.02  0.02   
1 1 1 43 35 2  o 5.5639  0.6853 5.8338  -122.4000 0.01   -0.99  -0.02  -0.01  
1 1 1 43 35 3  o 11.157  0.5044 9.8565  -67.7000  0.78   -2.29  -0.01  -0.07  
1 1 1 43 35 4  o 5.6736  0.8019 5.0118  -148.8000 -1.07  -1.13  -0.03  0.02   
1 1 1 43 35 5  o 6.8896  0.6954 7.8153  -53.4000  -0.17  0.58   -0.00  -0.00  
1 1 1 43 35 6  o 5.2071  0.8435 4.5778  112.200   -0.02  -0.01  0.00   0.00   
1 1 1 43 35 7  o 4.7944  1.0277 4.9338  -150.1000 -0.07  -0.73  -0.01  -0.01  
1 1 1 43 35 8  o 1.9961  1.6461 ?       ?         -0.21  -0.03  0.00   0.00   
1 1 1 43 36 0  o 3.7683  1.4156 0.3243  0.0000    0.19   0.00   0.00   0.00   
1 1 1 43 36 1  o 5.9527  0.9549 5.1981  -163.7000 -0.83  0.04   -0.00  -0.01  
1 1 1 43 36 2  o 3.9170  1.0008 5.4626  -65.2000  0.41   0.06   0.00   -0.00  
1 1 1 43 36 3  o 2.3883  1.1432 3.3165  79.300    0.80   0.62   0.02   0.03   
1 1 1 43 36 4  o 2.5844  1.3165 3.4625  -58.2000  0.31   0.15   0.00   0.00   
1 1 1 43 36 5  o 5.1715  0.7686 4.5797  19.900    0.59   0.10   0.00   0.00   
1 1 1 43 36 6  o 5.7417  0.8373 3.6580  138.100   -0.16  -0.51  -0.00  -0.00  
1 1 1 43 36 7  o 6.5079  1.0709 ?       ?         -1.42  -0.36  -0.00  -0.00  
1 1 1 43 37 0  o 0.0000  3.4351 0.1319  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 43 37 1  o 3.1521  1.0865 5.0192  -83.1000  0.01   -0.52  -0.01  0.00   
1 1 1 43 37 2  o 0.7450  1.1877 2.1091  42.800    0.11   0.15   -0.00  0.00   
1 1 1 43 37 3  o 5.2807  0.6572 4.3945  -82.1000  1.16   -1.46  0.03   -0.05  
1 1 1 43 37 4  o 6.1156  0.7371 3.9526  -51.0000  0.95   -0.31  0.01   -0.00  
1 1 1 43 37 5  o 1.8570  1.1520 ?       ?         0.13   0.30   -0.00  0.00   
1 1 1 43 37 6  o 3.0984  1.8064 ?       ?         -0.07  0.03   0.00   0.00   
1 1 1 43 38 0  o 0.0000  3.8341 5.3239  -180.0000 0.05   0.00   0.00   0.00   
1 1 1 43 38 1  o 3.0973  1.0389 3.5582  -47.9000  0.19   -0.60  -0.01  -0.01  
1 1 1 43 38 2  o 2.4587  1.2846 0.4960  66.800    -0.58  0.21   -0.01  -0.02  
1 1 1 43 38 3  o 4.4759  0.8687 ?       ?         -0.56  -0.05  0.00   0.00   
1 1 1 43 38 4  o 5.8634  1.0393 ?       ?         0.31   -1.23  0.00   -0.00  
1 1 1 43 39 0  o 3.1937  1.6889 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 43 39 1  o 0.0000  4.0249 ?       ?         -0.16  -0.81  0.00   0.00   
1 1 1 44 0  0  o 18.420  0.2596 19.599  -180.0000 -0.41  0.00   0.00   0.00   
1 1 1 44 0  1  o 5.6745  0.2929 6.1244  135.100   -0.01  0.01   0.00   0.00   
1 1 1 44 0  2  o 6.0498  0.2914 6.1943  -90.0000  0.00   0.15   0.00   0.00   
1 1 1 44 0  3  o 9.6954  0.2267 7.1260  -135.1000 0.04   0.04   0.00   0.00   
1 1 1 44 0  4  o 4.8374  0.3732 3.7211  -0.1000   0.04   0.00   0.00   0.00   
1 1 1 44 0  5  o 6.1400  0.3464 6.7877  -45.0000  -0.04  0.04   0.00   0.00   
1 1 1 44 0  6  o 9.9096  0.2317 10.686  90.000    0.00   0.10   0.00   0.00   
1 1 1 44 0  7  o 5.0695  0.4178 5.2108  -135.0000 -0.02  -0.02  0.00   0.00   
1 1 1 44 0  8  o 3.7815  0.5390 2.9805  180.000   0.04   0.00   0.00   0.00   
1 1 1 44 0  9  o 11.628  0.2483 14.408  135.000   -0.30  0.30   0.00   0.00   
1 1 1 44 0  10 o 3.2094  0.6493 0.4241  90.000    -0.00  -0.05  0.00   0.00   
1 1 1 44 0  11 o 6.1725  0.4094 8.5275  -135.0000 -0.21  -0.21  0.00   0.00   
1 1 1 44 0  12 o 14.567  0.2430 11.156  0.0000    0.25   0.00   0.00   0.00   
1 1 1 44 0  13 o 5.4863  0.4993 6.2625  -45.0000  0.19   -0.19  0.00   0.00   
1 1 1 44 0  14 o 5.4129  0.5202 7.8962  -90.0000  0.00   0.33   0.00   0.00   
1 1 1 44 0  15 o 6.7676  0.4234 6.6669  45.000    0.40   0.40   0.00   0.00   
1 1 1 44 0  16 o 0.6325  1.0629 1.1134  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 44 0  17 o 1.8439  1.0304 2.1619  -45.0000  0.09   -0.09  0.00   0.00   
1 1 1 44 0  18 o 0.0000  2.5884 ?       ?         0.00   0.01   0.00   0.00   
1 1 1 44 0  19 o 1.0488  1.1580 ?       ?         0.13   0.13   0.00   0.00   
1 1 1 44 0  20 o 4.8580  0.6246 ?       ?         -0.51  0.00   0.00   0.00   
1 1 1 44 0  21 o 1.5492  0.9949 ?       ?         0.05   -0.05  0.00   0.00   
1 1 1 44 1  0  o 20.258  0.2439 22.119  -180.0000 -0.24  0.00   0.00   0.00   
1 1 1 44 1  1  o 9.6653  0.2479 8.5988  -76.5000  2.39   -3.11  -0.14  1.38   
1 1 1 44 1  2  o 9.5791  0.1503 7.4184  34.900    0.16   0.13   -0.06  0.09   
1 1 1 44 1  3  o 4.3191  0.2912 5.7828  17.600    0.66   0.71   0.11   -0.20  
1 1 1 44 1  4  o 11.953  0.4679 12.172  6.7000    7.15   -4.14  -0.41  1.94   
1 1 1 44 1  5  o 5.2878  0.2643 2.6554  149.500   0.33   0.32   -0.24  -0.04  
1 1 1 44 1  6  o 15.262  0.1461 13.090  110.200   -0.22  0.95   -0.47  0.30   
1 1 1 44 1  7  o 8.5913  0.4309 8.8307  42.000    3.65   0.41   -0.58  0.07   
1 1 1 44 1  8  o 8.8321  0.2025 6.7731  84.700    -0.36  0.10   -0.01  -0.14  
1 1 1 44 1  9  o 9.1124  0.2076 9.6980  -102.1000 -0.82  -1.30  -0.49  -0.69  
1 1 1 44 1  10 o 9.7231  0.1914 11.859  -111.3000 -0.16  0.25   -0.03  -0.09  
1 1 1 44 1  11 o 5.7779  0.3097 6.7672  -121.2000 -0.49  -0.09  0.11   -0.10  
1 1 1 44 1  12 o 5.4497  0.3345 4.1048  -66.4000  -0.36  -0.03  0.02   0.06   
1 1 1 44 1  13 o 9.1024  0.2606 8.5612  37.100    1.06   -0.25  -0.01  0.12   
1 1 1 44 1  14 o 9.6272  0.2350 7.8066  164.900   0.44   -0.83  -0.10  -0.20  
1 1 1 44 1  15 o 6.7687  0.3062 6.4538  -125.5000 -0.35  -0.39  -0.03  0.07   
1 1 1 44 1  16 o 2.5839  0.8009 2.0433  -43.6000  -0.37  0.08   0.00   0.03   
1 1 1 44 1  17 o 8.4069  0.2750 9.5242  0.6000    -0.81  0.78   0.11   -0.06  
1 1 1 44 1  18 o 2.9565  0.6270 ?       ?         -0.05  0.23   -0.00  -0.01  
1 1 1 44 1  19 o 3.1740  1.4310 ?       ?         -0.06  0.61   0.01   0.03   
1 1 1 44 1  20 o 6.0104  1.0928 ?       ?         2.05   2.42   0.18   -0.05  
1 1 1 44 1  21 o 3.6335  0.6402 ?       ?         -0.26  0.09   0.00   0.00   
1 1 1 44 2  0  o 8.4321  0.2420 7.3733  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 44 2  1  o 7.9596  0.2687 8.4606  -139.4000 -0.67  -1.82  0.18   -0.31  
1 1 1 44 2  2  o 5.0485  0.2388 3.5294  -38.0000  -0.33  -0.52  0.06   -0.05  
1 1 1 44 2  3  o 12.387  0.1379 12.810  -54.3000  0.10   -1.03  0.12   0.62   
1 1 1 44 2  4  o 10.552  0.1531 8.3024  146.600   -1.44  -1.34  -1.18  -0.61  
1 1 1 44 2  5  o 6.2848  0.2391 4.6296  57.700    -1.09  0.71   -1.48  -0.23  
1 1 1 44 2  6  o 13.901  0.1316 12.246  -49.3000  -0.61  -1.32  -0.26  -0.55  
1 1 1 44 2  7  o 8.8319  0.2063 7.9819  -32.8000  0.95   -0.16  0.62   -0.93  
1 1 1 44 2  8  o 10.953  0.2190 9.6167  -32.6000  -0.10  -0.15  0.00   -0.00  
1 1 1 44 2  9  o 5.2417  0.3055 2.8295  -32.8000  0.43   0.21   0.01   -0.07  
1 1 1 44 2  10 o 6.7519  0.4544 5.7773  -5.4000   1.39   -2.02  0.24   0.25   
1 1 1 44 2  11 o 1.1460  0.8048 3.0850  -4.0000   -0.08  -0.12  -0.01  -0.01  
1 1 1 44 2  12 o 9.6670  0.2154 9.1488  -29.6000  1.02   -0.04  0.11   0.28   
1 1 1 44 2  13 o 7.3477  0.8195 6.3359  -61.3000  3.29   0.56   -0.15  -0.14  
1 1 1 44 2  14 o 6.4595  0.3007 5.4622  -107.9000 -0.62  0.75   0.14   0.01   
1 1 1 44 2  15 o 12.680  0.1997 14.281  82.500    -0.25  1.97   -0.29  -0.41  
1 1 1 44 2  16 o 0.7816  0.8485 1.0631  -41.6000  -0.01  0.12   -0.01  0.00   
1 1 1 44 2  17 o 2.7334  1.2536 1.3724  -49.9000  0.11   -0.21  -0.00  0.01   
1 1 1 44 2  18 o 1.0462  0.9333 ?       ?         0.03   -0.01  0.00   -0.00  
1 1 1 44 2  19 f 4.6156  0.4547 ?       ?         -0.28  0.19   0.00   -0.01  
1 1 1 44 2  20 o 3.5852  0.6066 ?       ?         -0.06  -0.07  -0.00  0.00   
1 1 1 44 2  21 o 6.0642  0.4243 ?       ?         0.56   -0.77  0.01   -0.01  
1 1 1 44 3  0  f 3.2863  0.4742 2.7237  -179.9000 0.17   0.00   0.00   0.00   
1 1 1 44 3  1  o 7.8519  0.2605 5.8429  -144.3000 -1.46  0.69   -0.20  0.13   
1 1 1 44 3  2  o 4.0069  0.3059 4.9609  78.700    0.05   -0.11  0.03   -0.04  
1 1 1 44 3  3  o 7.4221  0.2523 9.2346  21.800    1.19   2.36   0.72   -0.44  
1 1 1 44 3  4  o 4.7175  0.2825 6.2987  -159.8000 -0.65  -0.07  -0.24  0.37   
1 1 1 44 3  5  o 10.151  0.1673 7.9155  -49.5000  0.47   -1.02  -0.26  0.50   
1 1 1 44 3  6  o 5.0442  0.2600 4.5089  52.200    -0.00  0.30   0.03   -0.02  
1 1 1 44 3  7  o 11.609  0.3041 12.097  -169.0000 -1.67  -0.44  -0.10  -0.17  
1 1 1 44 3  8  o 7.9117  0.2391 7.6410  -110.1000 -0.85  -1.73  0.54   -0.16  
1 1 1 44 3  9  o 7.3622  0.2312 8.0534  -167.2000 0.18   -0.52  -0.10  -0.47  
1 1 1 44 3  10 o 4.9639  0.6471 5.3222  124.600   -1.56  1.52   -0.08  0.21   
1 1 1 44 3  11 o 9.0152  0.2301 9.9048  -104.3000 -0.92  -0.95  -0.58  0.60   
1 1 1 44 3  12 o 7.7109  0.2512 6.4283  119.800   -0.11  -0.07  -0.00  0.01   
1 1 1 44 3  13 o 6.3369  0.3106 6.8709  15.100    0.43   0.03   -0.01  0.04   
1 1 1 44 3  14 o 6.1918  0.3191 5.9040  -69.2000  -0.11  0.21   -0.02  -0.00  
1 1 1 44 3  15 o 2.6001  0.7677 1.5288  160.600   -0.34  0.07   -0.00  0.02   
1 1 1 44 3  16 o 2.0974  1.0045 1.0817  -109.9000 -0.27  -0.06  0.00   -0.02  
1 1 1 44 3  17 o 7.3286  0.4575 7.8914  170.700   -0.59  0.20   -0.02  -0.01  
1 1 1 44 3  18 o 6.3498  0.3500 ?       ?         -0.46  -1.03  -0.11  -0.01  
1 1 1 44 3  19 o 4.7955  0.4517 ?       ?         0.48   0.42   0.02   0.01   
1 1 1 44 3  20 o 1.9268  0.8046 ?       ?         0.45   0.07   0.03   -0.00  
1 1 1 44 3  21 o 1.2149  1.0914 ?       ?         -0.58  0.30   0.01   -0.02  
1 1 1 44 4  0  o 18.836  0.1840 18.269  0.0000    0.47   0.00   0.00   0.00   
1 1 1 44 4  1  o 5.3563  0.2288 6.7884  136.600   -0.03  0.33   0.05   0.12   
1 1 1 44 4  2  o 2.4544  0.4179 3.9809  -15.8000  -0.12  -0.09  -0.01  -0.01  
1 1 1 44 4  3  o 12.816  0.1334 12.319  19.000    0.16   -0.03  0.05   -0.01  
1 1 1 44 4  4  o 13.689  0.2785 14.269  -61.4000  -0.43  -0.86  0.01   -0.07  
1 1 1 44 4  5  o 4.5222  0.3029 5.8439  -44.6000  0.24   -0.26  0.14   -0.34  
1 1 1 44 4  6  o 3.0635  0.3805 3.7120  135.200   -0.28  0.67   0.11   0.04   
1 1 1 44 4  7  o 7.7381  0.2141 5.4091  125.400   0.60   0.11   -0.01  -0.18  
1 1 1 44 4  8  o 7.5963  0.5265 6.4613  -178.5000 -4.27  1.15   -0.46  0.48   
1 1 1 44 4  9  o 4.9846  0.4660 2.5710  61.400    1.41   0.70   -0.05  -0.19  
1 1 1 44 4  10 o 5.7587  0.3030 4.9376  -5.3000   -0.00  -0.79  0.08   -0.17  
1 1 1 44 4  11 o 7.9260  0.2408 6.1763  16.300    0.41   0.78   0.20   0.30   
1 1 1 44 4  12 f 3.8209  0.4446 3.1201  -97.2000  -0.23  -0.10  0.01   -0.02  
1 1 1 44 4  13 o 8.9970  0.2379 9.1492  168.100   -1.18  0.43   0.57   -0.29  
1 1 1 44 4  14 o 4.1867  1.2476 3.3338  -114.5000 -0.59  0.31   -0.01  0.01   
1 1 1 44 4  15 o 4.1214  0.4770 3.9212  113.600   -0.08  0.11   -0.00  -0.01  
1 1 1 44 4  16 o 2.6440  0.6047 3.0601  -28.1000  -0.09  0.30   0.01   -0.03  
1 1 1 44 4  17 o 8.3434  0.2789 8.8530  -179.7000 -0.62  0.08   0.03   0.03   
1 1 1 44 4  18 o 3.8753  1.1983 ?       ?         -1.50  -0.18  -0.05  -0.08  
1 1 1 44 4  19 f 2.0258  0.9852 ?       ?         -0.30  0.07   0.01   0.01   
1 1 1 44 4  20 o 3.0357  1.4210 ?       ?         0.68   0.70   0.07   -0.02  
1 1 1 44 4  21 o 3.9605  1.0956 ?       ?         0.79   -0.35  -0.00  -0.01  
1 1 1 44 5  0  o 19.736  0.2006 18.611  180.000   -0.31  0.00   0.00   0.00   
1 1 1 44 5  1  o 5.1680  0.5911 3.4159  4.0000    4.69   -1.74  -0.51  0.59   
1 1 1 44 5  2  o 8.0150  0.2342 3.8320  59.000    -3.74  1.27   -2.18  0.44   
1 1 1 44 5  3  o 7.1458  0.2486 6.7018  -113.4000 -1.67  -1.64  0.30   -0.63  
1 1 1 44 5  4  o 9.0330  0.2084 8.7004  -167.9000 -1.69  0.31   -0.26  0.39   
1 1 1 44 5  5  o 8.1513  0.3398 9.7987  -154.9000 -3.63  1.82   -0.29  1.20   
1 1 1 44 5  6  o 7.2293  0.4300 7.9781  -160.5000 -2.50  0.95   -0.17  0.25   
1 1 1 44 5  7  o 11.211  0.1702 8.4780  -156.5000 -1.00  -1.10  -0.84  -0.28  
1 1 1 44 5  8  o 3.9328  0.3836 0.9984  79.500    0.16   0.00   -0.01  -0.02  
1 1 1 44 5  9  o 7.4594  0.2537 7.0640  139.100   -0.49  -0.18  -0.01  -0.04  
1 1 1 44 5  10 o 11.377  0.1798 11.832  -20.3000  -0.41  -1.00  -0.56  0.16   
1 1 1 44 5  11 o 4.0502  0.3956 3.6798  148.700   0.26   0.13   0.04   0.08   
1 1 1 44 5  12 o 5.7677  0.9713 5.6328  88.000    0.94   0.50   -0.02  -0.01  
1 1 1 44 5  13 o 9.8831  0.2126 9.6988  -148.1000 0.39   -0.09  0.03   -0.05  
1 1 1 44 5  14 o 2.9828  0.5437 2.5102  112.400   0.12   0.27   -0.04  -0.00  
1 1 1 44 5  15 o 8.0222  0.7027 7.9328  -69.3000  1.96   -0.26  -0.09  -0.04  
1 1 1 44 5  16 o 10.273  0.2409 11.357  70.800    1.13   1.81   -0.36  -0.10  
1 1 1 44 5  17 o 8.6031  0.2669 9.6142  70.500    1.03   0.82   -0.13  0.07   
1 1 1 44 5  18 o 4.5810  0.4801 ?       ?         -0.02  0.43   -0.01  -0.01  
1 1 1 44 5  19 o 3.9721  0.5153 ?       ?         0.19   -0.33  -0.01  -0.01  
1 1 1 44 5  20 o 3.7265  0.6389 ?       ?         0.10   0.36   -0.00  0.01   
1 1 1 44 5  21 o 4.7661  0.7174 ?       ?         0.51   0.59   -0.00  0.01   
1 1 1 44 6  0  o 6.9785  0.2689 6.8187  -179.9000 0.07   0.00   0.00   0.00   
1 1 1 44 6  1  o 5.0618  0.2430 3.4918  -2.2000   0.08   0.13   0.02   -0.01  
1 1 1 44 6  2  o 10.754  0.1503 7.8188  -128.1000 -0.55  -1.38  0.02   -0.73  
1 1 1 44 6  3  o 7.6620  0.1926 8.9732  160.000   -0.73  1.01   0.53   0.21   
1 1 1 44 6  4  o 8.5117  0.6039 9.1851  -53.5000  7.37   -3.52  -0.65  1.30   
1 1 1 44 6  5  o 13.117  0.1836 14.396  132.700   -1.58  1.69   0.63   0.52   
1 1 1 44 6  6  o 16.147  0.1361 15.256  107.700   -0.36  0.24   -0.01  -0.13  
1 1 1 44 6  7  o 8.1133  0.4797 8.6030  119.100   -3.39  1.78   -0.43  0.33   
1 1 1 44 6  8  o 8.0051  0.3656 8.5003  164.300   1.66   -1.35  -0.16  0.23   
1 1 1 44 6  9  o 4.6728  0.3402 3.1472  -8.3000   0.17   0.30   0.05   -0.00  
1 1 1 44 6  10 o 5.5681  0.3039 4.2636  86.200    -0.36  -0.71  0.16   0.01   
1 1 1 44 6  11 o 8.2152  0.2969 7.0939  170.900   -0.19  -0.46  0.03   0.00   
1 1 1 44 6  12 o 7.1336  0.7693 7.4734  166.200   -3.24  0.64   -0.16  0.15   
1 1 1 44 6  13 o 4.0331  0.4451 3.8284  98.200    0.27   0.29   -0.03  0.06   
1 1 1 44 6  14 o 12.042  0.1999 14.182  25.900    0.63   1.08   0.08   0.25   
1 1 1 44 6  15 o 7.9624  0.6498 7.7324  -113.2000 -4.03  -1.05  -0.47  0.09   
1 1 1 44 6  16 o 8.3644  0.5737 7.8106  -93.8000  0.22   -1.42  0.02   0.07   
1 1 1 44 6  17 f 2.5819  0.8761 0.4193  -108.8000 0.03   0.00   -0.00  0.00   
1 1 1 44 6  18 o 3.6028  0.6208 ?       ?         -0.37  -0.39  -0.02  -0.00  
1 1 1 44 6  19 o 6.7400  0.3747 ?       ?         0.35   0.05   0.01   0.00   
1 1 1 44 6  20 o 7.9551  0.3696 ?       ?         1.29   -0.76  0.05   -0.05  
1 1 1 44 6  21 o 4.3218  0.6953 ?       ?         0.27   0.41   -0.00  0.00   
1 1 1 44 7  0  o 17.190  0.2041 15.692  -180.0000 -0.22  0.00   0.00   0.00   
1 1 1 44 7  1  o 9.9195  0.1799 10.168  -179.0000 -1.70  -1.40  -0.54  -0.62  
1 1 1 44 7  2  o 7.4805  0.1992 10.308  149.000   -0.84  -0.42  -0.32  -0.02  
1 1 1 44 7  3  o 0.9322  0.6388 1.6762  -37.0000  -0.09  0.01   0.02   -0.06  
1 1 1 44 7  4  o 6.8755  0.2130 5.7422  19.200    0.60   0.29   -0.15  -0.02  
1 1 1 44 7  5  o 3.9927  0.3431 5.5137  2.4000    0.13   0.04   0.05   -0.01  
1 1 1 44 7  6  o 17.588  0.1753 17.714  44.200    1.63   0.86   0.19   -0.43  
1 1 1 44 7  7  o 14.889  0.2743 12.513  35.000    1.98   -1.69  -0.33  0.33   
1 1 1 44 7  8  o 10.939  0.1837 9.5054  61.500    0.00   -0.26  0.01   0.01   
1 1 1 44 7  9  o 9.8013  0.2372 10.486  164.100   -1.78  -1.63  0.46   -0.59  
1 1 1 44 7  10 o 11.859  0.1828 9.3967  -23.1000  -0.12  -0.07  0.01   0.00   
1 1 1 44 7  11 o 6.1601  0.3773 5.0584  -45.4000  2.40   -0.50  -0.25  0.50   
1 1 1 44 7  12 o 5.9877  0.3190 6.0703  -9.4000   0.37   -0.18  0.02   0.03   
1 1 1 44 7  13 o 3.0909  0.5380 1.6614  -77.4000  -0.12  0.26   0.02   -0.02  
1 1 1 44 7  14 o 5.3648  0.8542 5.2247  130.200   -0.33  1.45   0.04   0.05   
1 1 1 44 7  15 o 4.6589  0.4289 4.9382  40.200    0.40   -0.57  0.07   -0.06  
1 1 1 44 7  16 o 8.2360  0.2708 8.4214  28.900    0.79   -0.28  0.06   -0.09  
1 1 1 44 7  17 o 4.2596  0.4749 5.1619  -95.6000  -0.06  -0.92  0.00   -0.07  
1 1 1 44 7  18 o 3.5669  0.5746 ?       ?         -0.00  0.04   -0.00  0.00   
1 1 1 44 7  19 o 2.7632  0.8236 ?       ?         -0.02  -0.20  -0.00  0.00   
1 1 1 44 7  20 o 7.0303  0.4502 ?       ?         -1.91  0.29   0.09   0.02   
1 1 1 44 7  21 o 1.9913  1.1748 ?       ?         0.69   -0.10  0.02   -0.00  
1 1 1 44 8  0  o 9.2250  0.2480 6.6862  0.1000    -0.53  0.00   0.00   0.00   
1 1 1 44 8  1  o 17.780  0.1301 15.756  -131.6000 1.06   -1.55  -0.70  0.41   
1 1 1 44 8  2  o 13.120  0.2868 9.6106  -28.0000  3.10   -0.75  -0.37  0.65   
1 1 1 44 8  3  o 7.9734  0.2351 7.0743  -167.8000 -1.02  0.17   -0.14  -0.03  
1 1 1 44 8  4  o 6.7863  0.3207 5.4456  94.800    -0.79  2.22   0.24   0.45   
1 1 1 44 8  5  o 14.968  0.1413 14.478  -34.4000  0.37   -1.10  -0.53  0.41   
1 1 1 44 8  6  o 14.774  0.2166 14.932  -172.1000 -0.19  0.52   0.00   0.03   
1 1 1 44 8  7  o 12.928  0.1469 12.836  -117.6000 -0.38  0.53   0.17   -0.06  
1 1 1 44 8  8  f 12.123  0.1985 13.416  94.100    -1.71  2.22   -0.50  0.93   
1 1 1 44 8  9  o 11.132  0.1984 11.070  -175.1000 -0.01  -0.27  0.01   0.01   
1 1 1 44 8  10 o 3.1319  0.4821 2.2412  -104.0000 -0.03  -0.40  0.03   0.07   
1 1 1 44 8  11 o 6.6349  0.2811 6.0350  113.900   -0.07  -0.82  0.08   0.15   
1 1 1 44 8  12 f 9.4300  0.2295 9.5912  77.400    0.07   0.32   0.01   0.02   
1 1 1 44 8  13 o 9.4494  0.2298 8.9389  15.900    0.94   1.38   -0.29  -0.18  
1 1 1 44 8  14 f 8.1445  0.5461 7.5055  90.400    0.09   1.42   0.05   -0.06  
1 1 1 44 8  15 o 5.5143  0.3752 5.2578  147.200   0.64   -0.40  -0.06  -0.09  
1 1 1 44 8  16 o 5.1989  0.3952 4.9051  -109.4000 1.03   -0.48  -0.09  -0.12  
1 1 1 44 8  17 o 10.287  0.3067 ?       ?         1.72   0.67   0.14   -0.07  
1 1 1 44 8  18 o 6.4013  0.3713 ?       ?         0.28   -0.80  -0.04  -0.02  
1 1 1 44 8  19 o 4.4333  0.5473 ?       ?         0.95   0.57   0.04   0.02   
1 1 1 44 8  20 o 5.2937  0.5643 ?       ?         -0.69  -1.15  0.01   0.04   
1 1 1 44 8  21 o 3.0126  1.4193 ?       ?         -0.25  0.00   0.00   0.00   
1 1 1 44 9  0  o 9.5603  0.2198 8.8834  0.0000    -0.59  0.00   0.00   0.00   
1 1 1 44 9  1  o 12.784  0.2406 13.449  -127.9000 -2.38  -1.79  -0.67  -0.53  
1 1 1 44 9  2  f 14.664  0.2990 13.220  37.600    -0.59  2.11   0.30   -0.01  
1 1 1 44 9  3  o 13.236  0.1463 13.798  -45.1000  1.66   -1.19  -1.97  -1.14  
1 1 1 44 9  4  o 7.0911  0.2809 6.7635  127.100   2.45   -1.10  -0.22  0.69   
1 1 1 44 9  5  o 8.3446  0.3733 8.1941  14.400    2.91   -0.41  -0.37  0.26   
1 1 1 44 9  6  o 8.3316  0.1733 7.7717  16.100    0.48   0.08   -0.03  -0.04  
1 1 1 44 9  7  o 10.441  0.1595 9.4277  10.300    0.33   0.60   0.25   0.24   
1 1 1 44 9  8  o 4.2698  0.6529 1.5043  -148.6000 -1.31  1.38   -0.04  0.18   
1 1 1 44 9  9  o 8.2965  0.3583 8.6464  127.400   -0.72  1.14   -0.00  0.12   
1 1 1 44 9  10 o 6.4909  0.2792 6.5531  134.800   -0.13  0.46   -0.00  0.05   
1 1 1 44 9  11 o 7.3293  0.2588 7.9529  93.200    0.80   1.56   -0.19  -0.46  
1 1 1 44 9  12 o 1.8219  0.7389 0.7570  26.800    -0.12  -0.05  -0.01  0.01   
1 1 1 44 9  13 o 6.1922  0.3196 5.2620  22.700    1.04   0.20   -0.10  0.10   
1 1 1 44 9  14 o 6.6280  0.3067 6.0457  15.700    0.22   -0.26  0.01   -0.03  
1 1 1 44 9  15 o 4.5606  0.4239 3.9888  -127.5000 0.12   -0.15  -0.01  0.00   
1 1 1 44 9  16 o 5.8858  1.2119 5.6327  161.600   -1.81  0.48   -0.03  0.05   
1 1 1 44 9  17 o 8.6986  0.2787 ?       ?         -0.47  -0.77  -0.05  0.03   
1 1 1 44 9  18 o 2.9025  0.6711 ?       ?         -0.03  0.41   -0.01  -0.01  
1 1 1 44 9  19 o 3.5705  0.7064 ?       ?         0.31   -0.13  -0.00  -0.00  
1 1 1 44 9  20 o 2.6738  1.2268 ?       ?         -0.10  0.11   0.00   -0.00  
1 1 1 44 9  21 o 4.4875  0.6750 ?       ?         0.68   -0.72  0.01   -0.01  
1 1 1 44 10 0  o 18.984  0.1852 17.572  -180.0000 -0.61  0.00   0.00   0.00   
1 1 1 44 10 1  o 5.9656  0.2179 3.9395  -44.3000  -0.40  -0.24  0.10   -0.14  
1 1 1 44 10 2  o 16.291  0.1332 15.955  -166.0000 -1.37  -0.64  0.86   1.20   
1 1 1 44 10 3  o 16.443  0.2685 17.560  84.400    -3.61  2.05   0.29   1.32   
1 1 1 44 10 4  o 7.6936  0.1955 6.4466  37.700    -0.07  -0.75  -1.06  0.41   
1 1 1 44 10 5  o 5.1563  0.5628 5.4249  138.700   2.29   1.93   -0.15  -0.35  
1 1 1 44 10 6  o 5.7569  0.3325 3.6576  67.900    -0.20  1.30   0.13   0.11   
1 1 1 44 10 7  o 14.623  0.1733 14.677  11.300    0.66   -1.86  0.01   0.54   
1 1 1 44 10 8  o 11.661  0.2546 10.933  108.800   -2.58  0.84   -0.65  -0.02  
1 1 1 44 10 9  f 3.4245  0.4259 3.8301  -22.6000  0.52   0.22   0.01   -0.10  
1 1 1 44 10 10 o 3.2183  0.5514 4.0002  0.0000    0.28   -0.18  0.01   0.02   
1 1 1 44 10 11 o 6.4646  0.2703 6.0557  138.500   0.40   -0.82  0.14   -0.02  
1 1 1 44 10 12 o 4.7420  0.3724 4.3349  -7.7000   0.62   0.03   0.19   -0.09  
1 1 1 44 10 13 o 2.8679  0.5400 3.7169  -34.9000  -0.05  -0.14  -0.01  0.01   
1 1 1 44 10 14 o 6.7386  0.3057 5.9397  97.800    -0.08  -0.30  0.00   0.02   
1 1 1 44 10 15 o 3.7859  0.4883 2.1929  -138.6000 0.02   0.26   -0.02  -0.01  
1 1 1 44 10 16 o 3.5009  0.5339 4.7534  105.200   0.02   0.10   -0.00  0.00   
1 1 1 44 10 17 o 4.6114  0.4742 ?       ?         0.49   0.17   0.02   0.01   
1 1 1 44 10 18 o 2.4799  0.7274 ?       ?         0.29   -0.05  0.01   -0.01  
1 1 1 44 10 19 o 5.5146  0.5146 ?       ?         1.34   0.04   0.03   0.04   
1 1 1 44 10 20 o 5.1233  1.0146 ?       ?         -1.54  -0.63  0.04   -0.04  
1 1 1 44 10 21 o 2.3935  1.0461 ?       ?         -0.22  0.22   0.00   -0.00  
1 1 1 44 11 0  o 2.6833  0.5472 0.5414  -180.0000 0.03   0.00   0.00   0.00   
1 1 1 44 11 1  o 9.9924  0.2229 9.7238  97.800    1.23   1.12   -0.21  -0.27  
1 1 1 44 11 2  o 17.648  0.1309 18.542  -66.7000  -0.89  -1.76  -1.59  -0.17  
1 1 1 44 11 3  o 11.412  0.1599 9.7723  47.400    0.51   -1.31  0.44   -0.08  
1 1 1 44 11 4  o 4.2177  0.3191 2.4112  96.700    0.54   -0.21  -0.08  0.01   
1 1 1 44 11 5  o 11.536  0.1568 14.326  -76.4000  -1.16  -0.02  -0.06  0.63   
1 1 1 44 11 6  o 7.4817  0.1991 7.9344  -145.9000 -0.26  -0.03  -0.02  0.02   
1 1 1 44 11 7  o 4.3668  0.3121 3.6341  -11.4000  -0.09  0.05   -0.01  -0.01  
1 1 1 44 11 8  o 5.8190  0.2891 3.1748  128.400   -0.67  0.31   -0.29  -0.18  
1 1 1 44 11 9  o 6.8676  0.3494 5.3236  17.500    0.14   -0.92  0.07   -0.03  
1 1 1 44 11 10 o 11.300  0.2347 9.8218  169.800   -1.05  1.50   -0.19  0.27   
1 1 1 44 11 11 o 13.313  0.3286 13.641  -10.6000  0.94   -1.68  -0.08  0.19   
1 1 1 44 11 12 o 7.4539  0.2569 6.1715  73.200    -0.45  0.14   0.06   0.04   
1 1 1 44 11 13 o 6.2151  0.3303 6.8267  -25.9000  0.62   0.37   0.03   0.15   
1 1 1 44 11 14 o 4.7762  0.3994 3.2818  -32.5000  0.54   -0.64  -0.12  0.01   
1 1 1 44 11 15 o 3.5622  0.5076 4.8059  -161.4000 -0.13  0.18   -0.01  -0.00  
1 1 1 44 11 16 o 5.4733  0.4096 6.2751  14.800    1.41   0.38   0.06   -0.14  
1 1 1 44 11 17 o 7.3835  0.3309 ?       ?         -0.27  -0.56  -0.02  0.01   
1 1 1 44 11 18 o 0.7512  0.9378 ?       ?         -0.25  -0.33  -0.03  0.02   
1 1 1 44 11 19 o 5.4797  0.5465 ?       ?         1.24   -0.24  0.04   -0.00  
1 1 1 44 11 20 o 6.3107  0.5676 ?       ?         -0.79  -0.33  0.01   -0.00  
1 1 1 44 11 21 o 5.3543  0.6166 ?       ?         -0.15  0.15   0.00   -0.00  
1 1 1 44 12 0  o 6.0498  0.2989 4.1626  0.0000    0.25   0.00   0.00   0.00   
1 1 1 44 12 1  o 2.3871  0.4340 1.6674  -129.6000 -0.16  0.33   -0.00  0.08   
1 1 1 44 12 2  o 8.9838  0.1801 7.8455  -106.7000 -0.51  -0.69  -0.56  1.00   
1 1 1 44 12 3  o 12.503  0.5500 11.452  -59.9000  0.07   -7.59  0.99   -0.24  
1 1 1 44 12 4  o 6.1595  0.2274 7.0623  90.000    0.08   -0.37  -0.34  -0.02  
1 1 1 44 12 5  o 6.7048  0.2201 6.9839  27.400    0.09   0.44   0.03   0.24   
1 1 1 44 12 6  o 6.3047  0.6601 4.5934  149.900   -2.75  -2.27  -0.00  -0.26  
1 1 1 44 12 7  o 6.9851  0.5823 8.6679  -61.1000  5.64   -3.45  -0.66  0.81   
1 1 1 44 12 8  o 18.500  0.1476 20.475  -145.3000 0.19   0.13   -0.00  0.02   
1 1 1 44 12 9  o 5.3547  0.2994 4.3855  128.500   -0.24  -0.19  0.07   0.03   
1 1 1 44 12 10 o 4.0536  0.5349 5.2224  103.800   -0.60  -0.05  -0.03  0.01   
1 1 1 44 12 11 o 8.4968  0.2315 7.7143  -166.0000 0.04   -0.31  -0.02  0.02   
1 1 1 44 12 12 o 7.1067  0.3723 5.9365  161.800   -0.40  0.05   -0.01  -0.01  
1 1 1 44 12 13 o 5.1064  0.4444 4.1973  -85.6000  0.90   -0.34  -0.08  -0.02  
1 1 1 44 12 14 o 8.3901  0.2555 8.0705  172.900   0.59   0.27   0.08   0.04   
1 1 1 44 12 15 o 7.9649  0.2782 7.0113  -50.1000  0.30   1.25   -0.20  0.17   
1 1 1 44 12 16 o 9.7437  0.2532 10.771  -177.1000 -0.45  -0.04  0.01   0.02   
1 1 1 44 12 17 o 4.8085  0.4662 ?       ?         -0.42  -0.24  0.01   0.02   
1 1 1 44 12 18 o 5.1375  0.4800 ?       ?         -0.06  0.50   -0.01  -0.01  
1 1 1 44 12 19 o 2.0418  1.0108 ?       ?         -0.14  -0.15  0.00   0.00   
1 1 1 44 12 20 f 3.1606  0.8850 ?       ?         0.93   0.49   0.01   0.02   
1 1 1 44 12 21 o 4.2965  0.7884 ?       ?         1.07   -0.52  0.01   -0.00  
1 1 1 44 13 0  o 1.6733  0.6931 3.2224  0.0000    0.05   0.00   0.00   0.00   
1 1 1 44 13 1  o 11.750  0.2859 12.100  -7.2000   2.10   -0.08  -0.24  0.15   
1 1 1 44 13 2  o 13.092  0.1369 14.636  71.100    0.23   1.86   -2.06  2.42   
1 1 1 44 13 3  o 4.6339  0.2626 4.1394  39.300    0.12   -0.05  0.02   0.02   
1 1 1 44 13 4  o 6.2567  0.2117 5.4712  179.000   0.94   0.02   -0.23  -0.33  
1 1 1 44 13 5  o 7.1588  0.2045 4.2050  33.800    -0.01  -0.20  -0.01  -0.04  
1 1 1 44 13 6  o 3.4483  0.3522 3.5107  174.400   0.01   0.20   -0.11  -0.03  
1 1 1 44 13 7  o 9.7981  0.2069 7.4451  -132.9000 -0.58  -1.51  0.36   0.00   
1 1 1 44 13 8  o 18.488  0.4329 19.586  -114.0000 0.68   -5.95  0.68   0.66   
1 1 1 44 13 9  f 15.011  0.1986 15.432  -122.3000 0.88   -3.09  -0.37  1.16   
1 1 1 44 13 10 o 4.5707  0.3556 3.6962  -48.2000  0.22   -0.62  -0.04  0.12   
1 1 1 44 13 11 o 2.2192  1.0272 1.0454  -154.7000 0.08   -0.03  -0.00  -0.00  
1 1 1 44 13 12 o 16.747  0.3004 18.016  160.500   -1.93  -1.67  0.31   -0.10  
1 1 1 44 13 13 o 4.4588  0.9118 5.0225  43.600    0.87   1.80   0.13   -0.05  
1 1 1 44 13 14 o 4.4647  0.4398 4.1134  161.000   -0.37  -0.29  -0.03  0.01   
1 1 1 44 13 15 o 3.3985  0.5631 2.6575  167.200   -0.54  0.10   -0.00  0.03   
1 1 1 44 13 16 o 2.6050  1.2104 1.6232  95.300    -0.68  0.11   -0.04  -0.05  
1 1 1 44 13 17 o 0.7376  0.9136 ?       ?         0.08   0.24   -0.01  -0.01  
1 1 1 44 13 18 o 6.7502  0.4219 ?       ?         0.37   -0.64  0.00   -0.02  
1 1 1 44 13 19 o 2.0246  0.9574 ?       ?         0.13   0.11   0.00   0.00   
1 1 1 44 13 20 o 2.9136  0.9008 ?       ?         0.63   0.27   0.01   0.01   
1 1 1 44 13 21 o 4.6279  1.9507 ?       ?         -0.91  0.40   0.01   0.01   
1 1 1 44 14 0  o 7.3959  0.2547 6.7345  -0.0000   0.27   0.00   0.00   0.00   
1 1 1 44 14 1  o 4.1264  0.2869 3.3336  -56.2000  0.21   -0.52  0.18   -0.78  
1 1 1 44 14 2  o 10.403  0.1597 10.260  -60.0000  0.08   0.36   0.04   0.06   
1 1 1 44 14 3  o 9.5274  0.2105 9.6852  -49.0000  -0.41  -1.15  0.05   -0.19  
1 1 1 44 14 4  o 7.0746  0.3223 6.1581  25.900    3.45   -0.98  -0.56  0.79   
1 1 1 44 14 5  o 2.1812  0.4810 1.9564  -128.0000 -0.14  -0.13  0.05   -0.02  
1 1 1 44 14 6  f 9.6280  0.3868 9.0584  -99.8000  1.58   -4.92  0.59   0.82   
1 1 1 44 14 7  o 12.297  0.2351 12.900  56.200    -2.21  5.81   0.60   3.33   
1 1 1 44 14 8  o 13.330  0.2560 13.856  -138.0000 -3.65  0.72   -0.10  1.30   
1 1 1 44 14 9  o 7.6115  0.3347 8.0924  -104.8000 0.45   0.05   -0.01  0.01   
1 1 1 44 14 10 o 4.2168  0.3896 3.0745  -35.5000  0.25   -0.26  0.02   0.01   
1 1 1 44 14 11 o 5.2246  0.4350 4.5120  -62.4000  0.71   0.43   0.01   -0.05  
1 1 1 44 14 12 o 3.1977  0.4970 3.2884  153.200   -0.44  0.20   0.06   -0.10  
1 1 1 44 14 13 o 3.2185  0.5041 2.5268  -27.5000  0.09   0.14   -0.01  -0.00  
1 1 1 44 14 14 o 7.9995  0.7329 7.8507  125.500   -2.31  1.10   -0.14  0.03   
1 1 1 44 14 15 o 4.6845  0.4199 4.5382  -103.5000 -0.35  -0.03  0.02   0.01   
1 1 1 44 14 16 o 4.8840  0.4114 5.1470  -28.0000  -0.03  0.40   -0.03  -0.00  
1 1 1 44 14 17 o 4.2303  1.2265 ?       ?         -0.98  0.90   0.05   0.05   
1 1 1 44 14 18 o 5.0825  0.5385 ?       ?         -0.79  0.42   -0.00  -0.03  
1 1 1 44 14 19 o 5.8374  0.5309 ?       ?         -1.03  -0.35  0.03   0.01   
1 1 1 44 14 20 o 4.6295  0.6703 ?       ?         1.38   0.28   0.02   0.01   
1 1 1 44 15 0  o 7.6158  0.2785 5.6999  -0.0000   0.31   0.00   0.00   0.00   
1 1 1 44 15 1  f 14.040  0.2136 12.473  18.400    1.46   -0.37  -0.22  -0.05  
1 1 1 44 15 2  o 6.3320  0.2086 4.3789  -8.2000   0.08   0.04   0.00   -0.00  
1 1 1 44 15 3  o 10.079  0.1566 9.9698  -74.0000  -0.41  -0.00  0.01   -0.11  
1 1 1 44 15 4  o 17.008  0.1466 16.293  -120.3000 -2.17  -0.46  -0.41  1.13   
1 1 1 44 15 5  o 5.1425  0.2679 6.0014  -82.8000  0.16   -0.05  0.02   -0.06  
1 1 1 44 15 6  o 6.5538  0.2266 5.7469  -5.4000   1.25   -0.10  -0.23  -0.10  
1 1 1 44 15 7  f 1.4274  0.6694 1.1586  -139.7000 -0.03  0.01   0.00   0.00   
1 1 1 44 15 8  o 7.1273  0.2426 7.6182  104.000   -1.21  -0.53  -0.31  0.05   
1 1 1 44 15 9  o 7.9484  0.5321 8.7320  -82.8000  -1.40  -2.33  0.18   -0.13  
1 1 1 44 15 10 o 7.0650  0.2563 7.1575  -151.8000 0.08   -0.99  0.03   0.17   
1 1 1 44 15 11 o 7.3147  0.3921 6.7558  17.000    0.11   1.37   0.10   0.07   
1 1 1 44 15 12 o 7.5967  0.2852 8.0117  67.100    -0.10  1.50   0.05   0.23   
1 1 1 44 15 13 f 3.9374  0.4669 4.4797  133.800   -0.14  -0.21  -0.01  0.02   
1 1 1 44 15 14 o 5.6523  0.4336 5.5818  44.800    1.05   0.70   -0.12  -0.00  
1 1 1 44 15 15 o 3.5619  0.5079 3.1957  -3.5000   0.44   -0.35  0.04   0.00   
1 1 1 44 15 16 o 7.7367  0.7492 ?       ?         -2.66  1.41   -0.19  -0.04  
1 1 1 44 15 17 o 6.5556  0.3857 ?       ?         1.14   0.72   0.07   0.02   
1 1 1 44 15 18 o 3.4231  0.6501 ?       ?         0.02   -0.09  -0.00  -0.00  
1 1 1 44 15 19 o 2.1208  1.0661 ?       ?         -0.53  0.21   0.00   -0.02  
1 1 1 44 15 20 o 3.8738  0.7660 ?       ?         -0.52  0.39   0.01   -0.00  
1 1 1 44 16 0  o 0.0000  1.8166 1.8435  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 44 16 1  o 6.1342  0.2887 6.6264  -126.7000 -1.32  -0.04  -0.16  0.06   
1 1 1 44 16 2  o 11.069  0.1462 11.726  66.700    -0.47  1.21   -0.40  0.61   
1 1 1 44 16 3  o 13.411  0.1406 11.086  23.100    0.16   0.55   -0.20  -0.05  
1 1 1 44 16 4  o 9.9130  0.1505 11.887  -13.7000  0.79   0.07   0.35   -0.53  
1 1 1 44 16 5  o 4.2425  0.3021 3.8443  -54.2000  0.36   -0.20  -0.19  -0.14  
1 1 1 44 16 6  o 8.0320  0.2963 8.4206  -129.4000 0.07   -1.26  0.11   0.08   
1 1 1 44 16 7  o 11.111  0.3423 11.005  55.800    3.78   1.14   -0.88  0.08   
1 1 1 44 16 8  o 8.2698  0.2235 8.3387  133.200   -0.36  0.21   -0.05  -0.04  
1 1 1 44 16 9  o 16.345  0.1550 14.588  83.700    0.65   0.07   0.09   0.03   
1 1 1 44 16 10 o 6.1348  0.2730 5.7628  -74.5000  0.01   -0.55  -0.16  -0.09  
1 1 1 44 16 11 o 9.4473  0.2113 8.1784  63.800    0.27   -0.81  -0.18  -0.06  
1 1 1 44 16 12 o 6.0973  0.3218 5.3879  57.500    -0.55  0.89   0.14   -0.06  
1 1 1 44 16 13 o 7.7651  0.2622 7.3749  -29.0000  -0.16  0.48   -0.02  -0.05  
1 1 1 44 16 14 o 4.3642  0.4251 5.4343  -122.2000 0.05   0.49   -0.04  -0.02  
1 1 1 44 16 15 o 9.8206  0.2496 9.9783  0.4000    0.47   -0.66  -0.01  -0.07  
1 1 1 44 16 16 o 8.2979  0.2958 ?       ?         1.26   -1.14  -0.08  -0.15  
1 1 1 44 16 17 o 5.7347  0.4288 ?       ?         1.32   0.26   0.04   0.07   
1 1 1 44 16 18 o 4.1235  0.6340 ?       ?         -0.15  -0.10  -0.00  0.00   
1 1 1 44 16 19 o 5.0302  0.6392 ?       ?         1.14   -0.16  0.02   0.01   
1 1 1 44 16 20 f 4.1192  1.5281 ?       ?         0.47   -0.41  0.01   -0.00  
1 1 1 44 17 0  o 9.7775  0.2004 12.858  180.000   -0.84  0.00   0.00   0.00   
1 1 1 44 17 1  f 16.846  0.1289 14.210  -14.6000  0.71   -1.44  0.13   -1.11  
1 1 1 44 17 2  o 16.147  0.1480 16.889  -179.8000 -0.73  0.09   -0.02  0.09   
1 1 1 44 17 3  o 4.3394  0.2719 4.3305  34.900    -0.39  0.10   0.02   0.15   
1 1 1 44 17 4  o 8.4375  0.2566 8.2473  -5.6000   -0.87  -0.04  -0.06  -0.04  
1 1 1 44 17 5  f 8.8364  0.1707 6.9185  151.600   -1.13  -1.24  0.39   -0.33  
1 1 1 44 17 6  o 0.8365  0.7212 2.5460  -111.0000 -0.08  -0.20  -0.01  -0.06  
1 1 1 44 17 7  o 4.8800  0.2664 6.4078  145.300   0.19   -0.40  0.09   -0.07  
1 1 1 44 17 8  o 8.2419  0.3002 7.8028  -44.0000  0.47   -2.63  0.55   -0.24  
1 1 1 44 17 9  o 12.232  0.3148 11.585  -119.8000 0.02   -1.40  0.06   0.09   
1 1 1 44 17 10 o 4.2351  0.3942 4.9445  -64.9000  0.11   -0.26  0.01   -0.01  
1 1 1 44 17 11 o 4.6251  0.3497 4.9754  92.900    0.13   0.23   -0.02  -0.01  
1 1 1 44 17 12 o 6.8626  0.2879 6.5619  -104.7000 -0.16  -0.60  -0.02  0.09   
1 1 1 44 17 13 o 2.4389  0.5938 3.2613  23.800    -0.28  0.02   0.02   0.02   
1 1 1 44 17 14 o 2.7262  0.8422 1.2821  -120.1000 -0.01  0.32   0.01   0.01   
1 1 1 44 17 15 o 6.0215  0.3807 6.3037  -25.9000  0.57   -0.44  0.01   -0.06  
1 1 1 44 17 16 o 2.7319  1.2535 ?       ?         -0.24  0.24   0.01   -0.00  
1 1 1 44 17 17 o 8.5301  0.3464 ?       ?         1.05   0.48   0.04   0.01   
1 1 1 44 17 18 o 3.1828  1.4267 ?       ?         -0.22  0.11   0.00   0.00   
1 1 1 44 17 19 o 7.4536  0.4627 ?       ?         -0.50  0.40   -0.00  -0.01  
1 1 1 44 17 20 o 1.1135  1.1613 ?       ?         0.39   -0.32  -0.00  -0.01  
1 1 1 44 18 0  o 5.6657  0.2773 4.5559  -180.0000 -0.06  0.00   0.00   0.00   
1 1 1 44 18 1  o 9.4058  0.1493 8.7265  173.900   -1.01  -0.23  0.97   -0.70  
1 1 1 44 18 2  o 11.619  0.1379 11.809  -88.4000  -0.27  0.01   -0.01  0.02   
1 1 1 44 18 3  o 4.7278  0.2431 6.2265  -121.1000 0.11   -1.61  0.40   0.30   
1 1 1 44 18 4  o 10.842  0.3104 10.140  124.800   2.10   2.35   -0.19  -0.49  
1 1 1 44 18 5  o 7.7884  0.1831 7.5451  79.100    -0.44  0.04   0.17   -0.18  
1 1 1 44 18 6  o 3.2889  0.6728 3.2698  45.600    -0.94  0.29   -0.06  0.01   
1 1 1 44 18 7  o 5.3505  0.5134 5.4483  93.600    -0.52  -0.64  0.02   -0.03  
1 1 1 44 18 8  o 3.1952  0.3986 3.3934  41.900    0.06   0.20   -0.03  0.03   
1 1 1 44 18 9  o 0.9879  0.7488 2.8117  173.700   0.12   -0.08  -0.02  -0.01  
1 1 1 44 18 10 o 0.0000  1.5572 ?       ?         0.00   0.18   0.01   -0.03  
1 1 1 44 18 11 o 4.6474  0.3444 4.8245  -86.9000  0.33   -0.18  0.01   -0.06  
1 1 1 44 18 12 o 5.9810  0.3185 6.5646  -104.5000 0.49   -1.00  -0.06  -0.29  
1 1 1 44 18 13 o 8.2557  0.2472 7.7470  -59.3000  0.82   -0.64  -0.10  -0.03  
1 1 1 44 18 14 o 9.5356  0.2510 8.7645  -119.9000 -2.45  0.13   0.15   0.36   
1 1 1 44 18 15 o 6.5518  0.3407 7.4896  -99.2000  0.05   -0.22  -0.01  -0.00  
1 1 1 44 18 16 o 7.1081  0.3358 ?       ?         0.51   -1.42  -0.14  0.02   
1 1 1 44 18 17 o 2.7662  1.2615 ?       ?         0.22   0.05   -0.00  0.00   
1 1 1 44 18 18 o 4.5065  1.0515 ?       ?         0.81   -0.36  -0.02  -0.02  
1 1 1 44 18 19 o 2.5171  0.9431 ?       ?         0.70   0.21   0.01   0.00   
1 1 1 44 18 20 f 2.3887  1.0023 ?       ?         -0.75  -1.18  -0.03  0.02   
1 1 1 44 19 0  o 5.9666  0.2569 2.5922  -180.0000 -0.12  0.00   0.00   0.00   
1 1 1 44 19 1  o 4.6174  0.2308 3.3282  102.400   0.00   -0.21  0.02   -0.04  
1 1 1 44 19 2  o 5.9336  0.1892 7.5871  -18.9000  0.21   -0.37  -0.22  0.13   
1 1 1 44 19 3  o 3.7418  0.2850 4.7220  52.600    0.22   0.31   0.08   -0.02  
1 1 1 44 19 4  o 13.920  0.1392 13.489  157.500   -1.61  -0.47  0.06   -0.49  
1 1 1 44 19 5  o 5.5506  0.2332 5.7698  26.000    0.30   -0.67  -0.13  0.21   
1 1 1 44 19 6  o 5.5723  0.2352 5.6486  72.100    -0.25  0.02   0.07   0.01   
1 1 1 44 19 7  o 3.0536  0.5184 3.6665  126.300   0.41   -0.27  -0.02  0.01   
1 1 1 44 19 8  o 3.1712  0.4048 2.9113  97.000    -0.81  0.33   -0.21  -0.09  
1 1 1 44 19 9  o 5.4867  0.2960 5.7326  82.300    1.80   -0.85  0.29   0.58   
1 1 1 44 19 10 o 9.4202  0.3300 9.9206  130.900   0.15   2.14   0.17   0.24   
1 1 1 44 19 11 o 4.8304  0.3686 5.5947  -123.3000 -0.21  0.37   0.03   -0.01  
1 1 1 44 19 12 o 5.1210  0.4791 5.7727  -101.1000 -0.37  -0.50  -0.02  -0.02  
1 1 1 44 19 13 o 1.3620  0.7455 1.5070  -169.6000 -0.10  0.16   -0.01  -0.02  
1 1 1 44 19 14 o 3.3630  0.6575 2.0681  86.000    -0.10  0.20   0.00   -0.00  
1 1 1 44 19 15 o 4.7126  0.4591 ?       ?         -0.95  0.85   -0.02  -0.12  
1 1 1 44 19 16 o 2.1567  0.8253 ?       ?         0.40   -0.36  -0.03  -0.03  
1 1 1 44 19 17 o 6.3560  0.4492 ?       ?         -1.92  -0.51  0.00   0.10   
1 1 1 44 19 18 o 6.1368  0.5283 ?       ?         -0.68  -1.26  0.01   0.04   
1 1 1 44 19 19 o 1.5690  1.1310 ?       ?         -0.00  -0.25  -0.00  0.00   
1 1 1 44 19 20 o 3.5132  0.9322 ?       ?         -0.67  -0.36  0.00   0.00   
1 1 1 44 20 0  o 14.950  0.2110 15.641  -0.0000   -0.48  0.00   0.00   0.00   
1 1 1 44 20 1  o 8.9268  0.2173 8.7529  -106.7000 1.61   1.88   -1.80  -0.67  
1 1 1 44 20 2  o 3.4265  0.7320 1.8592  57.200    -0.42  0.95   0.03   0.02   
1 1 1 44 20 3  o 8.5678  0.2537 8.9735  -23.6000  3.94   -0.03  -1.08  -0.54  
1 1 1 44 20 4  o 2.4671  0.3713 2.3083  80.200    -0.16  0.12   0.03   0.03   
1 1 1 44 20 5  o 7.0921  0.1860 8.9673  76.400    0.11   0.76   0.11   0.19   
1 1 1 44 20 6  o 2.3741  0.4336 4.2360  38.400    -0.07  0.16   -0.01  0.02   
1 1 1 44 20 7  o 9.2137  0.2059 8.7834  20.100    2.38   -1.71  -0.98  0.33   
1 1 1 44 20 8  o 5.4985  0.2467 4.7585  -40.2000  0.37   -0.27  0.12   -0.02  
1 1 1 44 20 9  f 2.1105  0.5403 1.2626  -86.3000  -0.08  -0.11  -0.01  -0.00  
1 1 1 44 20 10 o 9.6736  0.1993 9.8456  83.900    -0.10  0.34   -0.03  -0.00  
1 1 1 44 20 11 o 5.6490  0.2965 4.2253  -139.1000 -0.20  0.56   -0.09  0.03   
1 1 1 44 20 12 o 2.2552  0.5894 3.5602  -127.1000 0.36   0.05   0.05   -0.03  
1 1 1 44 20 13 o 2.3130  0.7088 2.3563  -175.8000 0.06   0.42   -0.00  -0.03  
1 1 1 44 20 14 o 5.3214  0.3866 5.1715  28.500    0.76   -0.77  0.10   -0.04  
1 1 1 44 20 15 o 2.4508  0.6996 ?       ?         0.03   0.03   -0.00  0.00   
1 1 1 44 20 16 o 8.8565  0.3135 ?       ?         -1.46  -0.66  0.04   0.06   
1 1 1 44 20 17 o 7.7290  0.4256 ?       ?         0.32   -0.44  -0.00  -0.00  
1 1 1 44 20 18 o 2.7090  1.2738 ?       ?         -0.39  0.09   0.01   0.00   
1 1 1 44 20 19 o 4.9150  0.7315 ?       ?         0.21   0.19   -0.00  0.00   
1 1 1 44 21 0  o 10.276  0.2424 10.522  -180.0000 -0.43  0.00   0.00   0.00   
1 1 1 44 21 1  o 8.0343  0.2171 7.6174  -87.8000  0.46   0.55   -0.33  0.08   
1 1 1 44 21 2  o 13.898  0.2992 15.152  178.900   -4.34  2.13   -1.30  0.27   
1 1 1 44 21 3  o 3.8246  0.2904 3.5313  -43.1000  0.36   -0.91  0.29   -0.04  
1 1 1 44 21 4  o 7.4422  0.1787 7.5924  78.000    0.66   -0.01  0.32   0.15   
1 1 1 44 21 5  o 3.2726  0.3019 2.4001  139.400   -0.07  -0.27  -0.02  -0.06  
1 1 1 44 21 6  o 5.6393  0.2294 4.9007  -65.6000  -0.56  0.50   -0.32  -0.15  
1 1 1 44 21 7  o 14.104  0.1375 14.989  165.300   -1.28  0.07   0.18   0.24   
1 1 1 44 21 8  o 2.5465  0.4704 2.9957  20.700    -0.26  -0.31  0.03   -0.01  
1 1 1 44 21 9  o 3.1727  0.4720 3.9024  -5.9000   0.43   -0.12  -0.02  -0.01  
1 1 1 44 21 10 o 6.7850  0.2587 7.9056  170.700   0.47   -0.15  0.04   -0.06  
1 1 1 44 21 11 o 1.8131  0.6628 0.8905  -156.9000 -0.09  0.20   -0.01  -0.02  
1 1 1 44 21 12 o 5.1128  0.3378 5.8596  -67.5000  -0.07  -0.39  -0.02  0.03   
1 1 1 44 21 13 o 2.6822  0.6077 3.7158  -19.3000  0.30   0.30   0.03   0.01   
1 1 1 44 21 14 o 2.1076  0.7447 2.7305  -20.3000  0.06   -0.10  -0.00  -0.00  
1 1 1 44 21 15 o 2.8341  0.6735 ?       ?         -0.21  -0.28  0.01   0.01   
1 1 1 44 21 16 o 4.5861  0.8310 ?       ?         0.26   0.48   0.01   0.01   
1 1 1 44 21 17 f 2.2009  0.8928 ?       ?         -0.26  0.03   0.00   0.00   
1 1 1 44 21 18 o 7.5151  0.6069 ?       ?         -0.32  1.03   -0.01  -0.00  
1 1 1 44 21 19 o 2.0244  1.2352 ?       ?         0.96   -0.08  0.02   0.00   
1 1 1 44 22 0  o 5.9582  0.3854 4.8458  -180.0000 0.12   0.00   0.00   0.00   
1 1 1 44 22 1  o 4.0313  0.5216 4.2909  -40.9000  1.37   1.45   0.18   -0.25  
1 1 1 44 22 2  o 4.7830  0.5425 3.3132  -140.4000 -0.47  -1.68  0.18   -0.01  
1 1 1 44 22 3  o 5.2441  0.2984 3.2692  -77.1000  -0.33  -0.61  -0.06  -0.10  
1 1 1 44 22 4  f 10.175  0.1575 7.4360  -132.2000 0.30   -0.53  0.06   -0.11  
1 1 1 44 22 5  o 3.3836  0.5886 3.4029  145.200   -1.70  -0.64  -0.09  -0.22  
1 1 1 44 22 6  o 5.3535  0.3492 6.5686  165.200   -0.40  -1.76  0.12   -0.21  
1 1 1 44 22 7  o 7.3480  0.3976 7.1310  -35.4000  -0.38  -1.84  0.09   -0.14  
1 1 1 44 22 8  o 2.8104  0.4203 3.5559  29.700    -0.18  0.11   0.02   0.00   
1 1 1 44 22 9  o 4.4958  0.3348 4.7213  146.000   0.00   0.13   0.00   0.00   
1 1 1 44 22 10 o 5.5978  0.2858 5.6073  59.000    0.87   -0.23  -0.07  -0.06  
1 1 1 44 22 11 o 2.0407  0.6075 1.0370  49.500    -0.08  -0.20  -0.02  0.00   
1 1 1 44 22 12 o 8.2371  0.2444 8.1642  172.300   0.25   -0.88  0.01   -0.08  
1 1 1 44 22 13 o 3.1124  0.7232 2.0354  107.000   0.29   -0.25  -0.01  0.00   
1 1 1 44 22 14 o 1.9908  0.7502 ?       ?         0.11   0.22   0.00   0.01   
1 1 1 44 22 15 o 7.0648  0.3503 ?       ?         -0.20  0.44   -0.00  -0.01  
1 1 1 44 22 16 o 5.0295  0.5320 ?       ?         0.25   0.77   -0.02  0.01   
1 1 1 44 22 17 o 2.4781  1.1602 ?       ?         -0.23  -0.41  -0.01  0.00   
1 1 1 44 22 18 o 3.3294  0.9030 ?       ?         -0.63  -0.05  0.00   0.00   
1 1 1 44 22 19 o 3.6546  1.5322 ?       ?         0.41   0.56   -0.00  0.00   
1 1 1 44 23 0  o 12.806  0.2527 14.766  -0.0000   0.51   0.00   0.00   0.00   
1 1 1 44 23 1  o 3.8448  0.7411 3.6982  -161.9000 -0.17  -0.66  0.02   -0.00  
1 1 1 44 23 2  o 7.0048  0.2237 7.3880  121.300   -0.10  0.46   0.00   0.04   
1 1 1 44 23 3  o 8.1768  0.2108 8.9139  -173.8000 0.22   0.15   0.01   -0.01  
1 1 1 44 23 4  o 11.137  0.2960 10.209  -106.9000 1.76   -1.64  -0.30  0.21   
1 1 1 44 23 5  o 2.5642  0.3915 3.6072  92.500    0.04   0.24   -0.00  0.05   
1 1 1 44 23 6  o 2.9563  0.3933 2.3984  -120.8000 0.35   0.35   -0.06  -0.03  
1 1 1 44 23 7  o 2.0803  0.4572 0.8141  179.000   -0.37  -0.74  0.26   0.03   
1 1 1 44 23 8  o 8.3422  0.1784 7.4712  -99.5000  -0.08  -1.47  -0.11  0.43   
1 1 1 44 23 9  f 3.4026  0.3956 3.8393  0.8000    -0.35  -0.23  -0.03  0.00   
1 1 1 44 23 10 o 4.3560  0.4318 4.6874  -142.3000 -0.62  -0.88  0.09   -0.01  
1 1 1 44 23 11 o 0.4069  0.7072 1.0965  -92.3000  0.10   -0.19  0.00   -0.04  
1 1 1 44 23 12 o 3.4096  0.4978 3.9743  142.300   -0.53  0.22   0.02   -0.06  
1 1 1 44 23 13 o 6.3017  0.4945 6.6984  -55.9000  0.56   0.53   0.03   -0.01  
1 1 1 44 23 14 o 3.4745  0.5208 ?       ?         -0.13  -0.36  -0.01  -0.01  
1 1 1 44 23 15 o 0.0000  1.8437 ?       ?         0.12   -0.33  -0.01  -0.02  
1 1 1 44 23 16 o 1.5363  1.1461 ?       ?         0.13   0.44   -0.01  0.01   
1 1 1 44 23 17 o 8.1626  0.4715 ?       ?         2.12   0.96   0.07   0.04   
1 1 1 44 23 18 o 0.0000  2.4950 ?       ?         0.21   -0.36  -0.00  -0.00  
1 1 1 44 23 19 f 3.8066  0.9694 ?       ?         0.46   0.12   0.00   0.00   
1 1 1 44 24 0  f 21.513  0.6844 15.343  -0.0000   0.60   0.00   0.00   0.00   
1 1 1 44 24 1  o 6.0340  0.4525 7.1773  -58.5000  5.81   0.30   -1.35  -1.06  
1 1 1 44 24 2  o 9.6136  0.5140 8.3780  178.200   -1.78  -0.32  -0.05  -0.06  
1 1 1 44 24 3  o 11.127  0.7652 10.769  154.200   -8.09  6.52   -0.58  0.94   
1 1 1 44 24 4  o 6.2851  0.2651 8.4862  -34.7000  1.74   -0.03  -0.19  -0.34  
1 1 1 44 24 5  o 1.6154  0.8013 0.2829  -163.8000 0.20   0.14   0.01   -0.02  
1 1 1 44 24 6  o 3.3033  0.3392 2.6305  -145.5000 -0.31  -0.61  0.07   -0.00  
1 1 1 44 24 7  o 5.6972  0.2094 6.3118  -91.4000  0.56   0.19   -0.06  0.02   
1 1 1 44 24 8  o 7.4972  0.4162 8.7019  -172.5000 -0.15  2.41   0.21   -0.16  
1 1 1 44 24 9  o 6.0945  0.2405 5.1149  -178.9000 -0.68  0.23   -0.04  -0.11  
1 1 1 44 24 10 o 7.4111  0.2241 6.6262  -23.0000  1.30   -0.10  -0.05  -0.17  
1 1 1 44 24 11 o 4.7297  0.5809 4.7686  125.700   -0.09  0.05   -0.00  0.00   
1 1 1 44 24 12 o 2.6589  0.5714 1.9053  105.300   -0.71  0.43   0.12   -0.05  
1 1 1 44 24 13 o 2.2543  0.6530 2.9548  125.300   -0.21  0.22   -0.01  -0.02  
1 1 1 44 24 14 f 4.9496  0.5994 ?       ?         0.30   0.78   -0.01  -0.02  
1 1 1 44 24 15 o 7.3700  0.3669 ?       ?         0.38   0.30   -0.00  0.01   
1 1 1 44 24 16 o 4.2193  1.5398 ?       ?         0.44   -0.71  -0.02  0.01   
1 1 1 44 24 17 o 2.6748  1.0599 ?       ?         -0.29  0.24   0.00   -0.00  
1 1 1 44 24 18 o 2.5940  1.2266 ?       ?         -0.24  -0.12  0.00   0.00   
1 1 1 44 25 0  o 6.0663  0.3131 6.7670  180.000   -0.35  0.00   0.00   0.00   
1 1 1 44 25 1  o 2.8279  0.3974 3.1496  6.0000    0.35   -0.38  0.14   -0.01  
1 1 1 44 25 2  o 6.9246  0.4475 6.1098  -119.4000 0.10   0.39   0.01   0.00   
1 1 1 44 25 3  o 10.679  0.1671 8.4835  -122.5000 -1.20  -0.77  0.49   0.22   
1 1 1 44 25 4  o 3.4753  0.4458 4.8024  -163.0000 -0.61  0.11   -0.02  0.04   
1 1 1 44 25 5  o 8.2504  0.4460 7.5785  80.800    1.75   3.02   -0.05  -0.41  
1 1 1 44 25 6  o 6.7575  0.1781 6.6945  -96.8000  -1.21  -0.72  -0.42  0.11   
1 1 1 44 25 7  o 0.6088  0.7154 0.6456  -73.6000  0.34   -0.21  0.02   0.05   
1 1 1 44 25 8  o 4.5930  0.2706 5.4465  9.4000    1.02   0.12   0.30   -0.21  
1 1 1 44 25 9  o 8.5059  0.1783 7.6725  153.700   -0.78  -1.40  0.25   0.25   
1 1 1 44 25 10 o 3.6133  0.4011 3.2463  -13.7000  -0.21  -0.18  0.01   0.00   
1 1 1 44 25 11 o 1.6263  0.7676 1.9817  5.7000    -0.05  0.24   -0.01  0.02   
1 1 1 44 25 12 o 2.3672  1.1094 2.6990  174.500   -0.31  -0.32  0.02   -0.01  
1 1 1 44 25 13 o 0.5852  0.8557 ?       ?         0.12   0.21   -0.01  0.01   
1 1 1 44 25 14 o 4.7095  0.4952 ?       ?         -0.67  -0.63  -0.03  0.02   
1 1 1 44 25 15 o 8.1873  0.5547 ?       ?         1.51   -0.01  0.02   -0.02  
1 1 1 44 25 16 o 4.3477  1.4335 ?       ?         -0.68  0.69   -0.02  -0.01  
1 1 1 44 25 17 o 6.2444  0.8344 ?       ?         1.03   -0.48  0.00   -0.00  
1 1 1 44 25 18 o 0.7012  1.3062 ?       ?         0.15   0.13   -0.00  0.00   
1 1 1 44 26 0  o 9.6747  0.4490 10.423  0.0000    0.21   0.00   0.00   0.00   
1 1 1 44 26 1  o 8.5623  0.2895 9.2258  179.500   -0.62  -1.58  0.15   0.38   
1 1 1 44 26 2  o 3.8370  1.6290 3.0543  64.500    0.47   -0.28  -0.01  0.01   
1 1 1 44 26 3  o 3.8821  0.6756 3.6303  -169.0000 -0.93  -1.91  0.13   -0.08  
1 1 1 44 26 4  o 6.8398  0.2162 7.5082  -168.3000 0.88   0.11   -0.05  0.16   
1 1 1 44 26 5  o 4.4746  0.3227 4.4570  37.200    -0.26  -0.41  0.05   0.04   
1 1 1 44 26 6  o 4.0746  0.3682 4.5246  -30.2000  -0.08  0.20   -0.01  -0.02  
1 1 1 44 26 7  o 5.0262  0.3791 7.0037  105.000   0.47   1.07   -0.01  -0.10  
1 1 1 44 26 8  o 2.4083  0.6316 2.5140  -40.3000  -0.01  0.30   0.01   -0.02  
1 1 1 44 26 9  o 2.5438  0.4493 0.5544  -179.8000 0.09   0.24   -0.02  0.02   
1 1 1 44 26 10 o 2.9551  0.4501 2.2183  -20.6000  0.13   0.02   0.00   -0.00  
1 1 1 44 26 11 o 7.5798  0.3275 7.7970  -89.3000  -0.14  0.02   0.00   0.00   
1 1 1 44 26 12 o 7.2796  0.6767 6.5996  63.300    -0.07  -1.13  0.01   -0.03  
1 1 1 44 26 13 f 3.2908  0.6458 ?       ?         -0.15  0.41   -0.01  0.01   
1 1 1 44 26 14 o 5.5221  0.5409 ?       ?         -1.57  -0.02  0.03   0.04   
1 1 1 44 26 15 o 5.6128  0.6373 ?       ?         -0.35  -0.41  -0.00  0.00   
1 1 1 44 26 16 o 3.4901  0.9826 ?       ?         -0.09  -0.30  -0.00  0.00   
1 1 1 44 26 17 o 0.0000  2.7502 ?       ?         -0.21  0.60   -0.00  -0.01  
1 1 1 44 26 18 o 1.7485  1.6175 ?       ?         1.04   -0.04  -0.00  0.00   
1 1 1 44 27 0  o 7.7782  0.4833 8.7288  180.000   -0.02  0.00   0.00   0.00   
1 1 1 44 27 1  o 1.0958  0.9351 3.1266  -25.7000  0.18   -0.09  0.02   -0.01  
1 1 1 44 27 2  o 5.2294  0.4858 4.3220  115.400   -0.02  -0.09  -0.00  0.00   
1 1 1 44 27 3  o 4.2388  0.7679 3.5559  -75.1000  -0.08  -0.69  0.02   0.01   
1 1 1 44 27 4  f 9.8630  0.3325 8.9602  -9.2000   0.45   -1.34  -0.02  0.10   
1 1 1 44 27 5  o 3.6002  0.3423 5.1545  -22.9000  -0.33  -0.27  -0.02  0.08   
1 1 1 44 27 6  o 8.8406  0.5245 6.8847  -136.4000 4.12   -2.44  -0.52  0.20   
1 1 1 44 27 7  o 2.2851  0.4201 2.1065  86.600    -0.17  0.16   0.02   -0.01  
1 1 1 44 27 8  o 2.7167  0.3793 3.6236  -126.0000 0.24   0.26   -0.05  0.03   
1 1 1 44 27 9  o 5.0973  0.2938 5.4840  17.500    -0.06  0.66   -0.00  0.05   
1 1 1 44 27 10 o 6.1879  0.3108 6.0645  38.600    0.97   0.56   0.12   0.11   
1 1 1 44 27 11 o 3.6364  0.7186 4.7354  -23.3000  0.64   -0.58  0.04   0.02   
1 1 1 44 27 12 o 1.9151  0.9484 ?       ?         0.52   0.06   0.01   -0.03  
1 1 1 44 27 13 o 6.2362  0.7399 ?       ?         -1.04  -0.15  0.01   -0.02  
1 1 1 44 27 14 o 3.1888  0.8994 ?       ?         0.05   0.23   -0.00  0.00   
1 1 1 44 27 15 o 3.3462  1.0426 ?       ?         0.19   0.47   -0.00  0.00   
1 1 1 44 27 16 o 2.5845  1.2375 ?       ?         -0.19  -0.21  -0.00  0.00   
1 1 1 44 27 17 o 5.5803  0.9900 ?       ?         0.15   -0.85  0.00   0.00   
1 1 1 44 28 0  o 2.9155  0.9997 2.0740  0.0000    -0.22  0.00   0.00   0.00   
1 1 1 44 28 1  o 4.9393  0.7259 4.1524  41.000    0.93   1.27   -0.07  -0.09  
1 1 1 44 28 2  o 9.1407  0.7544 7.4850  -76.7000  -0.63  -3.84  0.14   -0.27  
1 1 1 44 28 3  o 10.246  0.2798 10.952  -80.8000  -0.32  -0.58  -0.03  0.00   
1 1 1 44 28 4  o 4.5421  0.3085 4.2201  23.900    -1.27  0.50   -0.14  -0.13  
1 1 1 44 28 5  o 7.0959  0.2571 7.1886  -87.9000  -0.59  -0.60  -0.03  0.12   
1 1 1 44 28 6  o 3.2305  0.8081 1.7412  4.6000    -0.11  1.95   0.21   -0.12  
1 1 1 44 28 7  o 2.7352  0.5669 4.4389  -93.1000  -0.35  -0.20  -0.03  0.01   
1 1 1 44 28 8  o 5.8487  0.2233 6.0787  14.700    0.95   0.39   0.19   0.19   
1 1 1 44 28 9  o 2.8990  1.1300 2.7959  -159.8000 -0.96  0.13   -0.04  0.06   
1 1 1 44 28 10 o 2.9712  0.5820 3.0931  -17.6000  -0.22  0.06   0.01   0.00   
1 1 1 44 28 11 o 2.7185  0.6391 2.6159  -175.2000 0.01   0.02   0.00   0.00   
1 1 1 44 28 12 o 4.0224  0.8004 ?       ?         0.33   0.50   0.01   0.01   
1 1 1 44 28 13 o 4.3122  0.6123 ?       ?         0.10   0.22   -0.00  0.00   
1 1 1 44 28 14 o 3.5868  1.1858 ?       ?         0.17   -0.14  0.00   -0.00  
1 1 1 44 28 15 o 6.5834  0.8524 ?       ?         1.00   0.49   0.00   0.00   
1 1 1 44 28 16 o 5.0990  1.1121 ?       ?         -0.55  -0.56  0.00   0.00   
1 1 1 44 28 17 o 5.3852  1.2815 ?       ?         -0.23  0.48   0.00   0.00   
1 1 1 44 29 0  o 9.9045  0.4348 8.6467  180.000   -0.03  0.00   0.00   0.00   
1 1 1 44 29 1  o 3.1501  0.6874 2.1978  89.100    -0.07  0.19   0.00   -0.00  
1 1 1 44 29 2  o 7.3829  0.3643 7.6007  87.300    -0.19  1.78   -0.28  -0.19  
1 1 1 44 29 3  o 2.0433  0.7873 3.1179  -93.0000  0.43   -0.20  0.07   -0.01  
1 1 1 44 29 4  o 9.3036  0.5099 9.3601  91.000    -1.79  2.09   -0.25  0.08   
1 1 1 44 29 5  o 9.5798  0.2646 8.6539  -79.4000  1.08   0.38   0.05   -0.06  
1 1 1 44 29 6  o 4.5151  0.4150 4.0016  113.000   0.06   -0.04  0.00   -0.00  
1 1 1 44 29 7  o 10.700  0.2793 9.4987  -129.1000 1.32   -1.86  -0.26  0.07   
1 1 1 44 29 8  o 2.7043  1.1576 1.8343  -18.5000  -0.31  -0.06  0.00   -0.02  
1 1 1 44 29 9  f 4.0056  0.4472 5.0304  -161.4000 0.50   0.04   0.02   0.02   
1 1 1 44 29 10 o 3.0923  0.6347 2.7435  178.100   0.17   -0.49  -0.01  0.02   
1 1 1 44 29 11 o 4.9768  0.4177 ?       ?         -0.53  1.21   -0.02  -0.09  
1 1 1 44 29 12 o 3.2849  0.8480 ?       ?         0.78   -0.13  0.00   -0.03  
1 1 1 44 29 13 o 3.7725  1.7622 ?       ?         0.26   -0.27  0.00   -0.00  
1 1 1 44 29 14 o 3.4528  1.6820 ?       ?         -0.45  0.25   -0.00  -0.00  
1 1 1 44 29 15 o 6.0166  1.0117 ?       ?         -0.97  0.30   0.00   0.00   
1 1 1 44 29 16 o 6.2769  0.9277 ?       ?         -0.46  -1.18  0.00   0.00   
1 1 1 44 30 0  o 0.0000  2.6077 1.3344  -180.0000 -0.06  0.00   0.00   0.00   
1 1 1 44 30 1  o 5.8471  0.4527 8.0101  -29.3000  0.06   0.82   -0.04  0.04   
1 1 1 44 30 2  o 6.6569  0.4045 4.9153  174.000   -0.81  0.33   0.06   -0.02  
1 1 1 44 30 3  o 4.8645  0.4632 4.7655  9.1000    -0.04  -0.87  -0.03  0.06   
1 1 1 44 30 4  o 3.8087  0.6137 3.3406  123.700   -0.40  0.26   -0.00  -0.02  
1 1 1 44 30 5  o 5.7035  0.4988 5.2640  52.600    -0.97  1.07   -0.09  0.00   
1 1 1 44 30 6  o 3.4408  0.7569 4.1063  -28.1000  -0.18  -0.13  0.00   -0.00  
1 1 1 44 30 7  f 4.7939  1.0471 5.0486  144.700   0.85   0.70   0.03   -0.03  
1 1 1 44 30 8  o 6.9528  0.7089 6.6267  -162.7000 0.17   -0.92  -0.01  -0.01  
1 1 1 44 30 9  o 2.7751  0.5881 4.1194  161.100   -0.13  -0.13  0.00   0.00   
1 1 1 44 30 10 o 7.2722  0.4335 9.5916  -24.1000  0.98   0.93   0.07   0.01   
1 1 1 44 30 11 o 2.9114  0.7168 ?       ?         0.17   -0.13  -0.00  -0.00  
1 1 1 44 30 12 f 3.7084  1.2622 ?       ?         0.03   -0.19  -0.00  -0.00  
1 1 1 44 30 13 o 3.5496  1.1904 ?       ?         0.12   -0.54  0.00   0.00   
1 1 1 44 30 14 o 5.0398  0.9040 ?       ?         0.66   -0.13  0.00   0.00   
1 1 1 44 31 0  o 2.2804  1.1192 1.0511  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 44 31 1  o 2.9168  1.3472 2.3703  130.400   -0.55  0.76   0.07   0.02   
1 1 1 44 31 2  o 5.5484  0.4567 4.5809  52.800    0.69   -0.37  0.01   -0.05  
1 1 1 44 31 3  o 1.1234  0.9485 2.1254  -2.9000   0.23   0.16   0.00   0.02   
1 1 1 44 31 4  o 4.9867  0.4977 2.8968  96.300    -0.24  0.32   0.01   -0.01  
1 1 1 44 31 5  o 3.0109  0.7991 2.5451  -125.3000 0.21   -0.20  0.00   -0.01  
1 1 1 44 31 6  o 4.8317  0.5784 4.4152  -122.4000 0.16   0.77   -0.03  -0.00  
1 1 1 44 31 7  o 5.5683  0.8404 4.0783  -34.0000  -0.25  0.29   0.00   -0.00  
1 1 1 44 31 8  o 3.8883  0.9818 3.3653  93.800    -0.34  -0.33  0.00   0.00   
1 1 1 44 31 9  o 7.2569  0.3748 6.2957  137.800   1.51   1.03   0.13   -0.05  
1 1 1 44 31 10 o 3.2901  0.7214 ?       ?         -0.37  -0.65  0.02   0.02   
1 1 1 44 31 11 o 5.8481  0.6503 ?       ?         -1.19  0.28   0.00   0.00   
1 1 1 44 31 12 o 2.4083  1.2282 ?       ?         -0.20  -0.04  0.00   0.00   
1 1 1 44 32 0  o 0.0000  2.6458 2.5192  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 44 32 1  o 1.9564  0.9588 1.5656  137.400   -0.15  0.16   0.01   -0.00  
1 1 1 44 32 2  o 2.2380  1.0744 1.0752  -0.2000   -0.37  0.26   0.03   0.01   
1 1 1 44 32 3  o 0.0000  2.0971 ?       ?         0.14   -0.12  -0.00  -0.01  
1 1 1 44 32 4  o 3.7065  0.7371 1.0311  -99.1000  -0.17  -1.37  -0.09  -0.07  
1 1 1 44 32 5  o 0.0000  2.6220 ?       ?         0.18   0.32   0.00   0.02   
1 1 1 44 32 6  o 2.8003  1.2967 3.1190  149.900   0.16   -0.17  -0.00  -0.00  
1 1 1 44 32 7  o 4.6803  1.6472 2.4045  -83.0000  0.39   -0.43  0.01   -0.00  
1 1 1 44 32 8  o 6.2372  1.2347 5.9410  168.100   0.25   1.02   -0.01  -0.01  
1 1 1 44 32 9  o 5.8562  0.5119 ?       ?         -0.49  0.65   -0.00  -0.02  
1 1 1 44 32 10 o 3.6332  0.7222 ?       ?         0.21   -0.20  0.00   0.00   
1 1 1 44 33 0  o 0.0000  2.9665 1.6325  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 44 33 1  o 7.5568  0.4526 7.3732  -137.3000 1.15   -0.26  0.04   0.01   
1 1 1 44 33 2  o 2.2338  0.9712 2.3967  -31.6000  0.04   -0.10  -0.00  0.00   
1 1 1 44 33 3  o 7.4570  0.5687 5.6766  -27.6000  -0.99  0.44   0.02   -0.01  
1 1 1 44 33 4  o 5.6113  1.0693 4.2301  -92.0000  0.05   -1.54  -0.01  -0.04  
1 1 1 44 33 5  o 2.7496  1.3345 3.8976  65.400    -0.38  0.02   0.00   -0.00  
1 1 1 44 33 6  f 5.6350  0.8565 5.6952  160.200   -0.49  1.23   -0.02  0.02   
1 1 1 44 33 7  o 10.597  0.5570 11.332  24.400    0.46   0.19   0.00   0.00   
1 1 1 44 33 8  o 3.5540  1.6653 ?       ?         -0.13  -0.14  -0.00  0.00   
1 1 1 44 33 9  o 2.9833  1.4428 ?       ?         -0.44  -0.74  0.00   0.00   
1 1 1 44 34 0  o 3.4785  1.4255 2.6225  -0.0000   0.18   0.00   0.00   0.00   
1 1 1 44 34 1  o 0.0000  2.5278 ?       ?         -0.46  -0.34  -0.02  0.02   
1 1 1 44 34 2  o 1.3906  1.2085 0.9645  84.900    0.06   -0.24  -0.01  0.00   
1 1 1 44 34 3  o 4.6370  0.8436 4.5936  101.700   0.01   0.25   -0.00  -0.00  
1 1 1 44 34 4  o 3.0018  1.1755 2.4394  -3.1000   -0.28  -0.34  -0.00  0.00   
1 1 1 44 34 5  o 5.4602  0.8240 4.5234  94.500    0.01   0.06   -0.00  0.00   
1 1 1 44 34 6  o 3.1648  1.0226 4.3816  -84.2000  0.56   0.32   0.01   0.00   
1 1 1 44 34 7  o 0.0000  2.6590 ?       ?         -0.17  0.53   -0.01  -0.01  
1 1 1 44 34 8  o 3.3813  1.3825 ?       ?         -0.61  0.46   0.00   -0.00  
1 1 1 44 35 0  o 6.6933  0.9752 9.7663  180.000   -0.64  0.00   0.00   0.00   
1 1 1 44 35 1  o 2.2287  1.1341 2.5092  -53.4000  0.48   -0.09  0.01   -0.00  
1 1 1 44 35 2  o 0.0000  2.5728 ?       ?         -0.10  -0.12  -0.00  0.00   
1 1 1 44 35 3  o 0.0000  2.6646 ?       ?         -0.45  -0.17  0.02   -0.01  
1 1 1 44 35 4  o 3.0243  1.1212 3.5780  -110.9000 0.24   -0.52  -0.01  -0.00  
1 1 1 44 35 5  o 9.4272  0.5067 10.184  -166.1000 -2.86  -0.90  0.09   0.05   
1 1 1 44 35 6  o 5.9922  0.6992 ?       ?         -0.44  -0.99  -0.00  0.01   
1 1 1 44 35 7  o 4.7708  1.8891 ?       ?         -0.62  -0.06  0.00   0.00   
1 1 1 44 36 0  o 6.3325  0.8615 5.5080  180.000   -0.08  0.00   0.00   0.00   
1 1 1 44 36 1  o 0.0000  2.6971 ?       ?         0.13   -0.33  -0.00  -0.01  
1 1 1 44 36 2  o 4.4626  0.9113 2.8010  37.400    0.96   0.36   0.02   -0.00  
1 1 1 44 36 3  o 4.9494  0.8534 4.5785  97.400    0.34   0.78   -0.01  0.00   
1 1 1 44 36 4  o 3.4801  1.6761 1.0793  107.900   -0.10  0.39   -0.00  -0.00  
1 1 1 44 36 5  o 3.1051  1.4113 ?       ?         -0.41  -0.71  0.00   0.01   
1 1 1 44 37 0  o 0.0000  3.7683 0.2355  180.000   -0.13  0.00   0.00   0.00   
1 1 1 44 37 1  o 6.8565  0.6258 6.6026  -80.7000  1.50   -0.56  0.02   -0.02  
1 1 1 44 37 2  o 3.4780  1.0241 ?       ?         -0.65  0.26   0.00   -0.01  
1 1 1 44 37 3  o 2.3276  1.2094 ?       ?         0.14   -0.34  -0.00  -0.00  
1 1 1 44 37 4  o 7.5129  0.9008 ?       ?         -1.06  2.26   0.02   -0.01  
1 1 1 44 38 0  o 6.6708  1.2443 ?       ?         -0.93  0.00   0.00   0.00   
1 1 1 44 38 1  o 0.0000  2.9229 ?       ?         0.24   -0.12  0.00   -0.00  
1 1 1 45 0  1  o 14.307  0.2270 12.385  45.000    0.59   0.59   0.00   0.00   
1 1 1 45 0  2  o 5.4772  0.3430 7.7615  -180.0000 0.13   0.00   0.00   0.00   
1 1 1 45 0  3  o 0.0000  1.9748 0.9838  135.000   -0.00  0.00   0.00   0.00   
1 1 1 45 0  4  o 5.0596  0.3676 5.8995  90.000    0.00   0.06   0.00   0.00   
1 1 1 45 0  5  o 11.027  0.2265 9.8340  -135.0000 -0.04  -0.04  0.00   0.00   
1 1 1 45 0  6  o 6.7305  0.2985 5.1324  180.000   -0.42  0.00   0.00   0.00   
1 1 1 45 0  7  o 4.9900  0.4064 5.7768  -45.0000  -0.01  0.01   0.00   0.00   
1 1 1 45 0  8  o 13.270  0.2223 10.764  -90.0000  -0.00  -0.48  0.00   0.00   
1 1 1 45 0  9  o 13.773  0.2425 13.199  -135.0000 -0.64  -0.64  0.00   0.00   
1 1 1 45 0  10 o 4.2895  0.5259 1.6486  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 45 0  11 o 11.895  0.2832 12.310  -45.0000  0.67   -0.67  0.00   0.00   
1 1 1 45 0  12 o 0.0000  2.4083 1.0744  -90.0000  0.00   0.01   0.00   0.00   
1 1 1 45 0  13 o 0.0000  2.4495 0.2709  45.000    0.02   0.02   0.00   0.00   
1 1 1 45 0  14 o 3.2094  0.7117 2.3015  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 45 0  15 o 2.2136  0.9354 2.4927  -45.0000  0.02   -0.02  0.00   0.00   
1 1 1 45 0  16 o 8.1486  0.3918 7.4354  -90.0000  0.00   0.44   0.00   0.00   
1 1 1 45 0  17 o 2.8810  0.8327 ?       ?         0.29   0.29   0.00   0.00   
1 1 1 45 0  18 o 0.0000  2.4290 ?       ?         -0.02  0.00   0.00   0.00   
1 1 1 45 0  19 o 1.2649  1.1293 ?       ?         0.14   -0.14  0.00   0.00   
1 1 1 45 0  20 o 3.8079  0.6433 ?       ?         -0.00  -0.25  0.00   0.00   
1 1 1 45 0  21 o 4.0373  0.8192 ?       ?         0.07   0.07   0.00   0.00   
1 1 1 45 1  0  o 3.1464  0.4897 2.3591  0.1000    0.10   0.00   0.00   0.00   
1 1 1 45 1  1  o 12.967  0.1703 12.517  -32.0000  1.90   -0.18  -0.49  -0.95  
1 1 1 45 1  2  o 5.3850  0.3932 4.0485  -10.0000  2.58   -1.79  -0.03  0.71   
1 1 1 45 1  3  o 4.0301  0.3358 1.9530  90.800    0.09   0.12   0.03   0.01   
1 1 1 45 1  4  o 10.386  0.4206 10.100  60.300    3.25   4.00   -0.10  -0.91  
1 1 1 45 1  5  f 3.3532  0.3869 6.9278  71.900    -0.06  0.32   0.02   0.06   
1 1 1 45 1  6  o 7.9230  0.1906 9.3584  -155.0000 -0.64  -0.01  0.20   0.46   
1 1 1 45 1  7  o 8.3181  0.1919 7.4445  76.400    0.32   0.47   -0.23  -0.12  
1 1 1 45 1  8  o 14.059  0.1648 12.252  -118.7000 -0.39  -0.84  -0.06  0.57   
1 1 1 45 1  9  o 8.1045  0.2276 7.5762  -81.6000  0.27   0.06   0.07   -0.02  
1 1 1 45 1  10 o 5.5201  0.3227 6.3428  -178.7000 0.20   -0.44  -0.06  0.08   
1 1 1 45 1  11 o 3.4696  0.4662 1.8093  42.700    -0.12  0.61   0.07   -0.07  
1 1 1 45 1  12 o 7.0510  0.2680 8.1809  -41.0000  0.05   -0.56  0.00   0.06   
1 1 1 45 1  13 o 6.2933  0.3102 5.6262  109.200   -0.36  -0.15  0.02   -0.02  
1 1 1 45 1  14 o 2.3237  0.6486 3.0691  137.400   -0.21  0.30   -0.02  -0.07  
1 1 1 45 1  15 o 7.3025  0.2991 7.9656  -23.2000  0.72   -0.42  0.12   -0.07  
1 1 1 45 1  16 o 5.7530  0.3624 6.5221  -55.0000  0.40   -0.34  0.03   0.00   
1 1 1 45 1  17 o 5.9829  0.3885 ?       ?         0.56   0.56   -0.03  0.04   
1 1 1 45 1  18 o 7.7399  0.3174 ?       ?         1.18   -0.29  0.07   -0.03  
1 1 1 45 1  19 o 3.7686  0.5711 ?       ?         0.10   -0.59  -0.02  -0.01  
1 1 1 45 1  20 o 4.0522  0.5602 ?       ?         0.08   -0.09  0.00   -0.00  
1 1 1 45 1  21 o 1.4334  0.8467 ?       ?         0.23   -0.11  -0.00  -0.01  
1 1 1 45 2  0  o 12.083  0.2154 10.498  180.000   0.74   0.00   0.00   0.00   
1 1 1 45 2  1  o 9.9220  0.1503 9.6793  -135.6000 0.29   -0.85  -0.23  0.45   
1 1 1 45 2  2  o 5.0403  0.2612 5.6600  -26.0000  0.71   0.15   -0.06  -0.07  
1 1 1 45 2  3  o 16.826  0.2008 16.326  -131.4000 -0.52  -2.54  0.70   0.41   
1 1 1 45 2  4  o 12.479  0.1465 10.326  166.200   -0.97  0.21   0.83   -0.66  
1 1 1 45 2  5  o 11.406  0.1525 10.314  123.900   -0.74  0.55   -0.41  -0.86  
1 1 1 45 2  6  o 5.5939  0.5077 7.0735  -101.7000 3.46   -1.35  -0.55  0.28   
1 1 1 45 2  7  o 13.509  0.1434 15.733  95.700    -0.26  0.25   -0.05  0.00   
1 1 1 45 2  8  o 16.402  0.2436 15.114  0.3000    -0.29  -0.74  0.00   -0.05  
1 1 1 45 2  9  o 4.2413  0.3882 2.1767  159.200   0.51   0.46   -0.04  -0.05  
1 1 1 45 2  10 o 12.289  0.4541 12.797  -60.3000  3.24   0.69   -0.22  -0.36  
1 1 1 45 2  11 o 6.9823  0.3913 7.6786  -124.2000 0.09   -1.69  0.17   -0.12  
1 1 1 45 2  12 o 3.0135  0.5266 3.0002  164.900   -0.02  -0.14  -0.01  -0.00  
1 1 1 45 2  13 o 8.8839  0.2445 9.6214  -68.9000  0.06   -0.29  -0.01  0.01   
1 1 1 45 2  14 o 10.825  0.2182 10.982  34.200    -0.20  1.12   -0.21  -0.05  
1 1 1 45 2  15 o 4.8051  0.4082 4.6744  -43.8000  0.06   -0.04  0.00   -0.00  
1 1 1 45 2  16 o 4.1877  0.4685 4.6773  166.800   -0.18  0.01   0.00   -0.00  
1 1 1 45 2  17 o 0.2567  0.6991 ?       ?         0.17   -0.15  -0.01  -0.02  
1 1 1 45 2  18 f 3.6621  1.5088 ?       ?         -0.24  0.40   -0.01  0.01   
1 1 1 45 2  19 o 6.0275  0.4155 ?       ?         0.72   0.43   0.00   0.03   
1 1 1 45 2  20 o 3.9660  0.5444 ?       ?         0.44   -0.27  -0.00  -0.01  
1 1 1 45 2  21 o 5.1584  1.6370 ?       ?         -0.13  0.57   -0.00  0.00   
1 1 1 45 3  0  o 4.4497  0.4193 4.9138  -179.9000 -0.09  0.00   0.00   0.00   
1 1 1 45 3  1  o 8.4099  0.3471 8.3826  -59.4000  1.53   -3.29  0.27   0.73   
1 1 1 45 3  2  o 14.203  0.3394 16.613  45.300    1.54   7.66   2.98   0.28   
1 1 1 45 3  3  o 14.417  0.1450 13.284  103.700   -0.34  0.46   0.07   0.01   
1 1 1 45 3  4  o 9.7000  0.1625 8.8680  -133.8000 -0.34  -0.62  -0.09  -0.17  
1 1 1 45 3  5  o 7.4896  0.2012 8.0892  108.100   0.65   -0.06  -0.13  -0.13  
1 1 1 45 3  6  o 7.0135  0.3698 7.0542  131.100   -0.67  5.00   1.59   -0.16  
1 1 1 45 3  7  o 2.4271  0.4656 2.4804  103.500   -0.36  0.37   0.07   0.09   
1 1 1 45 3  8  o 11.510  0.2831 14.236  37.000    -0.94  1.91   0.02   0.34   
1 1 1 45 3  9  o 11.876  0.1739 8.8760  66.700    1.89   1.00   -1.07  0.22   
1 1 1 45 3  10 o 4.5601  0.3796 2.9594  92.600    -0.25  0.89   0.19   -0.19  
1 1 1 45 3  11 o 4.4705  0.5530 3.8750  16.900    1.22   0.74   -0.13  -0.06  
1 1 1 45 3  12 o 1.9501  0.9295 2.0472  -122.3000 0.31   0.21   -0.02  -0.01  
1 1 1 45 3  13 o 7.0971  0.2920 6.3434  -177.5000 0.09   -0.15  -0.00  0.00   
1 1 1 45 3  14 o 5.4790  0.3615 5.7649  95.700    -0.59  -0.04  -0.00  0.06   
1 1 1 45 3  15 o 7.3978  0.2725 7.1154  13.700    0.90   -0.52  -0.10  -0.05  
1 1 1 45 3  16 o 3.1486  1.2419 3.2613  123.400   0.10   -0.23  -0.00  0.01   
1 1 1 45 3  17 o 7.4037  0.3125 ?       ?         0.19   -0.32  0.00   -0.01  
1 1 1 45 3  18 o 6.5221  0.3499 ?       ?         0.74   -0.37  0.01   -0.04  
1 1 1 45 3  19 o 5.5506  0.3994 ?       ?         1.04   -0.48  -0.02  -0.05  
1 1 1 45 3  20 o 0.5946  0.9295 ?       ?         0.12   -0.08  0.00   -0.00  
1 1 1 45 3  21 o 3.3686  0.8392 ?       ?         -0.06  -0.43  -0.00  0.00   
1 1 1 45 4  0  o 3.2558  0.5119 0.7939  -0.2000   0.02   0.00   0.00   0.00   
1 1 1 45 4  1  o 10.228  0.1475 10.782  -86.5000  -0.19  -0.04  0.04   0.04   
1 1 1 45 4  2  o 6.3006  0.3525 8.0302  -1.0000   -0.91  1.98   0.31   0.18   
1 1 1 45 4  3  o 5.8206  0.2909 3.9573  -24.9000  3.00   0.25   -0.88  -0.58  
1 1 1 45 4  4  o 3.9604  0.3648 3.4341  127.100   1.68   -0.52  -0.38  0.08   
1 1 1 45 4  5  o 7.9002  0.1933 8.2172  -179.7000 0.21   0.16   -0.07  0.09   
1 1 1 45 4  6  o 10.229  0.1594 9.0259  -100.1000 -1.33  -1.44  -1.32  -0.68  
1 1 1 45 4  7  o 12.727  0.1968 12.129  -83.3000  0.23   -1.80  0.23   0.32   
1 1 1 45 4  8  o 4.1212  0.4215 4.7994  4.7000    1.72   0.23   -0.33  0.07   
1 1 1 45 4  9  o 14.998  0.1571 16.538  -3.9000   0.60   0.41   0.13   0.08   
1 1 1 45 4  10 o 4.6049  0.4607 4.1442  -50.7000  0.51   -0.66  0.05   0.04   
1 1 1 45 4  11 o 3.0199  0.7973 1.4307  -163.3000 -0.87  0.15   -0.09  -0.03  
1 1 1 45 4  12 o 1.8415  0.8757 0.9533  -73.0000  -0.06  0.19   -0.00  0.01   
1 1 1 45 4  13 o 3.0575  0.5401 2.3916  141.400   -0.19  0.03   -0.00  -0.01  
1 1 1 45 4  14 o 8.7627  0.2458 7.9031  -38.3000  -0.72  0.50   -0.08  -0.08  
1 1 1 45 4  15 o 4.9760  0.7152 5.4509  -136.1000 -0.31  -0.41  0.01   -0.00  
1 1 1 45 4  16 o 5.7490  0.9422 5.1017  -108.5000 -2.84  0.26   -0.12  0.14   
1 1 1 45 4  17 o 3.0922  1.2234 ?       ?         0.26   -0.20  -0.01  0.00   
1 1 1 45 4  18 o 4.1990  0.5184 ?       ?         0.06   0.60   -0.02  -0.01  
1 1 1 45 4  19 f 4.1865  0.5490 ?       ?         0.58   -0.36  -0.01  -0.02  
1 1 1 45 4  20 o 4.3705  1.3335 ?       ?         -0.31  -0.13  0.00   -0.00  
1 1 1 45 4  21 o 3.3911  0.8106 ?       ?         -0.72  -0.44  -0.00  0.01   
1 1 1 45 5  0  o 18.924  0.1858 16.664  180.000   -0.96  0.00   0.00   0.00   
1 1 1 45 5  1  o 10.160  0.1538 12.278  42.600    -0.47  0.85   -0.40  0.37   
1 1 1 45 5  2  f 15.870  0.1345 19.465  161.800   -1.42  1.07   0.65   0.41   
1 1 1 45 5  3  o 5.9212  0.2229 5.7722  113.400   0.19   0.31   -0.00  -0.03  
1 1 1 45 5  4  o 7.5932  0.5875 7.6736  169.500   -3.67  0.60   -0.32  0.04   
1 1 1 45 5  5  o 10.740  0.3213 8.7203  169.300   -0.39  1.73   0.20   -0.01  
1 1 1 45 5  6  f 5.9433  0.2326 5.3462  -87.3000  0.04   0.88   0.24   0.34   
1 1 1 45 5  7  o 16.147  0.1970 14.110  -62.4000  4.10   -1.90  -2.23  0.07   
1 1 1 45 5  8  f 7.2176  0.3360 8.6517  -110.4000 -1.76  -1.86  -0.25  -0.50  
1 1 1 45 5  9  f 7.3431  0.2748 9.9088  16.800    0.32   0.51   -0.02  -0.05  
1 1 1 45 5  10 o 7.9607  0.2378 8.4020  166.500   0.27   0.42   -0.13  0.05   
1 1 1 45 5  11 o 3.2550  0.4820 6.8719  -131.2000 -0.04  0.03   0.00   -0.00  
1 1 1 45 5  12 f 8.7934  0.2334 11.500  127.900   -0.91  -0.68  0.14   -0.10  
1 1 1 45 5  13 o 10.159  0.3935 11.053  -40.7000  2.10   1.91   0.30   -0.25  
1 1 1 45 5  14 o 7.3390  0.2966 6.8199  -115.5000 0.98   -1.09  -0.21  0.05   
1 1 1 45 5  15 o 5.7110  0.3663 5.1331  7.6000    0.17   0.63   -0.04  0.07   
1 1 1 45 5  16 o 1.8726  0.7864 1.1503  122.300   0.26   0.38   -0.06  0.01   
1 1 1 45 5  17 o 3.8593  0.6206 ?       ?         -0.05  -0.82  0.00   -0.05  
1 1 1 45 5  18 o 5.2958  0.4301 ?       ?         0.02   -0.05  -0.00  -0.00  
1 1 1 45 5  19 o 2.4972  0.7465 ?       ?         0.40   0.52   0.01   0.03   
1 1 1 45 5  20 o 3.4053  0.9826 ?       ?         -0.61  -0.13  0.01   -0.01  
1 1 1 45 5  21 o 5.6977  0.6592 ?       ?         -0.22  1.13   0.00   -0.01  
1 1 1 45 6  0  o 10.936  0.1976 7.2354  180.000   -0.17  0.00   0.00   0.00   
1 1 1 45 6  1  o 3.8565  0.3154 4.6897  -105.1000 -0.38  -0.39  0.67   0.34   
1 1 1 45 6  2  o 15.587  0.1414 13.990  116.700   1.42   3.25   -1.64  -2.73  
1 1 1 45 6  3  o 5.9573  0.2556 7.0608  -139.7000 -1.14  0.91   -0.21  0.24   
1 1 1 45 6  4  o 7.5907  0.1986 5.6407  -60.8000  0.24   -0.58  0.10   0.01   
1 1 1 45 6  5  o 5.6115  0.2713 5.1968  23.300    -0.77  -0.93  -0.10  -0.22  
1 1 1 45 6  6  o 14.614  0.1340 13.725  -156.4000 0.38   0.03   -0.01  0.05   
1 1 1 45 6  7  o 4.8856  0.3346 4.9164  -45.6000  0.75   -0.66  -0.07  0.10   
1 1 1 45 6  8  o 12.327  0.2885 11.108  -173.7000 -0.96  0.72   -0.07  0.06   
1 1 1 45 6  9  o 9.6942  0.2724 8.6927  1.2000    1.62   -1.91  0.59   0.34   
1 1 1 45 6  10 o 3.7338  0.4404 3.3093  -61.8000  0.16   -0.09  0.02   0.00   
1 1 1 45 6  11 o 11.433  0.1863 12.250  -7.2000   0.56   -0.03  0.04   -0.07  
1 1 1 45 6  12 o 4.8997  0.3722 5.9668  -57.4000  -0.05  -0.20  -0.02  -0.01  
1 1 1 45 6  13 o 5.4456  0.3631 4.6748  73.400    -0.58  -0.29  0.07   -0.04  
1 1 1 45 6  14 o 5.1601  0.3742 4.7509  -39.1000  -0.33  -0.44  -0.06  -0.00  
1 1 1 45 6  15 o 2.2262  0.6534 3.9978  -101.8000 -0.03  0.02   -0.00  -0.00  
1 1 1 45 6  16 o 4.8250  0.4318 5.4901  -64.6000  0.16   -0.27  -0.01  -0.00  
1 1 1 45 6  17 o 6.5872  0.3456 ?       ?         -0.62  -0.79  0.04   0.06   
1 1 1 45 6  18 o 4.2018  0.6291 ?       ?         0.33   -0.66  -0.02  0.01   
1 1 1 45 6  19 o 7.1939  0.3697 ?       ?         -0.28  0.39   -0.00  -0.01  
1 1 1 45 6  20 o 0.9691  1.0567 ?       ?         -0.01  -0.05  -0.00  0.00   
1 1 1 45 6  21 o 3.7799  1.0728 ?       ?         0.29   1.00   -0.00  0.01   
1 1 1 45 7  0  o 6.5269  0.3000 6.9702  180.000   0.14   0.00   0.00   0.00   
1 1 1 45 7  1  o 6.1484  0.2203 4.4089  -0.9000   0.22   0.49   -0.58  -0.07  
1 1 1 45 7  2  o 11.550  0.1447 11.664  144.000   -1.34  -0.15  0.41   -1.17  
1 1 1 45 7  3  o 1.8832  0.5246 3.3580  153.000   -0.13  -0.10  0.11   0.05   
1 1 1 45 7  4  o 6.2320  0.2356 6.4368  158.300   0.08   -0.20  -0.00  0.02   
1 1 1 45 7  5  f 2.9417  0.4424 1.1980  -38.2000  0.34   -0.07  -0.01  0.02   
1 1 1 45 7  6  o 1.2726  0.6788 1.8513  -177.7000 0.02   0.05   -0.00  -0.00  
1 1 1 45 7  7  o 8.5767  0.2673 9.2224  88.200    1.13   1.33   0.15   -0.22  
1 1 1 45 7  8  f 1.6951  0.7991 3.5952  -172.7000 -0.15  -0.04  -0.00  -0.01  
1 1 1 45 7  9  o 15.681  0.2357 15.629  -68.0000  -1.69  -2.03  -0.57  -0.34  
1 1 1 45 7  10 o 7.6382  0.4451 6.0988  -58.1000  3.14   2.10   0.14   -0.72  
1 1 1 45 7  11 o 9.9124  0.2296 8.8996  -113.3000 -0.69  -1.50  -0.16  -0.29  
1 1 1 45 7  12 o 11.129  0.2005 9.6482  -74.8000  -0.51  0.19   0.07   -0.06  
1 1 1 45 7  13 o 14.746  0.4199 13.047  -95.1000  0.85   0.15   -0.00  -0.02  
1 1 1 45 7  14 o 1.5248  0.7549 2.1685  -112.2000 0.14   -0.10  -0.01  -0.02  
1 1 1 45 7  15 o 3.2070  0.5638 3.9602  -163.7000 -0.15  0.42   0.02   -0.03  
1 1 1 45 7  16 o 10.516  0.3936 10.360  -45.1000  3.25   1.68   0.35   -0.39  
1 1 1 45 7  17 o 4.0820  0.4901 ?       ?         0.49   -0.65  -0.05  0.00   
1 1 1 45 7  18 o 4.1625  0.5219 ?       ?         -0.54  -0.12  0.02   -0.00  
1 1 1 45 7  19 o 4.2202  0.5209 ?       ?         -0.16  1.06   -0.05  -0.02  
1 1 1 45 7  20 o 3.9699  0.6742 ?       ?         -1.02  -0.42  0.01   0.02   
1 1 1 45 7  21 o 3.6749  1.3744 ?       ?         0.11   0.45   -0.00  0.00   
1 1 1 45 8  0  o 0.0000  1.9494 1.6436  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 45 8  1  o 5.8863  0.2265 6.3684  82.600    -0.22  0.44   -0.09  0.17   
1 1 1 45 8  2  o 1.8869  0.5006 1.9118  94.300    0.15   -0.01  0.00   0.06   
1 1 1 45 8  3  o 5.7761  0.2416 4.9310  153.800   -0.70  0.53   -0.36  0.14   
1 1 1 45 8  4  o 2.7628  0.5580 2.5712  174.100   0.08   0.29   0.01   -0.00  
1 1 1 45 8  5  o 5.9409  0.2488 5.6260  176.800   0.26   -0.23  -0.13  -0.04  
1 1 1 45 8  6  o 11.960  0.1571 12.709  101.100   -3.34  0.45   -2.14  -2.35  
1 1 1 45 8  7  o 11.316  0.1710 11.045  -61.1000  2.92   1.52   0.28   -1.76  
1 1 1 45 8  8  o 14.635  0.1503 15.205  160.800   -0.87  0.18   0.43   0.01   
1 1 1 45 8  9  o 9.6935  0.2061 9.2534  33.500    -0.56  -0.29  -0.08  0.14   
1 1 1 45 8  10 o 0.0000  1.5649 ?       ?         -0.08  0.01   -0.00  -0.02  
1 1 1 45 8  11 o 3.8122  0.4183 1.9626  36.600    -0.25  -0.34  0.04   0.10   
1 1 1 45 8  12 f 3.7937  0.4595 1.9030  -80.0000  -0.09  0.17   0.01   -0.00  
1 1 1 45 8  13 o 1.6413  0.7598 2.7850  -4.1000   -0.08  -0.23  0.01   0.04   
1 1 1 45 8  14 o 8.4462  0.2698 8.8015  -102.3000 -0.29  -1.89  -0.60  -0.07  
1 1 1 45 8  15 o 6.2191  0.3483 6.4424  -168.9000 -0.49  -0.14  0.04   -0.01  
1 1 1 45 8  16 o 1.2257  0.8459 1.6178  62.700    0.03   -0.03  0.00   -0.00  
1 1 1 45 8  17 o 2.3028  1.0920 ?       ?         -0.51  0.26   -0.04  -0.02  
1 1 1 45 8  18 o 4.2098  0.4991 ?       ?         -0.29  -1.25  -0.06  -0.06  
1 1 1 45 8  19 o 6.0933  0.4686 ?       ?         0.05   -0.95  -0.03  -0.00  
1 1 1 45 8  20 o 4.6012  0.6045 ?       ?         -0.04  0.08   -0.00  -0.00  
1 1 1 45 8  21 o 5.4907  0.7364 ?       ?         -0.51  0.37   0.00   -0.00  
1 1 1 45 9  0  o 10.724  0.2148 8.9983  0.0000    0.29   0.00   0.00   0.00   
1 1 1 45 9  1  o 3.8817  0.3112 4.1039  -76.4000  -0.30  -0.26  -0.03  -0.04  
1 1 1 45 9  2  o 8.9897  0.2903 8.6064  89.900    -0.81  4.02   1.25   -0.03  
1 1 1 45 9  3  o 8.4992  0.1951 9.4258  24.700    0.85   -1.80  0.65   0.17   
1 1 1 45 9  4  o 4.5507  0.5480 3.4396  -95.1000  0.32   0.60   0.01   -0.02  
1 1 1 45 9  5  o 12.026  0.1591 12.644  30.800    1.26   2.93   2.30   0.65   
1 1 1 45 9  6  f 7.9441  0.1902 9.3365  -37.7000  -0.25  -1.44  0.24   -0.59  
1 1 1 45 9  7  o 6.3795  0.2370 6.9370  -113.2000 -0.18  0.51   -0.06  0.15   
1 1 1 45 9  8  o 3.7437  0.3886 2.6461  128.300   -0.02  0.22   0.01   -0.01  
1 1 1 45 9  9  o 0.2631  0.6363 0.5078  -133.7000 0.20   -0.18  -0.05  0.03   
1 1 1 45 9  10 o 5.8549  0.2871 4.2925  149.400   0.20   0.06   0.03   0.00   
1 1 1 45 9  11 o 3.5188  0.4390 4.2345  82.200    0.03   0.40   -0.05  0.07   
1 1 1 45 9  12 o 9.0031  0.2392 10.492  -114.4000 -0.61  -1.01  -0.26  0.23   
1 1 1 45 9  13 o 11.598  0.2086 12.630  -177.3000 -2.53  -1.09  0.87   -0.35  
1 1 1 45 9  14 o 6.0648  0.6220 7.1714  -179.5000 -1.43  0.55   -0.09  -0.01  
1 1 1 45 9  15 o 7.7486  0.6389 6.9914  -20.6000  0.31   -1.61  0.03   0.07   
1 1 1 45 9  16 o 1.6213  0.8513 1.0518  0.1000    0.13   -0.01  0.00   0.00   
1 1 1 45 9  17 o 3.0107  0.6290 ?       ?         -0.14  -0.04  0.00   0.00   
1 1 1 45 9  18 o 3.5428  0.6020 ?       ?         -0.22  -0.03  0.00   0.00   
1 1 1 45 9  19 o 7.9975  0.5635 ?       ?         -1.78  0.49   0.06   0.04   
1 1 1 45 9  20 o 3.7944  0.6616 ?       ?         -0.26  0.07   0.00   -0.00  
1 1 1 45 9  21 o 4.0509  0.8242 ?       ?         0.12   -0.68  -0.00  -0.00  
1 1 1 45 10 0  o 5.4129  0.3547 5.7582  0.0000    -0.09  0.00   0.00   0.00   
1 1 1 45 10 1  o 8.9475  0.1909 9.2775  29.600    1.50   0.99   0.11   -0.51  
1 1 1 45 10 2  o 7.2850  0.1973 9.2492  -89.5000  -0.52  -0.60  -0.41  -0.21  
1 1 1 45 10 3  o 5.7259  0.2457 5.6613  69.400    0.67   0.57   -0.18  -0.13  
1 1 1 45 10 4  o 10.958  0.1647 10.259  34.100    -0.44  0.49   0.24   -0.06  
1 1 1 45 10 5  o 7.8679  0.2262 5.9877  146.100   -0.95  -0.09  -0.09  -0.09  
1 1 1 45 10 6  o 15.451  0.2443 14.751  67.600    0.97   2.49   0.07   -0.53  
1 1 1 45 10 7  o 7.5559  0.2032 7.4351  96.700    0.52   0.28   -0.09  0.43   
1 1 1 45 10 8  o 11.077  0.1845 12.239  -6.6000   0.33   0.23   0.02   0.08   
1 1 1 45 10 9  o 6.6707  0.2653 7.7505  -158.5000 -0.73  0.61   0.42   -0.07  
1 1 1 45 10 10 o 4.1084  0.3955 4.1563  169.500   0.18   -0.21  -0.02  0.01   
1 1 1 45 10 11 o 8.9623  0.2285 10.232  138.700   1.68   -0.87  -0.41  -0.08  
1 1 1 45 10 12 o 2.7163  1.2356 2.9985  -129.5000 0.03   0.44   0.02   0.01   
1 1 1 45 10 13 o 7.0764  0.2711 6.5965  -51.4000  0.94   -0.21  -0.05  -0.16  
1 1 1 45 10 14 o 6.6660  0.3503 8.0436  162.800   -0.46  0.62   0.05   -0.00  
1 1 1 45 10 15 o 3.8263  0.4905 3.0848  74.000    0.15   0.29   0.01   0.01   
1 1 1 45 10 16 o 5.0277  0.4262 4.6251  -68.1000  -0.36  0.39   -0.02  0.00   
1 1 1 45 10 17 o 3.4563  0.5559 ?       ?         0.13   0.15   0.00   0.00   
1 1 1 45 10 18 o 6.0632  0.4445 ?       ?         0.30   1.01   -0.01  0.04   
1 1 1 45 10 19 o 7.1432  0.4187 ?       ?         -0.64  1.15   -0.03  -0.04  
1 1 1 45 10 20 o 4.2812  0.8304 ?       ?         -0.26  0.92   -0.00  -0.01  
1 1 1 45 11 0  o 3.7683  0.4266 2.1338  -180.0000 -0.09  0.00   0.00   0.00   
1 1 1 45 11 1  o 11.368  0.1409 9.3822  -70.9000  1.90   -1.03  -1.83  -0.39  
1 1 1 45 11 2  o 5.8728  0.2377 4.3102  -58.4000  1.16   1.19   0.69   -0.61  
1 1 1 45 11 3  o 7.7990  0.1935 8.2209  8.3000    1.00   -0.06  -0.01  0.69   
1 1 1 45 11 4  o 11.660  0.1493 11.460  -38.6000  0.58   -0.33  -0.12  -0.01  
1 1 1 45 11 5  o 3.5353  0.7764 3.2203  147.700   0.11   -0.21  0.00   0.00   
1 1 1 45 11 6  f 8.0980  0.2981 5.7250  68.400    -2.34  1.70   0.05   0.59   
1 1 1 45 11 7  o 6.7154  0.2122 7.5154  178.700   -0.51  0.58   0.51   -0.09  
1 1 1 45 11 8  o 4.3894  0.3588 5.3836  12.700    0.28   -0.34  0.06   0.02   
1 1 1 45 11 9  o 8.2512  0.2179 9.1809  106.400   -1.09  1.03   -0.31  0.16   
1 1 1 45 11 10 o 4.9423  0.5719 4.4202  116.200   -1.42  -0.77  -0.00  -0.15  
1 1 1 45 11 11 o 1.9621  0.6815 2.4539  151.700   0.21   0.10   -0.02  0.03   
1 1 1 45 11 12 f 4.5252  0.4077 4.6026  67.000    0.04   0.01   0.00   -0.00  
1 1 1 45 11 13 o 13.466  0.1854 13.001  96.300    0.17   0.09   0.00   0.00   
1 1 1 45 11 14 o 8.6896  0.2440 7.8587  -54.3000  0.55   0.68   0.08   0.04   
1 1 1 45 11 15 o 3.0334  0.5646 2.5451  -76.6000  -0.07  -0.30  -0.02  0.00   
1 1 1 45 11 16 o 3.2370  1.0308 ?       ?         -0.53  -0.03  -0.01  0.02   
1 1 1 45 11 17 o 6.3273  0.3616 ?       ?         0.23   0.97   0.01   0.05   
1 1 1 45 11 18 o 4.9536  1.1201 ?       ?         -0.25  -0.08  -0.00  0.00   
1 1 1 45 11 19 o 1.6758  0.9719 ?       ?         0.05   -0.05  0.00   -0.00  
1 1 1 45 11 20 o 2.7764  1.2842 ?       ?         0.28   -0.11  0.00   -0.00  
1 1 1 45 12 0  o 1.7889  0.7007 0.8559  180.000   0.00   0.00   0.00   0.00   
1 1 1 45 12 1  o 2.4068  0.4494 5.2430  83.000    0.27   0.04   -0.05  0.05   
1 1 1 45 12 2  o 4.5807  0.2747 3.1717  -156.1000 0.09   -0.19  -0.10  -0.01  
1 1 1 45 12 3  o 9.3488  0.3163 7.8785  -110.1000 -3.67  0.92   -0.53  0.73   
1 1 1 45 12 4  o 10.492  0.1888 8.8933  56.100    0.54   -1.62  0.07   0.45   
1 1 1 45 12 5  o 16.729  0.1422 15.171  -130.0000 -1.50  -1.20  1.26   0.03   
1 1 1 45 12 6  o 7.5916  0.1984 8.3717  -36.8000  0.66   -0.95  -0.67  0.40   
1 1 1 45 12 7  o 8.1626  0.1917 7.6573  -119.5000 -0.09  0.19   0.02   -0.03  
1 1 1 45 12 8  o 6.8666  0.2513 6.4881  83.900    0.12   0.32   -0.06  0.08   
1 1 1 45 12 9  o 7.5557  0.2276 8.8730  179.400   -0.65  -0.49  0.19   0.40   
1 1 1 45 12 10 o 7.2542  0.2581 5.8912  104.000   0.99   -0.42  0.05   0.15   
1 1 1 45 12 11 o 8.3988  0.3135 8.0440  80.100    -0.85  1.44   -0.07  0.19   
1 1 1 45 12 12 o 6.0244  0.3271 5.7377  151.700   0.09   0.06   -0.00  0.00   
1 1 1 45 12 13 o 3.5013  0.8075 3.5552  1.5000    0.36   0.88   0.07   -0.00  
1 1 1 45 12 14 o 8.2934  0.2747 8.6468  81.500    0.83   0.76   -0.12  0.04   
1 1 1 45 12 15 o 2.4416  0.8869 2.9851  -73.6000  0.49   -0.48  0.06   0.02   
1 1 1 45 12 16 o 5.4200  0.4580 ?       ?         -0.88  -1.31  -0.14  -0.01  
1 1 1 45 12 17 o 5.9832  0.4157 ?       ?         0.71   0.14   0.02   0.01   
1 1 1 45 12 18 o 6.3951  0.4331 ?       ?         0.40   1.03   -0.03  0.01   
1 1 1 45 12 19 o 2.8501  0.8490 ?       ?         0.50   -0.56  -0.02  -0.02  
1 1 1 45 12 20 o 0.0000  2.2282 ?       ?         -0.24  -0.24  0.00   0.01   
1 1 1 45 13 0  o 3.0496  0.5128 0.4760  0.0000    -0.08  0.00   0.00   0.00   
1 1 1 45 13 1  o 12.548  0.1623 12.409  15.400    -0.37  -0.07  -0.02  0.01   
1 1 1 45 13 2  o 3.7026  0.3148 4.7719  78.900    0.27   -0.20  0.09   0.06   
1 1 1 45 13 3  o 6.7291  0.2123 8.2520  41.900    -0.30  0.10   0.14   0.03   
1 1 1 45 13 4  o 6.3839  0.3389 7.9466  149.800   1.60   1.49   -0.14  -0.31  
1 1 1 45 13 5  o 5.7927  0.2791 6.1089  -136.1000 0.89   -1.21  -0.08  0.31   
1 1 1 45 13 6  o 3.1826  0.4842 3.4899  -6.2000   -0.30  0.47   -0.00  0.04   
1 1 1 45 13 7  o 6.9753  0.2272 5.0944  -151.0000 0.28   -1.03  -0.17  0.39   
1 1 1 45 13 8  o 3.7685  0.4078 4.0818  159.600   0.28   0.01   0.06   -0.04  
1 1 1 45 13 9  o 8.2613  0.2218 9.0603  -162.1000 -1.38  -0.02  -0.11  -0.35  
1 1 1 45 13 10 o 12.087  0.5079 13.068  -168.5000 -2.72  -6.05  1.12   -0.27  
1 1 1 45 13 11 o 1.6672  0.8220 0.4316  147.100   -0.28  -0.05  -0.01  -0.01  
1 1 1 45 13 12 o 3.8170  0.6290 3.0109  -171.8000 -0.14  0.23   0.00   0.00   
1 1 1 45 13 13 o 10.286  0.2259 9.4521  -56.6000  0.84   0.15   0.11   -0.01  
1 1 1 45 13 14 o 5.8197  0.3377 4.9487  -126.0000 -0.89  -0.76  0.13   0.23   
1 1 1 45 13 15 o 2.5255  0.6026 2.8987  121.700   0.12   0.43   -0.01  0.05   
1 1 1 45 13 16 o 2.8014  0.6494 ?       ?         0.08   -0.40  -0.02  -0.00  
1 1 1 45 13 17 o 3.4839  0.6648 ?       ?         0.53   -0.36  -0.01  -0.02  
1 1 1 45 13 18 o 4.0458  0.5787 ?       ?         0.40   -1.05  -0.02  -0.04  
1 1 1 45 13 19 o 0.6641  1.0019 ?       ?         0.14   0.07   0.00   0.00   
1 1 1 45 13 20 o 8.0170  1.1118 ?       ?         0.99   -0.71  -0.01  -0.00  
1 1 1 45 14 0  o 5.4681  0.3273 3.7606  0.0000    -0.28  0.00   0.00   0.00   
1 1 1 45 14 1  o 11.258  0.2484 12.819  -171.0000 -5.97  6.75   4.60   5.17   
1 1 1 45 14 2  o 10.438  0.2907 10.527  -172.6000 -0.37  2.18   0.32   -0.06  
1 1 1 45 14 3  o 11.369  0.1545 12.104  -100.3000 -0.63  0.00   0.00   0.21   
1 1 1 45 14 4  o 11.350  0.1622 11.465  58.900    0.68   0.75   -0.71  0.36   
1 1 1 45 14 5  o 6.3772  0.2426 7.1074  12.000    1.39   -1.49  0.32   0.44   
1 1 1 45 14 6  o 5.3818  0.3503 2.3218  91.000    0.57   -0.32  -0.04  0.02   
1 1 1 45 14 7  o 2.6920  0.4434 1.8857  145.700   -0.15  0.07   0.04   -0.02  
1 1 1 45 14 8  o 7.8864  0.2248 6.5205  -25.3000  -0.18  -0.12  0.01   -0.00  
1 1 1 45 14 9  o 8.0917  0.8039 7.6503  97.900    -4.82  6.12   -0.09  0.87   
1 1 1 45 14 10 o 8.9733  0.2217 8.6365  62.300    0.56   -0.24  0.10   0.02   
1 1 1 45 14 11 o 2.4931  0.5614 1.6146  134.100   -0.03  0.13   -0.01  0.01   
1 1 1 45 14 12 o 5.7125  0.3291 5.7276  -121.2000 -0.56  -0.12  0.02   0.08   
1 1 1 45 14 13 o 4.4865  0.6649 3.1744  136.200   -0.96  1.00   -0.07  0.07   
1 1 1 45 14 14 o 10.090  0.2266 10.379  -117.8000 0.19   0.46   -0.01  0.03   
1 1 1 45 14 15 f 1.5120  0.7821 2.7437  -154.6000 -0.02  0.14   -0.01  -0.00  
1 1 1 45 14 16 f 1.0096  0.8658 ?       ?         -0.06  -0.25  -0.02  0.00   
1 1 1 45 14 17 o 3.8793  0.9737 ?       ?         -0.11  -0.69  0.01   0.02   
1 1 1 45 14 18 o 3.0771  1.4716 ?       ?         -0.39  -0.28  0.01   -0.00  
1 1 1 45 14 19 o 7.2474  0.5147 ?       ?         -0.90  -1.38  -0.03  0.02   
1 1 1 45 14 20 o 5.7063  0.6073 ?       ?         0.28   -0.71  -0.00  -0.00  
1 1 1 45 15 0  o 1.7607  0.7056 2.4829  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 45 15 1  o 10.300  0.1551 7.9464  84.900    0.03   0.27   0.01   -0.02  
1 1 1 45 15 2  o 12.386  0.3625 12.719  51.000    8.05   2.58   -2.50  -0.57  
1 1 1 45 15 3  o 4.2363  0.2989 3.8752  -136.6000 -0.06  -1.41  0.46   0.31   
1 1 1 45 15 4  o 7.8043  0.2501 6.8140  -141.5000 -2.44  0.26   -0.46  0.39   
1 1 1 45 15 5  o 3.2123  0.3897 5.1328  -144.1000 -0.04  0.36   -0.13  -0.18  
1 1 1 45 15 6  o 5.9055  0.2526 5.9695  26.900    -0.00  0.67   -0.11  -0.29  
1 1 1 45 15 7  o 8.6491  0.1876 9.4742  -21.4000  0.42   -0.54  -0.12  0.05   
1 1 1 45 15 8  o 3.7637  0.5050 1.6545  60.300    0.04   -0.34  0.01   0.01   
1 1 1 45 15 9  o 9.6316  0.1934 8.7513  -16.5000  0.31   0.34   0.02   0.08   
1 1 1 45 15 10 o 13.403  0.2017 13.681  -20.0000  2.67   -0.52  -0.41  -0.52  
1 1 1 45 15 11 o 7.4198  0.3050 6.1290  67.800    -0.24  0.14   -0.01  -0.00  
1 1 1 45 15 12 o 8.9408  0.2338 6.5500  -25.3000  0.51   -0.08  0.02   0.03   
1 1 1 45 15 13 o 4.6382  0.4533 4.3310  -74.9000  0.65   -0.33  -0.04  -0.01  
1 1 1 45 15 14 o 1.3817  0.8416 0.9893  -108.7000 0.05   0.03   -0.00  0.00   
1 1 1 45 15 15 o 7.0234  0.5729 7.0450  100.300   1.65   0.91   -0.13  0.03   
1 1 1 45 15 16 o 2.4395  0.7481 ?       ?         0.07   -0.35  -0.00  -0.02  
1 1 1 45 15 17 o 5.7565  0.4522 ?       ?         -0.45  -0.48  0.00   0.02   
1 1 1 45 15 18 o 2.9895  1.3420 ?       ?         0.08   0.23   -0.00  -0.00  
1 1 1 45 15 19 o 4.2367  0.7112 ?       ?         -0.37  0.41   -0.00  -0.00  
1 1 1 45 15 20 o 0.8816  1.1733 ?       ?         -0.83  -0.26  0.02   0.01   
1 1 1 45 16 0  o 7.5366  0.2689 6.7010  0.0000    0.26   0.00   0.00   0.00   
1 1 1 45 16 1  o 5.9748  0.2206 4.9789  -153.3000 -0.08  0.57   0.13   -0.13  
1 1 1 45 16 2  o 3.0747  0.3509 2.5161  -120.5000 0.07   0.06   0.02   0.01   
1 1 1 45 16 3  o 5.3080  0.2395 4.4449  61.500    0.10   0.38   0.09   0.13   
1 1 1 45 16 4  o 0.9493  0.6945 1.4031  -132.1000 -0.04  0.17   0.04   -0.05  
1 1 1 45 16 5  o 5.2053  0.2771 6.3976  -153.0000 0.17   -0.16  0.06   -0.03  
1 1 1 45 16 6  o 5.2565  0.2776 6.2459  -55.7000  -0.24  0.05   -0.01  -0.04  
1 1 1 45 16 7  o 11.334  0.1628 11.865  80.700    0.85   0.52   -0.14  0.02   
1 1 1 45 16 8  o 6.9167  0.2139 6.2078  -91.4000  -0.17  -0.45  0.05   0.10   
1 1 1 45 16 9  o 6.8450  0.2568 7.9381  10.700    0.40   0.38   0.09   0.01   
1 1 1 45 16 10 o 1.1688  0.7546 0.4926  78.100    0.17   -0.01  0.00   0.02   
1 1 1 45 16 11 o 1.2861  0.7272 3.4889  -112.2000 -0.08  -0.07  0.00   0.01   
1 1 1 45 16 12 o 9.2142  0.2250 9.2896  -12.1000  1.39   0.71   0.21   -0.12  
1 1 1 45 16 13 o 7.3593  0.5423 7.0572  149.300   -1.17  -0.91  0.05   -0.06  
1 1 1 45 16 14 o 3.9356  0.4907 4.5958  -83.0000  0.55   -0.35  -0.02  -0.05  
1 1 1 45 16 15 o 5.8014  0.3724 ?       ?         -0.35  0.48   0.02   -0.04  
1 1 1 45 16 16 o 7.5039  0.3453 ?       ?         -0.59  0.55   0.01   -0.04  
1 1 1 45 16 17 o 5.0340  0.5274 ?       ?         -0.45  0.41   -0.01  -0.01  
1 1 1 45 16 18 o 3.9226  0.6777 ?       ?         -0.27  -0.73  -0.01  0.02   
1 1 1 45 16 19 o 7.0190  0.4807 ?       ?         2.39   -1.65  -0.00  -0.08  
1 1 1 45 16 20 o 3.2318  1.5018 ?       ?         0.25   0.02   0.00   -0.00  
1 1 1 45 17 0  o 15.489  0.1882 14.578  -180.0000 -0.00  0.00   0.00   0.00   
1 1 1 45 17 1  o 6.3710  0.2055 6.1697  -125.3000 -0.45  0.44   -0.33  0.05   
1 1 1 45 17 2  o 8.2432  0.3125 9.1137  -143.2000 -1.04  -4.45  1.20   -0.06  
1 1 1 45 17 3  o 7.6996  0.1761 7.4123  74.400    -0.29  -0.16  -0.05  0.01   
1 1 1 45 17 4  o 8.2859  0.3028 7.7614  90.000    1.77   -0.58  -0.11  0.20   
1 1 1 45 17 5  o 6.9896  0.2099 7.8704  -11.2000  1.48   -0.38  -0.06  0.42   
1 1 1 45 17 6  o 4.7671  0.2767 3.9847  27.300    0.34   -0.12  -0.05  -0.03  
1 1 1 45 17 7  o 5.1909  0.2515 4.2420  -120.0000 -0.59  -0.37  -0.08  -0.02  
1 1 1 45 17 8  o 8.0706  0.2259 6.9677  -105.2000 1.48   -0.83  -0.36  0.00   
1 1 1 45 17 9  o 3.1659  0.4901 4.0470  -119.9000 -0.53  -0.21  -0.05  0.01   
1 1 1 45 17 10 o 4.9178  0.3748 4.0131  59.800    0.99   -1.21  0.24   0.09   
1 1 1 45 17 11 o 2.5384  0.8888 1.3669  -120.2000 0.39   -0.33  -0.03  0.02   
1 1 1 45 17 12 f 7.6989  0.2464 9.3307  52.400    0.07   0.06   0.00   0.00   
1 1 1 45 17 13 o 4.1229  0.4563 4.8012  -173.1000 -0.58  -0.41  0.06   0.07   
1 1 1 45 17 14 o 4.1722  0.4924 5.3575  122.100   -0.13  0.34   -0.01  -0.01  
1 1 1 45 17 15 o 4.9682  0.4362 ?       ?         -0.35  0.01   0.01   0.01   
1 1 1 45 17 16 o 3.3495  0.8274 ?       ?         -0.09  0.68   -0.01  0.02   
1 1 1 45 17 17 o 3.1261  0.7039 ?       ?         0.39   0.10   0.01   -0.00  
1 1 1 45 17 18 o 3.8347  0.7056 ?       ?         -0.38  0.16   0.00   -0.00  
1 1 1 45 17 19 o 3.1692  0.8820 ?       ?         -0.36  0.32   -0.00  -0.00  
1 1 1 45 18 0  o 6.5345  0.2716 7.3237  -0.0000   0.39   0.00   0.00   0.00   
1 1 1 45 18 1  o 11.363  0.1410 10.625  -37.6000  1.08   -0.50  0.76   0.27   
1 1 1 45 18 2  o 5.3408  0.2265 4.8720  176.100   -0.14  0.29   -0.04  0.06   
1 1 1 45 18 3  o 5.2597  0.2359 5.6762  80.900    -1.37  0.46   -0.39  0.01   
1 1 1 45 18 4  o 8.4777  0.2130 7.4654  -145.0000 -1.38  0.83   0.13   0.33   
1 1 1 45 18 5  o 1.7533  0.5480 1.6290  51.000    -0.03  -0.15  -0.06  0.01   
1 1 1 45 18 6  o 11.073  0.3492 9.8798  50.900    6.55   0.69   -1.72  0.81   
1 1 1 45 18 7  o 11.565  0.1501 12.127  -108.7000 0.64   -0.00  0.13   -0.08  
1 1 1 45 18 8  o 4.3200  0.2880 4.8262  5.7000    -0.11  0.57   0.02   0.06   
1 1 1 45 18 9  o 4.8491  0.3256 2.8073  61.200    0.35   0.03   -0.01  0.03   
1 1 1 45 18 10 o 3.8295  0.3923 4.1105  -61.0000  -0.34  0.04   0.01   0.03   
1 1 1 45 18 11 o 5.5440  0.4902 4.5898  -101.3000 1.56   -1.33  -0.21  0.12   
1 1 1 45 18 12 o 11.628  0.1902 13.308  140.600   -1.99  -1.77  0.56   0.19   
1 1 1 45 18 13 o 2.7882  0.5695 3.2253  73.600    -0.21  -0.18  0.00   0.02   
1 1 1 45 18 14 o 8.6102  0.2647 8.4909  -139.2000 -1.22  -1.18  -0.01  0.29   
1 1 1 45 18 15 o 1.6997  0.8815 ?       ?         -0.31  -0.21  -0.02  0.02   
1 1 1 45 18 16 o 4.3558  0.5491 ?       ?         0.08   0.05   -0.00  0.00   
1 1 1 45 18 17 o 6.3870  0.7088 ?       ?         0.38   -0.18  -0.00  -0.00  
1 1 1 45 18 18 o 0.6628  1.0704 ?       ?         0.47   -0.43  0.00   -0.02  
1 1 1 45 18 19 o 4.4715  0.7704 ?       ?         -0.08  1.04   -0.01  0.01   
1 1 1 45 19 0  o 8.6891  0.2134 6.3614  180.000   -0.27  0.00   0.00   0.00   
1 1 1 45 19 1  o 8.9268  0.2349 7.5433  -9.9000   0.85   0.87   0.06   -0.11  
1 1 1 45 19 2  o 4.1597  0.2637 3.9078  -161.9000 -0.08  -0.20  -0.10  0.04   
1 1 1 45 19 3  o 5.0443  0.2289 4.8472  105.100   0.17   0.09   0.00   0.05   
1 1 1 45 19 4  o 4.3451  0.2722 2.1167  -9.9000   0.27   -0.15  -0.04  0.00   
1 1 1 45 19 5  o 6.4933  0.3217 7.6278  -66.6000  -1.18  -3.30  0.25   -0.87  
1 1 1 45 19 6  o 2.6913  0.4330 2.5240  -54.7000  0.16   -0.25  -0.06  0.02   
1 1 1 45 19 7  o 3.9221  0.3269 3.4191  -18.1000  0.94   0.00   -0.09  0.25   
1 1 1 45 19 8  o 7.9295  0.3356 8.5346  152.800   -0.79  0.57   -0.05  0.03   
1 1 1 45 19 9  o 6.5497  0.2548 6.1993  105.500   0.07   0.40   -0.02  -0.03  
1 1 1 45 19 10 f 5.1923  0.5428 3.9615  -175.0000 -2.05  -0.34  -0.10  -0.17  
1 1 1 45 19 11 o 7.8764  0.6348 7.7182  7.1000    0.67   1.97   0.11   0.00   
1 1 1 45 19 12 o 3.1141  0.4956 3.9205  141.900   -0.61  -0.20  0.04   -0.06  
1 1 1 45 19 13 o 5.1285  0.3675 4.5629  21.600    -0.05  -0.07  0.00   0.00   
1 1 1 45 19 14 o 1.8874  0.8947 2.3434  -139.7000 0.06   0.05   0.00   -0.00  
1 1 1 45 19 15 o 5.0304  0.4570 ?       ?         -0.57  -1.13  -0.02  0.10   
1 1 1 45 19 16 o 4.6826  0.5312 ?       ?         0.06   -0.07  0.00   -0.00  
1 1 1 45 19 17 o 2.9766  0.8347 ?       ?         -0.51  0.53   -0.01  -0.02  
1 1 1 45 19 18 f 4.7559  0.6488 ?       ?         -0.18  0.55   0.00   -0.01  
1 1 1 45 19 19 o 3.0590  1.0178 ?       ?         -0.08  0.24   -0.00  -0.00  
1 1 1 45 20 0  o 20.526  0.2360 22.647  -180.0000 -0.74  0.00   0.00   0.00   
1 1 1 45 20 1  o 3.3101  0.4211 2.8714  149.400   0.44   0.02   0.03   0.13   
1 1 1 45 20 2  o 4.3102  0.2646 2.5208  43.700    -0.06  -0.19  -0.05  0.01   
1 1 1 45 20 3  o 1.2086  0.5681 1.4176  -146.9000 -0.08  -0.01  -0.00  0.01   
1 1 1 45 20 4  o 10.144  0.3943 8.7604  178.400   -3.83  -3.48  -0.48  -0.72  
1 1 1 45 20 5  o 7.4099  0.1829 6.7101  -29.5000  0.08   0.51   -0.04  -0.10  
1 1 1 45 20 6  o 6.7181  0.2129 6.7300  -150.2000 -1.05  -0.49  -0.20  0.02   
1 1 1 45 20 7  o 6.1679  0.2189 4.7741  17.200    0.15   -0.45  0.04   -0.08  
1 1 1 45 20 8  o 4.1000  0.3299 3.8547  -142.3000 -0.47  0.24   -0.06  -0.07  
1 1 1 45 20 9  o 8.6375  0.2223 9.2122  -155.5000 -2.04  0.89   0.41   0.41   
1 1 1 45 20 10 o 3.2160  0.8287 3.3505  93.700    -0.61  0.55   0.03   0.04   
1 1 1 45 20 11 o 3.6916  0.3959 3.0112  -131.7000 0.22   0.44   0.03   0.06   
1 1 1 45 20 12 o 4.1935  0.4217 5.8519  75.800    0.05   0.11   -0.00  0.00   
1 1 1 45 20 13 o 6.6669  0.3012 6.8962  -60.6000  -0.06  0.06   0.00   -0.00  
1 1 1 45 20 14 o 3.5849  0.5251 ?       ?         -0.18  -0.13  0.00   0.00   
1 1 1 45 20 15 o 5.1023  0.4345 ?       ?         0.18   -0.37  0.00   -0.01  
1 1 1 45 20 16 o 1.9444  0.8884 ?       ?         0.18   -0.35  -0.01  -0.01  
1 1 1 45 20 17 o 7.4142  0.4645 ?       ?         1.15   1.24   -0.02  0.05   
1 1 1 45 20 18 o 5.6160  0.6547 ?       ?         1.19   -0.62  0.01   0.01   
1 1 1 45 20 19 o 2.1623  1.1583 ?       ?         -0.80  -0.20  0.01   0.01   
1 1 1 45 21 0  o 3.3615  0.5978 0.1653  -0.0000   -0.06  0.00   0.00   0.00   
1 1 1 45 21 1  o 2.6554  0.4506 3.7295  79.300    0.11   -0.05  0.01   -0.01  
1 1 1 45 21 2  o 9.8556  0.1928 8.6268  93.300    -0.14  -0.23  0.01   0.00   
1 1 1 45 21 3  o 14.427  0.1486 14.523  51.000    1.55   1.82   -0.99  0.35   
1 1 1 45 21 4  o 4.7205  0.3705 3.4414  -19.6000  -0.55  0.04   -0.03  -0.01  
1 1 1 45 21 5  o 8.3769  0.1692 7.3532  128.800   -0.74  -1.43  -0.39  -0.38  
1 1 1 45 21 6  o 4.6976  0.4194 4.3429  -36.8000  1.29   1.02   0.05   -0.17  
1 1 1 45 21 7  o 6.6501  0.2084 6.0444  163.300   -0.45  0.02   -0.01  0.04   
1 1 1 45 21 8  o 5.1990  0.2693 5.4564  -100.1000 0.52   -0.38  0.05   -0.17  
1 1 1 45 21 9  f 1.6734  0.6391 0.6846  67.100    0.02   0.14   -0.01  -0.00  
1 1 1 45 21 10 o 6.8993  0.2663 7.2143  -177.6000 -1.58  0.42   0.49   -0.30  
1 1 1 45 21 11 o 4.7289  0.3622 4.5553  -97.0000  0.16   0.54   -0.04  -0.03  
1 1 1 45 21 12 o 1.1233  0.8407 0.8792  79.000    -0.04  -0.03  -0.00  0.00   
1 1 1 45 21 13 o 6.2008  0.3305 6.1994  52.900    -0.60  2.12   -0.21  0.24   
1 1 1 45 21 14 o 3.9564  0.4697 ?       ?         -0.29  -0.26  -0.01  0.01   
1 1 1 45 21 15 o 2.5570  0.8015 ?       ?         -0.05  0.10   0.00   -0.00  
1 1 1 45 21 16 o 6.3035  0.4540 ?       ?         0.75   -0.21  0.01   0.01   
1 1 1 45 21 17 o 4.9177  0.7070 ?       ?         -0.26  -0.46  -0.01  0.00   
1 1 1 45 21 18 o 4.6172  0.7790 ?       ?         1.04   -0.28  0.00   -0.00  
1 1 1 45 21 19 o 4.8345  0.9265 ?       ?         -0.03  -0.61  0.00   -0.00  
1 1 1 45 22 0  o 3.7148  0.5360 4.5006  -180.0000 -0.32  0.00   0.00   0.00   
1 1 1 45 22 1  o 2.5301  0.4840 2.6682  106.100   -0.13  -0.43  0.01   0.15   
1 1 1 45 22 2  o 2.9837  0.7795 3.5174  -14.4000  -0.02  -0.23  0.00   0.00   
1 1 1 45 22 3  o 4.7489  0.3382 5.9374  -102.1000 -0.42  -0.13  0.04   -0.05  
1 1 1 45 22 4  o 7.2089  0.1996 6.8936  18.900    0.37   0.65   -0.24  0.12   
1 1 1 45 22 5  o 3.7283  0.3263 3.4355  61.800    -0.21  0.10   0.01   -0.04  
1 1 1 45 22 6  o 11.829  0.1766 11.881  -70.4000  -3.41  -2.27  -1.60  0.01   
1 1 1 45 22 7  o 2.9261  0.9245 1.8491  34.500    -0.50  1.37   0.11   0.04   
1 1 1 45 22 8  o 5.1689  0.2663 6.9434  133.100   0.24   0.15   0.02   -0.01  
1 1 1 45 22 9  o 1.9425  0.5514 1.0329  35.600    -0.08  0.22   -0.01  -0.04  
1 1 1 45 22 10 o 2.2059  0.9094 1.1653  167.300   0.41   0.31   0.05   -0.04  
1 1 1 45 22 11 o 1.6984  0.8245 2.3199  39.300    0.13   -0.10  0.01   0.00   
1 1 1 45 22 12 o 3.4141  0.4815 3.3649  -122.1000 0.09   0.06   -0.00  0.00   
1 1 1 45 22 13 o 5.2097  0.4029 5.6950  178.600   -0.30  -0.36  -0.02  0.01   
1 1 1 45 22 14 o 1.7067  0.8479 ?       ?         0.20   0.27   0.01   0.02   
1 1 1 45 22 15 o 4.9603  0.7245 ?       ?         0.98   0.43   -0.02  0.02   
1 1 1 45 22 16 o 1.8567  1.0539 ?       ?         -0.20  -0.22  -0.00  0.00   
1 1 1 45 22 17 o 3.2828  0.9424 ?       ?         -0.11  0.07   -0.00  -0.00  
1 1 1 45 22 18 o 3.2902  1.5334 ?       ?         -0.30  0.50   -0.01  -0.00  
1 1 1 45 23 0  o 1.8708  0.8151 4.2420  -0.0000   -0.02  0.00   0.00   0.00   
1 1 1 45 23 1  o 7.3133  0.2186 6.9669  -172.2000 -0.49  -0.48  0.04   0.25   
1 1 1 45 23 2  o 7.6655  0.5045 6.7295  128.100   -5.54  4.43   -1.11  1.21   
1 1 1 45 23 3  o 6.5397  0.2660 7.2023  -55.1000  -0.31  -0.74  0.07   0.02   
1 1 1 45 23 4  o 6.5258  0.2704 6.6080  41.000    -0.07  -0.13  -0.01  -0.00  
1 1 1 45 23 5  o 6.1553  0.2136 5.6135  -173.4000 -0.45  1.56   -0.09  -1.06  
1 1 1 45 23 6  o 6.0097  0.2619 5.6455  121.900   0.17   1.53   0.08   -0.28  
1 1 1 45 23 7  o 0.0000  1.3891 ?       ?         -0.18  -0.21  0.04   -0.02  
1 1 1 45 23 8  o 4.4859  0.2861 3.2589  98.700    0.05   0.67   -0.15  0.08   
1 1 1 45 23 9  o 7.2490  0.3275 7.0838  38.100    0.60   0.47   0.03   -0.03  
1 1 1 45 23 10 o 6.0294  0.2677 6.9842  -134.3000 -1.00  -1.20  0.32   0.17   
1 1 1 45 23 11 o 4.0198  0.7286 3.6414  170.300   -0.06  0.21   0.00   0.00   
1 1 1 45 23 12 o 4.8723  0.3651 4.1798  -74.4000  0.60   -0.74  0.08   -0.06  
1 1 1 45 23 13 o 3.7897  0.4853 ?       ?         -0.10  -0.30  -0.00  0.01   
1 1 1 45 23 14 o 1.5146  0.9225 ?       ?         0.01   -0.25  -0.01  0.00   
1 1 1 45 23 15 o 3.1194  0.7510 ?       ?         0.50   0.10   0.01   0.00   
1 1 1 45 23 16 o 5.5329  1.5131 ?       ?         -0.33  -0.91  -0.01  -0.01  
1 1 1 45 23 17 o 4.0006  0.9624 ?       ?         0.48   -0.35  0.00   -0.00  
1 1 1 45 23 18 o 3.9351  0.9484 ?       ?         0.45   0.10   0.00   0.00   
1 1 1 45 24 0  o 5.8224  0.3782 5.6504  180.000   0.19   0.00   0.00   0.00   
1 1 1 45 24 1  o 4.2014  0.9635 2.9997  -174.9000 0.66   -0.58  -0.01  0.02   
1 1 1 45 24 2  o 6.5764  0.2418 5.6664  18.300    1.06   -0.39  -0.18  -0.14  
1 1 1 45 24 3  o 2.3249  1.0482 1.6666  -78.5000  -0.25  -0.68  0.02   -0.08  
1 1 1 45 24 4  o 13.179  0.2631 14.245  105.300   -5.51  0.34   -0.89  -1.41  
1 1 1 45 24 5  o 7.9818  0.2292 6.5579  -74.3000  -0.10  -0.37  0.00   0.03   
1 1 1 45 24 6  o 10.074  0.2914 9.5850  -177.2000 -2.48  2.65   0.77   0.28   
1 1 1 45 24 7  o 5.0189  0.2335 4.0147  160.200   -1.04  0.16   -0.11  -0.19  
1 1 1 45 24 8  o 1.7957  0.5419 1.1799  81.300    0.01   -0.04  0.00   -0.00  
1 1 1 45 24 9  o 1.8712  0.6621 1.6189  -32.9000  0.29   -0.02  -0.01  0.02   
1 1 1 45 24 10 o 7.9315  0.3811 8.4393  63.400    -1.55  3.02   -0.28  0.49   
1 1 1 45 24 11 o 4.0171  0.3981 4.7115  165.100   -0.69  -0.32  0.05   -0.02  
1 1 1 45 24 12 o 0.0000  1.6690 ?       ?         0.10   0.05   0.00   0.01   
1 1 1 45 24 13 o 3.3141  0.7575 ?       ?         0.26   0.43   0.01   0.01   
1 1 1 45 24 14 o 5.9425  0.4635 ?       ?         0.72   -1.33  0.01   -0.04  
1 1 1 45 24 15 o 4.5680  0.6531 ?       ?         -0.64  1.17   -0.04  -0.01  
1 1 1 45 24 16 o 3.4315  0.8763 ?       ?         0.14   -0.07  0.00   -0.00  
1 1 1 45 24 17 o 3.5474  1.0310 ?       ?         -0.25  -0.00  0.00   -0.00  
1 1 1 45 24 18 o 0.0000  2.6852 ?       ?         -0.70  0.19   0.01   -0.00  
1 1 1 45 25 0  f 14.467  0.2145 13.875  -180.0000 0.59   0.00   0.00   0.00   
1 1 1 45 25 1  o 3.9580  0.3382 4.7184  46.400    0.11   0.15   -0.01  -0.00  
1 1 1 45 25 2  o 5.7014  0.2668 7.1356  162.000   -1.14  -0.45  0.03   -0.16  
1 1 1 45 25 3  o 2.1558  0.5400 1.3170  -167.6000 0.15   0.04   0.02   0.00   
1 1 1 45 25 4  o 3.2454  0.7554 1.9568  97.700    -0.44  -0.44  0.01   -0.02  
1 1 1 45 25 5  o 5.2051  0.3150 5.7673  103.600   0.16   0.80   -0.19  0.09   
1 1 1 45 25 6  o 6.8383  0.2049 7.3615  91.200    -0.14  0.24   -0.02  0.00   
1 1 1 45 25 7  f 10.124  0.1744 10.009  -174.0000 -0.12  -1.48  -0.08  0.29   
1 1 1 45 25 8  o 6.7205  0.2859 7.1666  57.500    0.18   -0.17  -0.00  0.00   
1 1 1 45 25 9  o 6.8029  0.3044 6.5396  -172.5000 0.14   0.50   -0.00  -0.02  
1 1 1 45 25 10 o 7.1726  0.2308 8.3895  -81.3000  1.59   -1.08  0.35   0.05   
1 1 1 45 25 11 o 7.9084  0.2743 9.0633  156.400   -0.27  -0.51  -0.02  0.03   
1 1 1 45 25 12 o 8.3338  0.2972 8.3863  -83.5000  0.12   -1.01  -0.03  -0.05  
1 1 1 45 25 13 o 6.9169  0.4443 ?       ?         0.53   -1.68  -0.09  0.04   
1 1 1 45 25 14 o 2.1612  0.8922 ?       ?         -0.02  -0.13  -0.00  0.00   
1 1 1 45 25 15 f 9.8823  0.5258 ?       ?         3.50   2.63   -0.01  0.14   
1 1 1 45 25 16 o 2.6598  1.0896 ?       ?         -0.09  -0.00  0.00   0.00   
1 1 1 45 25 17 o 3.3858  1.1976 ?       ?         1.29   0.05   -0.00  0.01   
1 1 1 45 25 18 o 6.7528  1.0629 ?       ?         -0.92  -1.47  0.00   0.00   
1 1 1 45 26 0  o 5.2915  0.6739 5.7901  0.0000    0.31   0.00   0.00   0.00   
1 1 1 45 26 1  f 8.2348  0.7370 8.4715  161.000   -1.86  2.98   0.20   0.11   
1 1 1 45 26 2  o 3.6155  0.4075 2.1276  53.100    -0.51  0.41   -0.07  -0.01  
1 1 1 45 26 3  o 8.1479  0.5101 9.0232  98.100    0.96   3.19   0.30   0.02   
1 1 1 45 26 4  o 6.0866  0.2443 6.9118  66.300    -1.21  0.35   0.12   0.22   
1 1 1 45 26 5  f 3.1704  0.4246 1.8983  -11.8000  0.83   0.24   0.08   -0.13  
1 1 1 45 26 6  o 9.6576  0.2223 9.6199  59.300    -1.16  2.52   -0.84  0.12   
1 1 1 45 26 7  o 4.9076  0.5629 3.6656  -67.0000  -2.04  1.62   -0.21  0.16   
1 1 1 45 26 8  o 1.3512  0.6372 2.0514  -83.6000  -0.01  -0.04  -0.00  -0.00  
1 1 1 45 26 9  o 3.7557  0.3717 2.9584  3.2000    -0.14  0.25   0.00   -0.01  
1 1 1 45 26 10 o 5.7568  0.4884 5.6764  -171.5000 -0.09  -1.19  0.01   -0.06  
1 1 1 45 26 11 o 4.2141  0.5656 3.4235  -78.9000  -0.56  -0.07  -0.01  0.01   
1 1 1 45 26 12 o 8.3628  0.3051 ?       ?         -0.09  0.30   -0.00  -0.00  
1 1 1 45 26 13 f 3.9006  0.6364 ?       ?         0.12   0.33   -0.00  -0.00  
1 1 1 45 26 14 o 5.0766  0.7840 ?       ?         -0.36  -0.58  0.00   0.01   
1 1 1 45 26 15 o 0.0000  2.4697 ?       ?         -0.15  -0.11  0.00   0.00   
1 1 1 45 26 16 o 2.7252  1.2753 ?       ?         -0.06  -0.15  -0.00  0.00   
1 1 1 45 26 17 o 2.9665  1.4667 ?       ?         -0.70  -0.13  0.00   0.00   
1 1 1 45 27 0  o 2.0494  1.0055 3.9148  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 45 27 1  o 3.9245  0.5926 4.0307  36.600    0.17   0.07   0.00   0.00   
1 1 1 45 27 2  f 10.967  0.2793 12.515  -108.3000 -0.46  -1.69  -0.01  0.20   
1 1 1 45 27 3  o 5.2309  0.3071 3.0554  148.000   -0.24  0.36   -0.03  -0.02  
1 1 1 45 27 4  o 7.1258  0.2760 7.2202  29.800    0.38   0.38   0.02   0.00   
1 1 1 45 27 5  o 0.0000  1.4455 ?       ?         0.05   -0.02  -0.00  -0.00  
1 1 1 45 27 6  o 8.6744  0.2032 9.7605  -139.0000 -1.14  -0.93  -0.17  0.22   
1 1 1 45 27 7  o 9.0607  0.2112 9.3696  -131.1000 0.09   -1.12  -0.05  -0.12  
1 1 1 45 27 8  o 3.3319  0.3576 3.3501  -62.9000  -0.46  -0.45  -0.07  0.01   
1 1 1 45 27 9  o 3.6730  0.4180 4.7144  20.500    0.00   -0.19  -0.00  0.00   
1 1 1 45 27 10 o 8.4774  0.2659 8.4149  -40.8000  2.05   -0.03  0.28   0.05   
1 1 1 45 27 11 o 3.4807  0.8821 4.1749  123.100   -0.08  0.56   -0.00  0.02   
1 1 1 45 27 12 o 2.0209  0.8575 ?       ?         0.05   0.26   -0.01  -0.00  
1 1 1 45 27 13 o 6.3205  0.4754 ?       ?         -0.45  -1.78  -0.05  -0.01  
1 1 1 45 27 14 o 0.9144  1.2413 ?       ?         0.06   0.30   -0.00  0.00   
1 1 1 45 27 15 o 6.5334  0.7291 ?       ?         -1.19  -0.67  -0.01  0.01   
1 1 1 45 27 16 o 5.4037  1.0514 ?       ?         -0.18  -0.56  0.00   0.00   
1 1 1 45 27 17 o 3.3166  1.2977 ?       ?         -0.85  0.43   0.00   0.00   
1 1 1 45 28 0  o 3.0984  0.8086 3.4983  -0.0000   0.04   0.00   0.00   0.00   
1 1 1 45 28 1  o 7.8588  0.3576 8.3693  164.900   -0.89  1.88   -0.37  -0.04  
1 1 1 45 28 2  o 1.5173  0.9213 0.3257  176.600   -0.16  0.40   -0.04  0.03   
1 1 1 45 28 3  o 3.3176  0.6621 4.6483  -156.4000 -0.28  -0.38  0.02   0.01   
1 1 1 45 28 4  o 6.6797  0.2497 6.4048  -112.0000 -0.08  -1.47  -0.27  0.10   
1 1 1 45 28 5  o 3.8532  1.2381 3.7938  -85.9000  0.55   0.23   -0.00  -0.02  
1 1 1 45 28 6  o 0.6381  0.7271 1.8087  126.800   0.03   0.11   0.00   0.00   
1 1 1 45 28 7  o 9.1062  0.4823 8.9988  -1.1000   0.34   -1.76  0.07   -0.06  
1 1 1 45 28 8  o 2.2899  0.6463 2.1139  176.700   -0.53  0.73   0.08   0.00   
1 1 1 45 28 9  o 1.9503  0.9147 1.2383  -146.6000 -0.23  -0.04  0.00   0.01   
1 1 1 45 28 10 o 5.1786  0.3964 4.8954  111.400   -0.38  0.95   0.02   -0.06  
1 1 1 45 28 11 o 6.9888  0.3501 ?       ?         0.17   0.45   -0.01  0.00   
1 1 1 45 28 12 o 1.5547  1.0893 ?       ?         -0.07  0.32   -0.01  0.00   
1 1 1 45 28 13 o 2.1279  1.1413 ?       ?         -0.03  -0.19  -0.00  0.00   
1 1 1 45 28 14 o 0.8401  1.2699 ?       ?         -0.19  -0.47  -0.00  0.01   
1 1 1 45 28 15 o 4.3359  1.0650 ?       ?         -0.82  -0.71  0.00   0.00   
1 1 1 45 29 0  o 3.6469  0.8391 2.3402  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 45 29 1  o 9.2586  0.4040 9.5666  66.600    0.44   1.21   0.04   0.05   
1 1 1 45 29 2  o 6.5036  0.3983 7.3585  -157.1000 -0.15  -0.96  0.01   0.06   
1 1 1 45 29 3  o 2.1486  0.8907 2.6528  69.400    -0.40  0.45   -0.06  -0.02  
1 1 1 45 29 4  o 7.4809  0.3504 5.6994  -43.4000  0.77   0.36   0.04   0.04   
1 1 1 45 29 5  o 7.6596  0.7707 6.3504  -77.1000  3.85   -2.03  -0.37  0.04   
1 1 1 45 29 6  o 4.6899  0.7043 4.9113  -48.2000  0.46   -0.71  0.03   -0.01  
1 1 1 45 29 7  o 3.7241  0.6508 4.3410  113.800   0.68   0.19   0.03   -0.00  
1 1 1 45 29 8  o 4.6539  0.7428 4.8329  -160.2000 -1.03  -1.23  0.01   0.07   
1 1 1 45 29 9  o 4.3893  0.8345 4.0072  6.3000    -0.07  0.05   -0.00  0.00   
1 1 1 45 29 10 o 5.4897  0.4267 ?       ?         -0.33  0.33   -0.00  -0.01  
1 1 1 45 29 11 o 5.1260  0.6283 ?       ?         0.00   0.22   -0.00  0.00   
1 1 1 45 29 12 o 7.2779  0.9524 ?       ?         -1.07  0.23   0.00   -0.01  
1 1 1 45 29 13 o 2.2583  1.4630 ?       ?         -0.38  1.08   0.00   0.00   
1 1 1 45 29 14 o 9.1978  0.7515 ?       ?         -0.27  2.05   0.00   0.00   
1 1 1 45 30 0  o 0.0000  2.7749 0.4450  -0.0000   -0.13  0.00   0.00   0.00   
1 1 1 45 30 1  f 2.3553  0.7485 0.3567  130.600   -0.14  0.26   0.00   -0.01  
1 1 1 45 30 2  o 6.7792  0.4017 6.2424  -101.3000 0.46   -0.14  0.02   -0.00  
1 1 1 45 30 3  o 6.6885  0.4122 6.5594  164.300   -1.20  1.80   0.10   -0.27  
1 1 1 45 30 4  o 4.1727  0.5466 4.5555  -53.3000  0.06   0.14   0.00   0.00   
1 1 1 45 30 5  o 7.3575  0.4435 7.8704  -154.6000 -0.32  0.22   0.00   -0.01  
1 1 1 45 30 6  o 7.6004  0.3922 7.8141  -29.2000  1.19   -1.15  -0.04  -0.11  
1 1 1 45 30 7  o 6.5132  0.6948 6.6226  126.300   -0.12  -0.33  -0.00  -0.00  
1 1 1 45 30 8  o 2.5937  1.2418 1.5993  61.200    0.35   0.19   0.00   0.00   
1 1 1 45 30 9  o 5.5009  0.3528 5.0244  -36.5000  0.05   -0.08  -0.00  -0.00  
1 1 1 45 30 10 o 7.9267  0.4264 ?       ?         -1.55  -0.72  -0.01  0.02   
1 1 1 45 30 11 o 1.0954  1.1985 ?       ?         0.55   0.25   0.00   0.00   
1 1 1 45 30 12 o 2.8107  1.1995 ?       ?         -0.33  0.08   0.00   0.00   
1 1 1 45 31 0  o 7.2319  0.5806 7.9483  180.000   -0.37  0.00   0.00   0.00   
1 1 1 45 31 1  o 6.6138  0.4208 6.3261  166.700   -0.65  -0.76  0.00   0.06   
1 1 1 45 31 2  o 4.1214  0.5378 3.8044  67.700    0.62   1.28   0.08   0.10   
1 1 1 45 31 3  f 9.7158  0.4465 9.5082  -131.8000 0.14   -1.79  -0.05  0.07   
1 1 1 45 31 4  o 3.9141  0.6853 2.7864  -107.9000 0.24   -0.24  0.00   -0.01  
1 1 1 45 31 5  o 2.6066  1.2387 1.6000  -42.7000  -0.18  0.15   -0.00  -0.00  
1 1 1 45 31 6  o 0.0000  2.5107 ?       ?         -0.36  0.28   0.00   -0.02  
1 1 1 45 31 7  o 3.7551  1.0028 3.7602  86.400    -0.17  0.63   -0.01  -0.00  
1 1 1 45 31 8  o 4.3807  1.1271 2.0551  -63.5000  0.10   0.46   -0.00  0.00   
1 1 1 45 31 9  o 3.9416  0.8540 ?       ?         0.40   0.66   0.00   0.01   
1 1 1 45 31 10 o 6.8191  0.4721 ?       ?         -1.53  -0.29  0.00   0.00   
1 1 1 45 32 0  o 9.8133  0.5401 9.6793  180.000   0.44   0.00   0.00   0.00   
1 1 1 45 32 1  o 5.1741  0.7686 5.0104  -106.9000 0.12   -1.53  0.01   -0.08  
1 1 1 45 32 2  o 3.0938  0.7646 2.9393  -25.6000  -0.06  -0.66  -0.04  0.00   
1 1 1 45 32 3  o 10.531  0.5025 10.278  160.100   -0.36  0.87   -0.01  -0.01  
1 1 1 45 32 4  o 3.7449  1.4602 2.7591  -66.3000  -0.26  0.21   -0.00  -0.00  
1 1 1 45 32 5  o 2.4659  1.1533 2.3938  -167.7000 -0.46  0.07   0.01   0.00   
1 1 1 45 32 6  o 3.0501  1.1628 1.3340  -23.2000  0.06   -0.57  -0.01  0.00   
1 1 1 45 32 7  o 5.2808  0.8544 4.9577  -78.8000  0.25   0.05   0.00   -0.00  
1 1 1 45 32 8  o 6.1020  0.7421 ?       ?         -0.54  0.20   0.00   -0.00  
1 1 1 45 32 9  o 4.5166  1.6423 ?       ?         0.01   0.35   0.00   0.00   
1 1 1 45 33 0  f 6.3640  0.9830 3.6722  -180.0000 -0.30  0.00   0.00   0.00   
1 1 1 45 33 1  o 3.6423  0.9886 3.6269  102.600   -0.53  0.28   0.01   -0.01  
1 1 1 45 33 2  o 2.0955  1.1491 0.5200  54.200    0.09   0.05   -0.00  0.00   
1 1 1 45 33 3  o 3.7612  0.9478 4.3429  -105.3000 0.13   -0.30  -0.00  -0.00  
1 1 1 45 33 4  o 3.5713  0.9875 4.3799  155.100   -0.67  0.33   0.01   -0.01  
1 1 1 45 33 5  o 1.8669  1.1494 0.8489  -96.3000  0.39   0.36   0.02   0.01   
1 1 1 45 33 6  o 2.9409  1.3943 1.8358  14.800    0.04   0.36   -0.00  -0.00  
1 1 1 45 33 7  o 5.1483  0.9089 ?       ?         -1.34  -0.29  0.00   0.01   
1 1 1 45 33 8  o 4.2034  1.3155 ?       ?         0.68   1.00   0.00   0.00   
1 1 1 45 34 0  o 7.7846  0.8883 8.9757  -0.0000   -0.35  0.00   0.00   0.00   
1 1 1 45 34 1  o 2.3666  1.1373 1.0977  -34.1000  -0.23  -0.29  -0.00  0.00   
1 1 1 45 34 2  o 0.0000  2.7105 ?       ?         -0.57  -0.34  0.01   0.01   
1 1 1 45 34 3  o 4.4968  0.8417 3.8262  -26.6000  1.53   0.01   0.03   -0.00  
1 1 1 45 34 4  o 4.5637  0.8313 3.1008  68.500    -0.23  -0.14  0.00   0.00   
1 1 1 45 34 5  o 3.6646  0.8342 3.0733  6.1000    0.47   -0.01  0.01   0.00   
1 1 1 45 34 6  o 9.4684  0.5371 ?       ?         0.84   1.41   -0.01  0.01   
1 1 1 45 34 7  o 5.7632  2.1529 ?       ?         -0.57  -0.01  -0.00  -0.00  
1 1 1 45 35 0  o 3.3615  1.2602 3.4675  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 45 35 1  o 2.5105  1.1861 3.7487  56.900    0.42   0.31   -0.01  0.01   
1 1 1 45 35 2  o 8.4903  0.5860 8.5452  172.200   -2.80  -0.00  0.05   -0.05  
1 1 1 45 35 3  o 3.2837  1.1274 1.0313  177.700   -0.02  0.17   -0.00  -0.00  
1 1 1 45 35 4  o 3.9236  0.9914 ?       ?         0.12   0.02   0.00   -0.00  
1 1 1 45 35 5  o 8.9232  0.6289 ?       ?         -0.10  2.66   -0.00  -0.03  
1 1 1 45 35 6  o 9.3220  1.2107 ?       ?         0.77   -0.14  0.00   0.00   
1 1 1 45 36 0  o 0.0000  3.7947 ?       ?         0.02   0.00   0.00   0.00   
1 1 1 45 36 1  o 6.5633  0.8274 ?       ?         0.03   1.52   -0.00  -0.02  
1 1 1 45 36 2  o 3.2397  1.4977 ?       ?         0.56   0.23   0.00   0.01   
1 1 1 45 36 3  o 3.7024  1.2770 ?       ?         0.24   -0.18  -0.00  -0.00  
1 1 1 45 36 4  o 3.0581  1.4869 ?       ?         0.06   -0.12  0.00   -0.00  
1 1 1 45 37 0  o 5.0596  1.0850 ?       ?         0.95   0.00   0.00   0.00   
1 1 1 45 37 1  o 3.3317  1.4918 ?       ?         0.28   0.57   0.00   0.00   
1 1 1 46 0  0  o 1.0000  0.9849 1.5152  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 46 0  1  o 9.7980  0.2196 8.9015  135.000   -0.33  0.33   0.00   0.00   
1 1 1 46 0  2  o 8.7636  0.2333 7.8167  90.000    0.00   0.32   0.00   0.00   
1 1 1 46 0  3  o 2.1679  0.6632 3.5067  -135.0000 -0.07  -0.07  0.00   0.00   
1 1 1 46 0  4  o 9.9700  0.2351 7.0469  180.000   -0.30  0.00   0.00   0.00   
1 1 1 46 0  5  o 8.4202  0.2758 9.7447  135.000   -0.24  0.24   0.00   0.00   
1 1 1 46 0  6  o 1.0488  0.8583 2.0233  90.000    0.00   0.01   0.00   0.00   
1 1 1 46 0  7  f 4.3243  0.4482 3.6998  -135.0000 -0.08  -0.08  0.00   0.00   
1 1 1 46 0  8  o 3.3466  0.6207 7.6787  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 46 0  9  o 0.0000  2.2361 3.0466  -45.0000  0.00   -0.00  0.00   0.00   
1 1 1 46 0  10 o 0.0000  2.2136 0.0867  90.000    0.00   0.04   0.00   0.00   
1 1 1 46 0  11 o 12.558  0.2613 13.407  45.000    0.44   0.44   0.00   0.00   
1 1 1 46 0  12 o 1.1402  1.0052 3.0010  180.000   0.05   0.00   0.00   0.00   
1 1 1 46 0  13 o 4.1352  0.6058 3.4500  135.000   0.05   -0.05  0.00   0.00   
1 1 1 46 0  14 o 10.658  0.2966 11.440  -90.0000  -0.00  -0.76  0.00   0.00   
1 1 1 46 0  15 o 1.6733  0.9643 2.1144  -135.0000 0.10   0.10   0.00   0.00   
1 1 1 46 0  16 o 0.0000  2.4900 0.5003  0.0000    -0.03  0.00   0.00   0.00   
1 1 1 46 0  17 o 9.5812  0.3715 ?       ?         0.13   -0.13  0.00   0.00   
1 1 1 46 0  18 o 2.6646  0.8579 ?       ?         -0.00  -0.15  0.00   0.00   
1 1 1 46 0  19 o 2.5495  1.0813 ?       ?         -0.06  -0.06  0.00   0.00   
1 1 1 46 0  20 o 4.4944  0.8555 ?       ?         -0.82  0.00   0.00   0.00   
1 1 1 46 1  0  o 0.0000  1.9494 1.1974  0.0000    0.02   0.00   0.00   0.00   
1 1 1 46 1  1  f 8.1984  0.1847 7.5785  -99.5000  -0.67  -1.84  0.74   -0.03  
1 1 1 46 1  2  o 7.7362  0.1886 7.0353  -24.4000  -0.60  0.32   0.42   -0.79  
1 1 1 46 1  3  f 4.4460  0.2914 6.8593  99.100    -0.72  -0.01  -0.10  -0.06  
1 1 1 46 1  4  o 3.9101  0.5843 3.4165  108.200   -0.97  0.01   -0.05  -0.02  
1 1 1 46 1  5  o 2.8754  1.1563 3.0874  178.500   1.82   0.78   -0.15  -0.26  
1 1 1 46 1  6  o 8.0609  0.4234 7.7399  38.700    4.31   0.91   -0.79  -0.08  
1 1 1 46 1  7  o 14.232  0.1447 13.645  -8.0000   -0.13  -0.05  0.01   -0.00  
1 1 1 46 1  8  o 2.3194  1.0741 3.1032  165.900   -0.35  -0.04  -0.02  0.00   
1 1 1 46 1  9  o 9.3238  0.2123 8.6947  -25.1000  0.95   0.38   -0.16  0.06   
1 1 1 46 1  10 o 7.6375  0.2678 5.8617  -66.9000  0.61   -1.26  0.24   -0.04  
1 1 1 46 1  11 o 2.7623  1.2557 2.0042  -75.0000  0.08   0.22   0.00   -0.01  
1 1 1 46 1  12 o 4.2317  0.4204 4.7876  158.400   0.44   0.04   -0.01  0.04   
1 1 1 46 1  13 o 3.2450  0.5924 2.2175  88.500    -0.56  0.45   -0.07  0.02   
1 1 1 46 1  14 o 7.4759  0.2931 6.8180  -107.0000 -0.05  -1.34  -0.30  -0.12  
1 1 1 46 1  15 o 2.1532  0.7185 1.6792  93.300    0.31   0.28   -0.05  0.03   
1 1 1 46 1  16 o 6.3592  0.3487 7.2537  2.5000    -0.48  0.10   0.03   0.00   
1 1 1 46 1  17 o 9.3834  0.4387 ?       ?         1.74   -0.64  -0.08  -0.08  
1 1 1 46 1  18 o 3.1680  1.4207 ?       ?         -0.56  -0.12  0.01   -0.02  
1 1 1 46 1  19 o 1.8849  0.8895 ?       ?         0.28   -0.36  0.01   -0.02  
1 1 1 46 1  20 o 0.0000  2.0344 ?       ?         0.37   -0.12  0.00   -0.01  
1 1 1 46 2  0  o 4.4497  0.3911 6.5885  180.000   -0.07  0.00   0.00   0.00   
1 1 1 46 2  1  o 4.9252  0.2623 5.2057  -34.6000  0.15   0.06   0.07   0.02   
1 1 1 46 2  2  o 10.476  0.1509 11.068  176.200   -0.15  0.56   -0.45  -0.09  
1 1 1 46 2  3  o 11.978  0.1966 12.585  138.500   -1.79  -1.31  0.24   -0.59  
1 1 1 46 2  4  o 6.0534  0.2474 5.2506  20.800    0.04   0.26   -0.07  -0.07  
1 1 1 46 2  5  o 4.2450  0.3296 2.3558  174.300   -0.51  0.24   0.24   0.23   
1 1 1 46 2  6  o 7.8726  0.1983 7.2773  125.000   -1.63  -1.04  0.24   -0.79  
1 1 1 46 2  7  o 11.230  0.2488 12.033  -68.3000  0.35   0.09   -0.01  -0.01  
1 1 1 46 2  8  o 6.6977  0.2495 5.7810  -6.8000   0.51   0.01   0.09   0.15   
1 1 1 46 2  9  o 10.417  0.1892 10.660  -150.3000 -0.75  0.29   0.27   0.05   
1 1 1 46 2  10 o 5.0173  0.3665 5.6748  -37.7000  0.19   -1.87  0.36   -0.44  
1 1 1 46 2  11 o 4.5170  0.5581 3.7872  -23.6000  0.93   0.01   -0.04  -0.03  
1 1 1 46 2  12 o 12.384  0.1946 11.392  -166.5000 -0.05  -0.92  -0.14  -0.03  
1 1 1 46 2  13 o 5.3930  0.5498 4.6642  -36.5000  0.99   0.57   0.02   -0.07  
1 1 1 46 2  14 f 3.5440  0.5463 5.6085  -11.3000  0.57   -0.06  -0.02  -0.03  
1 1 1 46 2  15 o 4.6215  0.4255 6.0986  -162.3000 0.14   0.06   0.00   -0.00  
1 1 1 46 2  16 o 3.2249  0.5591 3.4620  -173.0000 -0.26  0.03   0.01   -0.00  
1 1 1 46 2  17 o 2.5201  1.1751 ?       ?         0.92   -0.32  -0.00  0.09   
1 1 1 46 2  18 o 9.2601  0.2879 ?       ?         -0.96  -2.07  -0.07  0.18   
1 1 1 46 2  19 o 0.0000  1.9595 ?       ?         -0.10  0.00   0.00   0.00   
1 1 1 46 2  20 o 3.9778  1.3857 ?       ?         0.52   0.16   0.00   -0.00  
1 1 1 46 3  0  o 15.333  0.2186 12.433  0.0000    0.82   0.00   0.00   0.00   
1 1 1 46 3  1  o 11.427  0.1462 11.304  58.400    0.23   1.14   0.35   0.30   
1 1 1 46 3  2  o 7.2426  0.2548 7.0863  57.800    2.19   0.77   -0.62  -0.13  
1 1 1 46 3  3  f 14.032  0.4077 15.132  -120.9000 -6.22  -3.94  -1.26  -1.09  
1 1 1 46 3  4  o 15.451  0.3188 16.813  -173.7000 -3.82  -3.25  0.50   -1.12  
1 1 1 46 3  5  o 4.2697  0.5570 3.9841  1.6000    0.45   1.65   0.17   -0.04  
1 1 1 46 3  6  o 3.8065  0.3511 2.8162  -1.6000   -1.31  0.46   -0.26  0.06   
1 1 1 46 3  7  o 16.365  0.1390 18.097  81.000    0.53   1.66   -1.37  0.28   
1 1 1 46 3  8  o 8.4144  0.3262 8.8171  -87.4000  0.14   -0.73  0.02   0.04   
1 1 1 46 3  9  o 7.7334  0.2464 7.6527  78.800    -0.44  0.08   0.06   -0.09  
1 1 1 46 3  10 o 5.0240  0.3479 5.6914  72.000    -0.41  0.85   0.15   -0.03  
1 1 1 46 3  11 f 5.0095  0.3638 4.7829  -14.7000  0.33   0.56   0.07   0.01   
1 1 1 46 3  12 o 2.6958  0.6623 1.7094  -0.6000   0.42   0.32   0.04   -0.04  
1 1 1 46 3  13 o 6.8873  0.5355 4.6064  -66.9000  -0.31  -2.11  0.18   0.10   
1 1 1 46 3  14 o 5.7878  0.3502 3.8266  143.500   -0.95  -0.78  -0.19  0.05   
1 1 1 46 3  15 o 1.1393  0.8113 0.7797  -119.3000 -0.11  -0.22  -0.03  0.01   
1 1 1 46 3  16 o 9.5057  0.2521 9.5906  -103.3000 -0.78  -1.11  -0.09  0.18   
1 1 1 46 3  17 o 3.4847  0.5598 ?       ?         0.16   -0.01  0.00   0.00   
1 1 1 46 3  18 o 3.1695  0.8003 ?       ?         0.32   -0.09  0.01   0.01   
1 1 1 46 3  19 o 5.9282  0.5529 ?       ?         -1.30  0.60   -0.04  -0.05  
1 1 1 46 3  20 o 4.6702  2.2262 ?       ?         0.13   -0.80  0.00   0.02   
1 1 1 46 4  0  o 3.5496  0.4691 2.3731  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 46 4  1  o 3.3148  0.4996 4.2761  95.500    0.47   0.33   -0.00  -0.03  
1 1 1 46 4  2  o 5.0736  0.4308 6.4315  162.700   -2.97  0.39   -0.49  0.32   
1 1 1 46 4  3  o 3.9288  0.4236 2.6814  -28.2000  2.27   -0.76  -0.28  0.49   
1 1 1 46 4  4  o 3.1636  0.4179 1.1206  127.000   -0.07  0.19   0.02   -0.00  
1 1 1 46 4  5  o 14.815  0.2891 14.966  -57.6000  9.23   0.34   -3.82  -2.88  
1 1 1 46 4  6  o 2.9176  0.4029 1.4731  154.700   -0.74  0.18   -0.07  0.10   
1 1 1 46 4  7  o 7.3290  0.2543 9.9551  104.400   -0.08  1.01   0.09   0.09   
1 1 1 46 4  8  o 6.0620  0.4604 4.2461  -136.1000 -0.04  -2.75  0.43   0.24   
1 1 1 46 4  9  o 2.9495  0.6061 3.5360  153.900   -0.62  -0.37  0.01   -0.07  
1 1 1 46 4  10 f 8.3444  0.2314 5.6335  -76.4000  1.39   -0.21  0.17   0.45   
1 1 1 46 4  11 o 7.0239  0.4369 5.8426  111.400   0.32   1.73   0.08   -0.14  
1 1 1 46 4  12 o 2.9144  0.5393 2.1643  -25.8000  0.29   0.19   0.05   0.04   
1 1 1 46 4  13 o 9.2097  0.3787 8.9129  -158.8000 -0.79  -0.48  0.03   -0.04  
1 1 1 46 4  14 o 3.3790  0.5291 4.7866  -135.9000 0.03   -0.01  0.00   -0.00  
1 1 1 46 4  15 f 7.0509  0.3651 7.3437  -179.0000 -0.19  -0.66  0.02   0.02   
1 1 1 46 4  16 o 6.6562  0.3474 6.3228  90.500    -0.35  0.03   0.00   -0.01  
1 1 1 46 4  17 o 4.4148  0.4812 ?       ?         -0.40  0.14   0.01   -0.00  
1 1 1 46 4  18 o 3.5335  1.1859 ?       ?         -0.34  0.37   0.01   0.00   
1 1 1 46 4  19 o 4.1832  0.5227 ?       ?         -0.22  -0.23  0.00   0.00   
1 1 1 46 4  20 o 2.7123  0.9185 ?       ?         -0.15  0.03   0.00   -0.00  
1 1 1 46 5  0  o 9.4128  0.2281 9.3898  0.0000    -0.39  0.00   0.00   0.00   
1 1 1 46 5  1  o 8.9862  0.1730 10.189  50.500    0.17   0.78   -0.48  0.80   
1 1 1 46 5  2  o 2.6610  0.4342 2.6086  97.400    0.16   -0.10  0.01   0.02   
1 1 1 46 5  3  o 15.476  0.1958 16.690  83.200    -1.52  1.24   -0.39  0.19   
1 1 1 46 5  4  o 5.2741  0.4026 5.1512  -56.3000  0.25   -0.90  0.07   0.01   
1 1 1 46 5  5  f 3.1576  0.4112 3.0882  -163.5000 0.14   -0.16  0.01   0.01   
1 1 1 46 5  6  o 11.975  0.1467 12.099  -99.8000  -0.16  -0.99  -0.95  0.42   
1 1 1 46 5  7  o 3.7436  0.3510 4.0085  14.400    -0.22  -0.25  -0.03  -0.03  
1 1 1 46 5  8  o 7.8417  0.2349 6.9972  -28.4000  0.27   0.71   0.12   0.07   
1 1 1 46 5  9  o 6.8771  0.2580 6.7494  10.900    -0.10  0.14   0.01   -0.01  
1 1 1 46 5  10 o 7.8622  0.2405 5.3825  175.700   -1.11  0.59   0.62   -0.32  
1 1 1 46 5  11 o 5.0398  0.3603 5.1879  128.900   0.44   -0.13  0.08   -0.06  
1 1 1 46 5  12 f 7.9033  0.2621 6.0887  170.200   -0.76  -0.32  0.17   0.11   
1 1 1 46 5  13 o 3.6895  0.6628 4.5044  -168.9000 -0.93  1.08   0.16   0.08   
1 1 1 46 5  14 o 3.1451  0.5510 1.4748  121.700   -0.15  0.16   -0.01  -0.01  
1 1 1 46 5  15 o 4.5790  0.4776 5.2193  -5.3000   0.28   -0.38  0.02   -0.00  
1 1 1 46 5  16 o 5.1476  0.4173 ?       ?         0.42   -0.04  0.00   0.01   
1 1 1 46 5  17 f 0.3294  0.7480 ?       ?         0.35   0.06   0.04   -0.01  
1 1 1 46 5  18 o 0.0000  1.8033 ?       ?         0.12   -0.05  0.00   -0.00  
1 1 1 46 5  19 o 1.7434  0.7638 ?       ?         -0.66  0.17   0.04   -0.05  
1 1 1 46 5  20 o 4.0647  1.4253 ?       ?         0.28   0.40   0.00   0.00   
1 1 1 46 6  0  o 9.3220  0.2200 6.7357  -180.0000 -0.56  0.00   0.00   0.00   
1 1 1 46 6  1  o 2.8325  0.4026 2.1670  -157.5000 -0.25  -0.02  -0.02  -0.03  
1 1 1 46 6  2  o 5.9265  0.2849 3.8269  -67.8000  -1.73  -0.41  -0.37  0.01   
1 1 1 46 6  3  o 3.9352  0.3401 3.0102  3.4000    0.11   -0.16  0.03   -0.00  
1 1 1 46 6  4  o 16.231  0.4038 18.502  -133.3000 -4.85  -1.63  -0.80  -0.13  
1 1 1 46 6  5  o 2.9174  0.4723 1.8681  -21.7000  0.40   0.21   -0.01  -0.03  
1 1 1 46 6  6  o 7.2574  0.2116 8.8030  -48.4000  1.29   1.47   0.98   -0.65  
1 1 1 46 6  7  o 9.9096  0.5145 9.5396  113.900   -3.08  2.55   -0.17  0.32   
1 1 1 46 6  8  o 5.8666  0.3048 5.6990  -22.5000  -0.02  -0.88  0.07   -0.08  
1 1 1 46 6  9  o 2.5966  0.5643 1.2834  106.300   -0.08  0.24   0.00   0.02   
1 1 1 46 6  10 o 6.0101  0.3102 5.0075  -167.1000 -1.03  -1.18  0.43   -0.10  
1 1 1 46 6  11 o 14.510  0.1753 14.744  -167.8000 -2.16  -0.94  0.81   -0.23  
1 1 1 46 6  12 o 2.5942  0.5616 2.9620  138.000   -0.03  0.24   -0.00  -0.03  
1 1 1 46 6  13 o 8.9039  0.3324 7.4482  68.500    0.44   -0.34  0.02   0.01   
1 1 1 46 6  14 o 5.2237  0.3842 5.4262  59.400    0.13   0.94   -0.06  -0.11  
1 1 1 46 6  15 o 2.6132  1.1878 2.7783  -150.1000 0.39   -0.59  -0.01  0.04   
1 1 1 46 6  16 f 4.8048  0.4200 ?       ?         0.19   0.05   0.00   -0.00  
1 1 1 46 6  17 o 0.0000  1.8506 ?       ?         -0.17  0.15   0.01   -0.02  
1 1 1 46 6  18 o 4.7911  0.5146 ?       ?         0.29   1.76   0.01   0.13   
1 1 1 46 6  19 o 4.3797  0.5103 ?       ?         0.13   -0.02  0.00   0.00   
1 1 1 46 6  20 o 3.7792  0.6491 ?       ?         -0.23  0.09   0.00   -0.00  
1 1 1 46 7  0  o 1.6733  0.7345 3.9777  -0.0000   0.01   0.00   0.00   0.00   
1 1 1 46 7  1  o 8.0956  0.2259 7.6080  161.200   -0.35  1.19   0.19   0.00   
1 1 1 46 7  2  o 3.4332  0.3486 0.9537  -93.7000  1.00   -0.05  -0.20  -0.10  
1 1 1 46 7  3  o 10.073  0.4189 11.152  130.900   1.27   7.14   1.38   -1.15  
1 1 1 46 7  4  o 10.093  0.1731 10.196  -33.7000  0.36   -0.25  0.13   -0.16  
1 1 1 46 7  5  o 8.3827  0.3052 8.0276  -171.8000 -3.65  -2.31  0.01   -1.38  
1 1 1 46 7  6  o 16.059  0.1522 14.824  -20.3000  2.66   -0.94  -1.01  -1.81  
1 1 1 46 7  7  o 8.5869  0.1795 9.1982  -10.1000  0.47   0.04   0.08   -0.16  
1 1 1 46 7  8  o 16.380  0.1537 16.104  29.200    -0.61  0.37   0.10   -0.02  
1 1 1 46 7  9  o 11.954  0.1729 12.262  -70.7000  -0.32  -0.51  -0.05  -0.03  
1 1 1 46 7  10 o 11.225  0.1943 9.8439  149.900   -0.84  0.73   0.24   -0.26  
1 1 1 46 7  11 f 4.7861  0.3788 3.3568  -0.7000   0.39   0.10   0.06   -0.02  
1 1 1 46 7  12 o 6.7533  0.2860 6.2920  144.300   -0.39  -0.45  0.01   0.11   
1 1 1 46 7  13 o 5.4249  0.6587 5.3377  -21.6000  2.94   -0.19  -0.30  -0.25  
1 1 1 46 7  14 o 8.5951  0.2578 7.4707  71.600    -0.23  1.28   -0.26  0.05   
1 1 1 46 7  15 o 3.2233  0.5954 3.6132  115.500   -0.19  -0.16  0.01   -0.00  
1 1 1 46 7  16 o 6.8252  0.3158 ?       ?         0.96   -0.17  0.08   0.01   
1 1 1 46 7  17 o 3.4193  0.8004 ?       ?         0.16   0.22   -0.00  -0.00  
1 1 1 46 7  18 o 2.8203  0.6369 ?       ?         0.10   0.04   0.00   -0.00  
1 1 1 46 7  19 o 4.4176  0.5324 ?       ?         0.55   0.48   -0.01  0.01   
1 1 1 46 7  20 o 5.1581  0.6750 ?       ?         -0.20  -0.45  -0.00  -0.00  
1 1 1 46 8  0  o 1.5166  0.7345 1.8597  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 46 8  1  o 6.2734  0.2190 8.8391  -175.8000 -0.47  0.83   0.32   0.05   
1 1 1 46 8  2  o 9.8435  0.1689 10.109  -1.6000   2.47   0.97   0.62   -2.12  
1 1 1 46 8  3  o 14.544  0.1405 14.571  -118.7000 -1.12  -1.17  -1.12  0.47   
1 1 1 46 8  4  o 16.496  0.1839 13.924  123.500   0.85   0.35   -0.09  0.02   
1 1 1 46 8  5  o 10.205  0.3025 11.472  -123.2000 -3.11  0.76   -0.63  0.01   
1 1 1 46 8  6  o 9.7755  0.1774 10.944  -140.3000 -1.20  0.07   -0.19  -0.50  
1 1 1 46 8  7  o 4.3337  0.3259 4.0618  -140.6000 -0.02  0.24   0.02   -0.03  
1 1 1 46 8  8  o 5.1302  0.3187 4.7753  -34.1000  -0.42  -0.57  0.16   -0.01  
1 1 1 46 8  9  o 5.2503  0.3251 6.1934  -52.3000  0.39   0.08   0.03   -0.06  
1 1 1 46 8  10 o 4.9576  0.3483 2.9957  -1.0000   -0.26  1.40   0.28   -0.35  
1 1 1 46 8  11 o 17.086  0.1756 18.292  -4.3000   0.79   0.40   0.07   -0.03  
1 1 1 46 8  12 o 1.1829  0.8518 1.9873  -22.5000  0.04   -0.04  0.00   -0.00  
1 1 1 46 8  13 o 4.0248  0.4401 5.3980  -83.3000  -0.02  0.06   0.00   -0.00  
1 1 1 46 8  14 o 6.4801  0.6025 7.0185  -83.2000  0.54   -1.32  -0.01  0.08   
1 1 1 46 8  15 o 4.6187  0.7044 4.4774  -28.8000  0.68   -0.22  0.00   0.02   
1 1 1 46 8  16 o 5.8140  0.7477 ?       ?         -0.82  0.56   -0.03  0.00   
1 1 1 46 8  17 o 5.7154  0.3784 ?       ?         -0.93  -0.19  0.04   -0.02  
1 1 1 46 8  18 o 3.0578  0.6246 ?       ?         0.44   -0.24  -0.00  -0.02  
1 1 1 46 8  19 o 2.2897  0.8624 ?       ?         -0.53  -0.17  0.01   0.01   
1 1 1 46 8  20 o 5.4640  1.0618 ?       ?         0.34   -0.36  -0.00  0.00   
1 1 1 46 9  0  o 6.3325  0.3155 2.7865  180.000   0.33   0.00   0.00   0.00   
1 1 1 46 9  1  o 7.6952  0.1939 8.3217  -57.1000  0.98   -0.94  -0.39  0.31   
1 1 1 46 9  2  f 12.149  0.1758 10.937  107.500   -0.14  1.63   0.31   -0.25  
1 1 1 46 9  3  o 7.5421  0.3069 7.6773  -46.0000  2.23   -1.08  -0.10  0.50   
1 1 1 46 9  4  o 10.467  0.1824 10.429  176.400   -1.23  0.56   0.01   0.28   
1 1 1 46 9  5  o 7.0173  0.2872 6.7244  -160.7000 -0.31  -0.10  -0.01  -0.00  
1 1 1 46 9  6  o 8.8693  0.2012 7.2385  -140.2000 0.08   0.11   0.01   0.02   
1 1 1 46 9  7  o 11.931  0.2525 11.954  -106.3000 -1.79  -0.82  -0.36  0.05   
1 1 1 46 9  8  o 6.4289  0.2789 6.4842  138.200   -0.35  -0.11  0.04   0.09   
1 1 1 46 9  9  o 2.6414  0.5082 2.5566  90.000    0.33   -0.10  0.05   0.06   
1 1 1 46 9  10 o 10.493  0.2073 9.7118  -179.5000 -0.02  -0.61  -0.12  0.02   
1 1 1 46 9  11 o 9.4306  0.4786 10.673  -160.1000 -2.47  -2.35  0.31   -0.32  
1 1 1 46 9  12 o 2.7240  0.5520 2.3040  -107.3000 0.22   -0.14  0.03   -0.01  
1 1 1 46 9  13 o 7.9888  0.6585 7.7978  69.600    -1.15  2.97   0.03   0.26   
1 1 1 46 9  14 o 5.1063  0.3968 5.3398  11.800    0.52   0.45   -0.03  0.08   
1 1 1 46 9  15 f 3.5028  0.5256 5.5606  123.300   -0.24  0.21   -0.01  -0.01  
1 1 1 46 9  16 f 7.6658  0.3014 ?       ?         -0.94  -1.01  0.05   0.12   
1 1 1 46 9  17 o 3.0066  0.6354 ?       ?         -0.41  -0.15  0.02   -0.00  
1 1 1 46 9  18 o 2.9349  0.5984 ?       ?         -0.47  0.44   -0.00  -0.03  
1 1 1 46 9  19 o 2.8921  0.8368 ?       ?         0.08   -0.55  -0.01  0.00   
1 1 1 46 9  20 o 5.6080  0.5923 ?       ?         0.30   -0.98  -0.00  -0.01  
1 1 1 46 10 0  o 10.574  0.2086 10.860  180.000   -0.21  0.00   0.00   0.00   
1 1 1 46 10 1  o 9.8634  0.1668 8.5211  96.600    0.57   0.48   -0.36  0.18   
1 1 1 46 10 2  o 2.7796  0.4135 4.5000  77.300    -0.06  0.26   -0.13  0.08   
1 1 1 46 10 3  o 3.9143  0.3437 1.7403  -22.1000  0.68   -0.80  -0.06  0.16   
1 1 1 46 10 4  o 11.786  0.1594 11.728  -174.0000 -0.26  0.58   0.08   -0.29  
1 1 1 46 10 5  o 1.7940  0.6072 1.8120  44.400    0.10   0.12   -0.04  -0.01  
1 1 1 46 10 6  o 13.872  0.1583 13.363  52.400    0.21   2.67   -0.26  -1.91  
1 1 1 46 10 7  o 6.7336  0.2356 6.6659  131.900   -0.30  0.03   0.07   -0.02  
1 1 1 46 10 8  o 4.8066  0.4035 5.0087  39.900    0.09   -0.30  0.00   0.01   
1 1 1 46 10 9  o 6.2165  0.2778 7.8615  107.000   -0.24  0.64   0.09   -0.08  
1 1 1 46 10 10 o 9.0085  0.3198 8.6304  -29.2000  2.34   1.96   0.42   -0.47  
1 1 1 46 10 11 o 2.5479  0.7805 2.8608  15.000    0.21   0.56   0.06   0.01   
1 1 1 46 10 12 o 4.2861  0.4145 4.9509  -49.7000  -0.73  -0.27  -0.06  0.04   
1 1 1 46 10 13 o 6.6848  0.3262 7.0311  51.000    0.97   0.57   0.09   -0.07  
1 1 1 46 10 14 f 5.3912  0.5097 6.8632  -68.2000  1.61   -0.03  -0.07  -0.14  
1 1 1 46 10 15 o 6.1200  0.3545 5.8431  40.900    -0.31  0.68   -0.06  -0.04  
1 1 1 46 10 16 o 4.8481  0.4512 ?       ?         -0.00  1.05   -0.05  -0.06  
1 1 1 46 10 17 o 3.4083  0.7023 ?       ?         0.00   -0.29  -0.00  -0.00  
1 1 1 46 10 18 o 2.9082  0.7946 ?       ?         -0.20  -0.29  0.00   0.01   
1 1 1 46 10 19 o 4.5425  0.6410 ?       ?         -0.06  0.28   -0.00  -0.00  
1 1 1 46 10 20 o 1.2298  1.1400 ?       ?         0.46   -0.07  0.01   -0.01  
1 1 1 46 11 0  o 10.900  0.2115 9.8590  180.000   -0.15  0.00   0.00   0.00   
1 1 1 46 11 1  o 10.782  0.1680 9.5937  -75.7000  1.67   0.51   -0.06  -0.53  
1 1 1 46 11 2  o 15.804  0.2495 15.579  -173.4000 -1.00  -3.29  0.80   0.07   
1 1 1 46 11 3  o 8.2282  0.2224 11.466  59.000    0.17   -2.15  0.55   -0.26  
1 1 1 46 11 4  o 9.8861  0.1664 10.342  -51.5000  -0.08  0.15   0.01   -0.01  
1 1 1 46 11 5  o 14.397  0.1503 13.658  146.300   0.04   0.62   -0.06  -0.12  
1 1 1 46 11 6  o 3.5139  0.6673 3.8141  -103.6000 -1.75  0.42   -0.21  0.03   
1 1 1 46 11 7  o 5.4615  0.2608 5.7584  36.600    -0.40  0.58   -0.20  0.10   
1 1 1 46 11 8  o 9.9530  0.1805 9.6566  65.700    0.36   -0.92  -0.43  -0.06  
1 1 1 46 11 9  o 2.8380  0.7039 2.2275  14.600    -0.22  0.23   -0.01  0.01   
1 1 1 46 11 10 o 14.687  0.2086 15.854  -5.5000   3.03   0.84   0.70   -0.64  
1 1 1 46 11 11 o 4.2325  0.4091 3.0903  -163.9000 -0.44  0.02   0.03   -0.05  
1 1 1 46 11 12 o 6.1504  0.3923 7.0982  15.900    0.47   2.23   0.33   0.22   
1 1 1 46 11 13 o 1.8192  0.8740 2.5180  -145.7000 -0.19  -0.05  0.01   -0.01  
1 1 1 46 11 14 o 2.2565  0.6746 2.0174  -40.9000  -0.22  -0.29  -0.03  0.00   
1 1 1 46 11 15 f 3.4235  0.5211 2.6867  -4.4000   -0.20  -0.58  -0.06  -0.01  
1 1 1 46 11 16 o 2.2115  0.7646 ?       ?         -0.17  -0.10  -0.00  0.00   
1 1 1 46 11 17 o 3.5081  0.9825 ?       ?         -0.19  1.04   0.02   -0.06  
1 1 1 46 11 18 o 3.1508  1.3995 ?       ?         -0.47  0.12   0.01   0.01   
1 1 1 46 11 19 o 1.6842  1.0583 ?       ?         -0.02  -0.08  -0.00  0.00   
1 1 1 46 11 20 o 6.5635  0.5348 ?       ?         -0.52  -1.36  -0.01  0.01   
1 1 1 46 12 0  o 3.3912  0.5078 7.3357  -0.0000   0.17   0.00   0.00   0.00   
1 1 1 46 12 1  o 4.9086  0.2601 2.9076  -69.6000  0.05   0.29   0.01   0.13   
1 1 1 46 12 2  o 16.928  0.2052 17.121  158.100   -3.07  -2.25  0.84   -1.15  
1 1 1 46 12 3  o 0.8986  0.6743 2.4417  -53.3000  -0.23  0.23   -0.19  0.08   
1 1 1 46 12 4  o 6.6106  0.2209 8.5024  -146.7000 -0.33  0.08   0.16   -0.05  
1 1 1 46 12 5  o 7.7165  0.2871 6.7729  -27.5000  2.06   0.97   -0.07  -0.44  
1 1 1 46 12 6  o 5.7864  0.2822 4.7968  -21.4000  0.15   -0.40  0.05   -0.09  
1 1 1 46 12 7  f 5.0528  0.2951 6.1210  145.800   -0.70  0.93   0.35   0.08   
1 1 1 46 12 8  o 5.2538  0.5846 4.2794  176.100   -0.71  -1.23  0.06   -0.05  
1 1 1 46 12 9  o 4.0571  0.4049 2.4169  -35.7000  -0.88  -0.62  0.14   -0.15  
1 1 1 46 12 10 o 7.6253  0.2517 7.8335  104.400   0.68   0.83   0.21   0.35   
1 1 1 46 12 11 o 6.2528  0.2990 7.1619  -112.9000 0.57   -0.47  -0.11  -0.07  
1 1 1 46 12 12 o 7.3525  0.2697 6.0542  -62.1000  1.15   -0.57  0.30   -0.02  
1 1 1 46 12 13 o 2.4138  0.6447 3.8920  -55.2000  0.08   -0.27  -0.02  -0.02  
1 1 1 46 12 14 o 4.7646  0.3999 6.1667  136.900   0.46   -0.60  0.02   -0.08  
1 1 1 46 12 15 o 0.7291  0.8878 0.9331  9.4000    0.02   -0.08  -0.00  -0.00  
1 1 1 46 12 16 o 1.7784  0.8012 ?       ?         -0.01  -0.18  -0.01  -0.00  
1 1 1 46 12 17 o 4.4197  0.5409 ?       ?         0.63   -0.27  0.02   -0.00  
1 1 1 46 12 18 f 1.5544  1.0458 ?       ?         -0.25  -0.44  0.01   0.02   
1 1 1 46 12 19 o 4.5453  0.6833 ?       ?         -0.31  0.49   -0.00  -0.00  
1 1 1 46 12 20 o 4.4242  0.9355 ?       ?         -0.55  -0.25  0.00   -0.00  
1 1 1 46 13 0  o 14.374  0.1956 15.508  -180.0000 -0.80  0.00   0.00   0.00   
1 1 1 46 13 1  o 3.6631  0.4466 3.1957  121.800   -1.01  0.61   -0.09  0.08   
1 1 1 46 13 2  o 0.5899  0.6739 0.1446  124.500   0.02   0.10   0.00   0.05   
1 1 1 46 13 3  o 17.021  0.1429 17.615  101.700   -0.23  0.13   -0.01  -0.00  
1 1 1 46 13 4  o 2.8767  0.4676 2.8822  -57.1000  0.84   -0.59  0.03   0.17   
1 1 1 46 13 5  o 5.0253  0.6196 3.6942  -73.6000  2.11   2.72   0.24   -0.39  
1 1 1 46 13 6  o 0.0000  1.4747 ?       ?         -0.20  0.16   -0.17  -0.15  
1 1 1 46 13 7  o 5.1217  0.2557 7.1711  -88.3000  -0.07  0.03   0.00   0.00   
1 1 1 46 13 8  o 8.8970  0.1936 8.9668  -131.0000 0.18   0.13   0.02   0.01   
1 1 1 46 13 9  o 9.1124  0.5040 9.0191  153.400   -0.49  -2.45  0.19   0.03   
1 1 1 46 13 10 o 6.2631  0.4466 5.8833  -163.3000 -0.21  0.25   -0.00  0.01   
1 1 1 46 13 11 o 4.0467  0.4215 4.3194  -75.7000  0.45   -0.43  -0.07  -0.00  
1 1 1 46 13 12 o 10.518  0.4577 9.1675  -114.2000 -2.51  -1.71  0.16   -0.26  
1 1 1 46 13 13 o 10.471  0.4055 9.8055  -174.7000 -2.72  -2.35  0.49   -0.26  
1 1 1 46 13 14 o 3.8243  0.6294 4.0382  -8.1000   0.52   -0.48  -0.03  0.01   
1 1 1 46 13 15 o 3.9403  0.5116 ?       ?         -0.01  -0.07  -0.00  0.00   
1 1 1 46 13 16 o 6.0958  0.8184 ?       ?         -0.76  0.36   0.01   0.01   
1 1 1 46 13 17 o 2.5003  0.7678 ?       ?         -0.03  0.02   0.00   0.00   
1 1 1 46 13 18 o 7.4376  0.4257 ?       ?         -0.45  -2.08  -0.09  -0.02  
1 1 1 46 13 19 o 4.0445  1.5282 ?       ?         -0.91  -0.20  0.01   -0.01  
1 1 1 46 13 20 o 1.8651  1.1673 ?       ?         0.63   -0.18  0.00   -0.00  
1 1 1 46 14 0  o 11.679  0.2102 14.241  -180.0000 0.03   0.00   0.00   0.00   
1 1 1 46 14 1  o 4.2053  0.3006 4.9476  143.200   0.13   0.16   -0.07  0.01   
1 1 1 46 14 2  o 2.2314  0.6514 2.4380  30.400    -0.21  0.57   0.07   0.02   
1 1 1 46 14 3  o 3.7927  0.3490 5.5355  168.100   -0.46  0.35   -0.05  0.04   
1 1 1 46 14 4  o 5.3728  0.8200 6.1103  146.900   -1.58  2.32   0.09   0.13   
1 1 1 46 14 5  o 5.0857  0.4142 3.8775  -57.9000  1.60   -0.29  -0.21  -0.04  
1 1 1 46 14 6  o 9.3650  0.3127 9.1612  93.900    1.42   3.38   0.98   -0.08  
1 1 1 46 14 7  o 11.698  0.1507 11.285  -55.0000  1.43   -0.44  0.33   0.39   
1 1 1 46 14 8  o 10.480  0.3555 10.511  -23.2000  1.05   2.05   0.23   -0.06  
1 1 1 46 14 9  o 3.1316  0.6770 2.2545  -48.7000  -0.37  -0.86  0.01   -0.09  
1 1 1 46 14 10 o 6.8855  0.2722 6.4250  0.2000    0.44   -0.69  -0.06  0.05   
1 1 1 46 14 11 o 2.0370  0.6122 2.4901  178.800   -0.08  0.10   -0.00  -0.01  
1 1 1 46 14 12 f 2.6769  0.5989 1.4533  -110.7000 -0.23  0.36   -0.05  -0.00  
1 1 1 46 14 13 f 9.7448  0.2273 11.729  142.500   -0.37  1.68   -0.24  -0.23  
1 1 1 46 14 14 o 5.2508  0.3913 5.5322  79.800    -0.16  1.34   -0.06  -0.18  
1 1 1 46 14 15 o 2.7950  1.2580 ?       ?         0.25   -0.48  -0.01  0.02   
1 1 1 46 14 16 o 2.7416  1.2653 ?       ?         -0.02  -0.48  -0.00  0.02   
1 1 1 46 14 17 o 3.3751  0.7041 ?       ?         -0.17  0.62   -0.01  -0.02  
1 1 1 46 14 18 o 2.3017  0.8901 ?       ?         0.02   -0.18  -0.00  -0.00  
1 1 1 46 14 19 o 7.6311  0.4734 ?       ?         -0.40  -1.34  -0.02  0.00   
1 1 1 46 15 0  o 3.5214  0.4609 1.4834  180.000   0.06   0.00   0.00   0.00   
1 1 1 46 15 1  o 2.1096  0.4636 2.9380  -151.0000 -0.02  0.04   -0.00  -0.00  
1 1 1 46 15 2  o 7.9838  0.1809 7.0779  -82.4000  1.08   -1.06  -1.12  0.22   
1 1 1 46 15 3  o 7.0395  0.2932 8.9074  177.200   -0.96  4.45   1.71   -0.10  
1 1 1 46 15 4  o 7.4203  0.2004 6.8505  158.700   -1.24  0.73   -0.45  -0.01  
1 1 1 46 15 5  o 3.3811  0.3538 4.8578  15.700    -0.29  0.05   -0.03  -0.03  
1 1 1 46 15 6  o 3.6952  0.3707 2.9414  -59.2000  0.42   -0.13  -0.04  -0.02  
1 1 1 46 15 7  o 3.3636  0.3605 3.1098  10.800    0.53   0.24   0.30   -0.03  
1 1 1 46 15 8  o 1.9194  0.5510 0.7389  171.500   0.07   -0.03  0.01   -0.00  
1 1 1 46 15 9  o 3.4023  0.4659 2.8133  -112.5000 -0.15  0.12   -0.01  0.00   
1 1 1 46 15 10 o 2.1270  0.5902 1.3825  -166.1000 -0.36  0.02   0.09   -0.03  
1 1 1 46 15 11 o 8.5768  0.2649 9.4074  6.2000    1.40   -1.84  0.46   0.00   
1 1 1 46 15 12 o 5.5613  0.3302 6.0455  96.600    -0.33  -0.07  0.02   -0.01  
1 1 1 46 15 13 o 3.3451  0.5215 3.4222  -87.6000  -0.31  -0.26  -0.02  0.02   
1 1 1 46 15 14 o 2.8579  0.6301 3.8235  80.400    -0.41  0.22   -0.01  -0.03  
1 1 1 46 15 15 o 2.4750  1.1480 ?       ?         -0.49  -0.51  0.05   -0.02  
1 1 1 46 15 16 o 4.5917  0.4983 ?       ?         0.68   0.45   0.02   0.01   
1 1 1 46 15 17 o 1.7122  0.9098 ?       ?         -0.07  0.11   -0.00  -0.00  
1 1 1 46 15 18 o 6.8050  0.4503 ?       ?         1.78   0.11   0.05   -0.03  
1 1 1 46 15 19 o 3.0573  0.8470 ?       ?         0.23   0.64   -0.01  0.00   
1 1 1 46 16 0  o 7.8038  0.2422 4.9221  -0.0000   -0.04  0.00   0.00   0.00   
1 1 1 46 16 1  o 5.8845  0.2321 4.9888  -156.4000 -0.25  0.58   0.17   -0.06  
1 1 1 46 16 2  o 6.5893  0.2169 6.2180  -9.8000   2.70   0.98   -0.21  -1.48  
1 1 1 46 16 3  o 8.0714  0.4358 8.4423  115.200   -0.84  1.58   0.11   0.06   
1 1 1 46 16 4  o 13.266  0.2738 11.828  -67.0000  2.49   -0.96  -0.49  -0.09  
1 1 1 46 16 5  o 2.9361  0.5531 4.3072  -80.5000  -0.57  -0.14  -0.04  -0.00  
1 1 1 46 16 6  o 5.9749  0.2547 6.3724  86.100    0.33   -0.76  -0.28  0.15   
1 1 1 46 16 7  o 5.4880  0.4397 4.4971  -24.4000  -0.04  1.33   0.08   0.06   
1 1 1 46 16 8  o 6.2208  0.2403 5.7145  -136.2000 -0.28  -0.10  0.04   -0.01  
1 1 1 46 16 9  o 8.9299  0.4460 7.5493  75.600    1.16   5.48   1.14   0.45   
1 1 1 46 16 10 o 7.3720  0.2501 6.7227  114.600   -1.07  -0.01  0.22   -0.16  
1 1 1 46 16 11 o 4.7029  0.3714 3.6400  12.300    0.11   1.06   0.00   -0.12  
1 1 1 46 16 12 o 7.5246  0.2594 7.8994  17.800    0.98   0.33   0.09   -0.08  
1 1 1 46 16 13 o 2.7864  0.5833 3.4627  129.900   -0.38  0.27   -0.03  -0.02  
1 1 1 46 16 14 o 5.3773  0.3824 5.6867  18.900    -0.00  -0.10  -0.00  -0.00  
1 1 1 46 16 15 o 5.6195  0.4040 ?       ?         -0.10  -0.17  0.00   0.00   
1 1 1 46 16 16 f 1.8634  0.9202 ?       ?         0.11   0.35   -0.01  -0.01  
1 1 1 46 16 17 o 0.0000  2.0442 ?       ?         -0.38  0.03   0.01   -0.01  
1 1 1 46 16 18 o 8.2214  0.4416 ?       ?         1.49   -1.14  0.03   -0.04  
1 1 1 46 16 19 o 3.8396  0.8647 ?       ?         -0.13  -0.33  -0.00  0.00   
1 1 1 46 17 0  o 12.657  0.1945 10.483  -0.0000   0.74   0.00   0.00   0.00   
1 1 1 46 17 1  f 10.174  0.3437 8.4553  167.800   -2.39  -3.53  0.59   -0.54  
1 1 1 46 17 2  o 9.8475  0.3175 10.590  -95.2000  2.31   -1.55  -0.41  0.23   
1 1 1 46 17 3  o 4.8842  0.2962 6.5847  142.500   0.52   0.97   -0.01  -0.15  
1 1 1 46 17 4  f 7.6645  0.2822 7.1581  7.2000    0.95   -1.29  -0.11  0.23   
1 1 1 46 17 5  o 1.9556  0.5229 1.4612  -141.2000 0.04   0.27   0.01   -0.04  
1 1 1 46 17 6  o 7.5925  0.2130 8.1275  -103.3000 -0.46  -0.86  -0.45  0.04   
1 1 1 46 17 7  o 6.4029  0.2250 6.1882  -34.3000  -0.30  -0.41  -0.11  -0.00  
1 1 1 46 17 8  o 6.8924  0.2308 6.1939  -133.6000 -0.32  0.19   0.04   -0.00  
1 1 1 46 17 9  o 5.9120  0.2929 7.1115  -86.4000  -0.47  -0.42  -0.01  0.14   
1 1 1 46 17 10 o 6.5731  0.3146 7.3340  -14.3000  -0.02  -0.59  0.02   0.03   
1 1 1 46 17 11 o 2.2756  0.6035 2.1711  -143.4000 -0.04  -0.03  -0.00  0.00   
1 1 1 46 17 12 o 7.9931  0.2562 8.2368  -5.8000   0.04   -0.15  -0.00  -0.00  
1 1 1 46 17 13 o 4.9712  0.3880 5.1522  -83.6000  0.46   0.06   0.02   0.02   
1 1 1 46 17 14 o 3.2654  0.5464 4.3773  26.600    0.20   0.53   -0.01  0.04   
1 1 1 46 17 15 o 3.1928  0.6142 ?       ?         0.16   0.02   0.00   0.00   
1 1 1 46 17 16 o 6.8694  0.3754 ?       ?         -0.05  0.48   -0.01  0.00   
1 1 1 46 17 17 o 1.4338  0.9777 ?       ?         0.38   -0.15  0.01   -0.01  
1 1 1 46 17 18 f 1.5135  1.0812 ?       ?         0.31   0.97   -0.06  0.02   
1 1 1 46 17 19 o 2.4406  1.2098 ?       ?         0.33   0.02   0.00   0.00   
1 1 1 46 18 0  o 1.5492  0.7288 1.3525  -0.0000   -0.05  0.00   0.00   0.00   
1 1 1 46 18 1  o 10.234  0.1477 10.552  11.100    0.83   -0.57  0.23   0.12   
1 1 1 46 18 2  o 4.8839  0.2579 4.9545  0.3000    0.62   0.03   0.46   0.10   
1 1 1 46 18 3  o 9.7571  0.4861 9.3322  -161.0000 -2.46  -1.83  -0.17  -0.19  
1 1 1 46 18 4  o 7.2084  0.1994 8.0288  7.5000    1.24   -1.12  0.34   0.28   
1 1 1 46 18 5  o 3.5926  0.3617 3.7272  -168.0000 -0.30  0.15   0.09   -0.02  
1 1 1 46 18 6  o 4.7072  0.3922 6.2482  105.300   -1.94  -1.00  0.02   -0.40  
1 1 1 46 18 7  o 10.663  0.1755 9.8216  137.700   -0.20  0.71   0.04   -0.05  
1 1 1 46 18 8  o 4.2208  0.3304 5.2439  3.7000    -0.00  0.02   0.00   0.00   
1 1 1 46 18 9  o 6.5384  0.2578 7.2553  -63.3000  -0.50  0.92   -0.16  -0.34  
1 1 1 46 18 10 o 5.4046  0.3265 7.0920  -57.9000  -1.11  0.24   0.04   0.16   
1 1 1 46 18 11 o 2.4144  0.5600 0.9535  52.900    -0.24  0.13   0.03   -0.01  
1 1 1 46 18 12 o 5.9799  0.3190 5.4827  104.400   -0.37  -1.08  0.04   0.14   
1 1 1 46 18 13 o 7.5610  0.2772 8.9714  -129.6000 -0.22  -2.43  -0.38  -0.39  
1 1 1 46 18 14 o 6.5240  0.4201 ?       ?         0.16   -2.11  -0.04  0.17   
1 1 1 46 18 15 o 5.9013  0.4070 ?       ?         -0.21  1.08   -0.07  -0.02  
1 1 1 46 18 16 o 2.0597  0.9597 ?       ?         0.25   0.39   -0.02  0.01   
1 1 1 46 18 17 o 1.4365  1.0886 ?       ?         0.02   -0.23  -0.00  0.00   
1 1 1 46 18 18 o 4.5673  0.7067 ?       ?         0.95   0.56   0.00   0.01   
1 1 1 46 18 19 o 3.2829  1.8503 ?       ?         0.09   0.07   0.00   0.00   
1 1 1 46 19 0  o 6.5574  0.2637 5.9788  0.0000    0.23   0.00   0.00   0.00   
1 1 1 46 19 1  o 8.8224  0.1525 7.8551  70.000    -0.37  0.07   0.09   -0.05  
1 1 1 46 19 2  o 4.9114  0.2449 3.8860  33.900    -0.22  1.54   0.32   -0.17  
1 1 1 46 19 3  o 9.7227  0.1986 11.376  -33.6000  -0.28  -3.92  0.75   -1.59  
1 1 1 46 19 4  o 2.4920  0.5424 3.3058  -96.2000  0.16   -0.51  0.02   0.04   
1 1 1 46 19 5  o 4.9610  0.2604 3.3659  -40.4000  -1.05  0.03   -0.11  -0.27  
1 1 1 46 19 6  o 9.7944  0.1922 10.777  8.8000    1.40   1.48   0.48   -0.16  
1 1 1 46 19 7  o 6.3789  0.2407 4.4821  104.700   -0.23  1.48   0.13   -0.59  
1 1 1 46 19 8  o 6.9061  0.2272 6.3007  166.000   0.27   0.37   -0.02  -0.02  
1 1 1 46 19 9  o 5.8001  0.3791 6.2040  40.900    0.52   1.78   0.22   0.09   
1 1 1 46 19 10 o 5.2536  0.3313 5.1417  28.600    0.01   -0.02  -0.00  0.00   
1 1 1 46 19 11 o 4.1758  0.3902 3.9717  129.700   -0.45  0.36   -0.04  -0.06  
1 1 1 46 19 12 o 2.8174  0.5401 2.3810  -66.8000  0.23   -0.04  0.01   0.01   
1 1 1 46 19 13 o 2.4522  0.6243 2.4731  -68.1000  0.09   -0.13  0.00   -0.00  
1 1 1 46 19 14 o 3.1773  0.6313 ?       ?         0.09   -0.02  0.00   0.00   
1 1 1 46 19 15 o 1.3716  0.9947 ?       ?         0.12   -0.24  -0.01  -0.00  
1 1 1 46 19 16 o 2.6148  0.7364 ?       ?         -0.37  0.40   -0.00  -0.01  
1 1 1 46 19 17 o 4.4273  0.6691 ?       ?         -0.06  0.47   -0.00  -0.00  
1 1 1 46 19 18 o 4.8905  0.7422 ?       ?         -0.81  0.57   0.00   -0.00  
1 1 1 46 19 19 o 2.1340  1.4946 ?       ?         0.13   -0.23  0.00   -0.00  
1 1 1 46 20 0  f 3.4641  0.5643 5.1014  0.0000    0.21   0.00   0.00   0.00   
1 1 1 46 20 1  o 8.4535  0.3222 8.5517  176.900   -0.01  -0.57  0.02   0.02   
1 1 1 46 20 2  o 5.8600  0.2246 5.4641  130.300   -0.41  0.01   0.08   0.07   
1 1 1 46 20 3  o 8.6430  0.2005 8.0347  12.300    0.55   0.42   0.03   -0.04  
1 1 1 46 20 4  f 4.4193  0.2676 3.9759  -177.4000 -0.14  0.27   -0.04  0.02   
1 1 1 46 20 5  o 5.0595  0.2550 6.3906  10.900    1.14   -0.96  0.23   0.24   
1 1 1 46 20 6  o 4.4124  0.3036 4.2722  79.600    1.51   -0.08  -0.15  0.31   
1 1 1 46 20 7  o 5.4845  0.2618 5.0798  -141.7000 -0.62  -0.03  0.05   -0.13  
1 1 1 46 20 8  o 0.5986  0.6748 0.2259  -125.2000 -0.10  -0.08  0.01   0.03   
1 1 1 46 20 9  f 1.5517  0.6194 2.1436  -176.5000 -0.24  0.49   0.10   -0.13  
1 1 1 46 20 10 o 3.9509  0.7859 2.8480  -66.3000  1.18   -0.04  -0.04  0.04   
1 1 1 46 20 11 o 3.0815  1.3743 3.3053  -3.2000   0.24   -0.24  -0.01  0.01   
1 1 1 46 20 12 f 0.0000  1.7052 ?       ?         -0.09  0.15   0.00   -0.01  
1 1 1 46 20 13 o 3.5306  0.4972 3.4629  -115.7000 0.23   -0.53  -0.02  -0.04  
1 1 1 46 20 14 o 2.8668  0.6068 ?       ?         0.41   -0.42  -0.02  -0.03  
1 1 1 46 20 15 f 5.7838  0.4529 ?       ?         0.68   0.96   -0.03  0.03   
1 1 1 46 20 16 o 3.2693  1.4425 ?       ?         -0.10  -0.34  -0.00  -0.00  
1 1 1 46 20 17 o 3.9100  0.9697 ?       ?         -0.03  -0.78  -0.01  -0.01  
1 1 1 46 20 18 o 3.0348  1.4112 ?       ?         -0.30  -0.17  0.00   0.00   
1 1 1 46 21 0  o 2.1213  0.7347 0.1415  -180.0000 -0.17  0.00   0.00   0.00   
1 1 1 46 21 1  o 5.8483  0.3069 6.0911  -3.8000   0.53   0.22   0.03   -0.05  
1 1 1 46 21 2  f 5.4715  0.2974 5.4011  105.800   -0.16  0.44   -0.11  -0.03  
1 1 1 46 21 3  o 15.471  0.5384 14.694  32.700    0.47   8.66   1.15   1.22   
1 1 1 46 21 4  o 10.493  0.1573 10.713  21.100    1.10   -0.41  0.16   -0.38  
1 1 1 46 21 5  o 3.8293  0.2980 3.1507  159.400   0.68   0.01   0.04   -0.22  
1 1 1 46 21 6  o 3.9165  0.3192 4.1603  96.400    -0.30  0.73   -0.27  0.12   
1 1 1 46 21 7  o 2.1333  0.5274 2.7163  -77.6000  -0.02  0.08   -0.00  0.00   
1 1 1 46 21 8  o 3.9165  0.6529 2.8726  82.600    0.62   1.89   0.18   -0.00  
1 1 1 46 21 9  o 5.9526  0.2516 6.4911  -148.5000 0.65   -0.25  0.04   0.05   
1 1 1 46 21 10 f 4.0205  0.3980 3.7560  -19.0000  0.39   0.22   0.02   -0.01  
1 1 1 46 21 11 o 2.5278  1.1334 3.4556  -106.1000 -0.22  -0.08  0.00   -0.01  
1 1 1 46 21 12 o 3.3820  0.5239 3.3350  -129.9000 -0.26  0.01   0.01   -0.00  
1 1 1 46 21 13 o 3.1596  0.6038 ?       ?         -0.66  -0.17  0.03   -0.02  
1 1 1 46 21 14 o 7.1705  0.3354 ?       ?         0.92   -0.91  0.01   -0.09  
1 1 1 46 21 15 o 4.8259  0.5549 ?       ?         0.49   0.34   0.01   0.01   
1 1 1 46 21 16 o 5.5753  0.5799 ?       ?         0.22   0.00   0.00   0.00   
1 1 1 46 21 17 o 0.8248  1.1520 ?       ?         -0.31  -0.01  0.00   -0.00  
1 1 1 46 21 18 o 0.0000  2.6748 ?       ?         -0.22  -0.55  -0.01  0.01   
1 1 1 46 22 0  o 9.1542  0.2807 7.9437  180.000   -0.12  0.00   0.00   0.00   
1 1 1 46 22 1  o 2.3027  0.5677 2.9816  118.900   -0.33  0.35   -0.10  0.01   
1 1 1 46 22 2  o 2.9885  0.4633 1.7375  -37.3000  -0.48  0.59   0.17   -0.04  
1 1 1 46 22 3  o 3.7068  0.4144 4.5479  83.000    -0.08  -0.12  -0.01  -0.00  
1 1 1 46 22 4  f 4.7531  0.2776 5.6951  -110.8000 -0.31  -0.25  0.05   -0.00  
1 1 1 46 22 5  o 2.7592  0.4210 4.3850  -16.7000  0.06   -0.12  0.00   -0.01  
1 1 1 46 22 6  o 5.0294  0.3027 4.7324  9.1000    1.03   -1.94  0.50   0.01   
1 1 1 46 22 7  o 6.8590  0.2128 7.4307  80.100    0.25   -0.00  0.02   0.00   
1 1 1 46 22 8  o 2.6885  0.4440 2.3587  -159.7000 0.21   0.01   0.02   0.01   
1 1 1 46 22 9  o 6.5124  0.3497 8.0496  -62.3000  2.97   -2.85  -0.91  0.53   
1 1 1 46 22 10 o 5.0289  0.3286 4.9036  -152.3000 0.71   0.06   0.06   -0.06  
1 1 1 46 22 11 o 3.0579  0.5033 2.3473  -69.6000  0.01   -0.49  -0.02  0.03   
1 1 1 46 22 12 o 6.4299  0.3976 5.6315  72.700    -0.09  0.54   -0.00  0.01   
1 1 1 46 22 13 o 4.4290  0.4632 ?       ?         0.37   0.38   0.01   0.01   
1 1 1 46 22 14 o 7.8745  0.3731 ?       ?         0.65   0.66   -0.00  0.02   
1 1 1 46 22 15 o 2.0013  0.9516 ?       ?         -0.02  0.07   -0.00  -0.00  
1 1 1 46 22 16 f 4.8828  0.7153 ?       ?         0.13   -0.23  -0.00  -0.00  
1 1 1 46 22 17 o 2.5602  1.0547 ?       ?         -0.47  0.57   -0.00  -0.00  
1 1 1 46 22 18 o 0.0000  3.8859 ?       ?         -0.69  0.09   0.00   0.00   
1 1 1 46 23 0  o 5.9498  0.3637 2.5654  -180.0000 -0.16  0.00   0.00   0.00   
1 1 1 46 23 1  o 7.5962  0.2418 8.5208  30.000    0.53   -0.30  -0.02  -0.11  
1 1 1 46 23 2  o 5.5977  0.2769 6.3552  -135.1000 -0.21  -0.24  -0.03  0.00   
1 1 1 46 23 3  o 5.7194  0.2925 5.4565  79.200    -0.74  0.63   -0.06  -0.34  
1 1 1 46 23 4  o 3.3027  0.4360 4.9830  -108.3000 0.50   0.25   -0.05  0.02   
1 1 1 46 23 5  o 4.6460  0.2636 3.7277  141.000   -0.01  0.39   -0.04  0.04   
1 1 1 46 23 6  o 14.879  0.1806 14.654  81.500    -0.75  2.25   -0.42  0.07   
1 1 1 46 23 7  o 12.570  0.1469 14.211  -24.9000  2.43   0.35   0.83   -0.23  
1 1 1 46 23 8  o 3.4037  1.2782 2.5559  27.400    1.34   -0.33  -0.05  0.01   
1 1 1 46 23 9  o 1.5361  0.7862 1.7442  -12.0000  0.02   -0.10  0.00   0.00   
1 1 1 46 23 10 o 4.9979  0.3417 4.9930  -61.7000  0.17   0.14   -0.00  0.01   
1 1 1 46 23 11 o 0.0000  1.6406 ?       ?         0.62   -0.01  -0.05  -0.09  
1 1 1 46 23 12 o 3.2147  1.0024 3.1277  102.200   0.20   -0.04  -0.00  -0.00  
1 1 1 46 23 13 o 1.0694  0.9331 ?       ?         -0.12  -0.36  0.00   0.02   
1 1 1 46 23 14 o 1.9053  0.9482 ?       ?         -0.38  -0.21  0.01   0.01   
1 1 1 46 23 15 o 2.7051  1.2895 ?       ?         -0.51  -0.34  0.01   0.00   
1 1 1 46 23 16 o 4.7346  0.9092 ?       ?         -0.23  -0.26  -0.00  0.00   
1 1 1 46 23 17 o 6.8710  0.7264 ?       ?         -1.17  1.34   -0.00  0.00   
1 1 1 46 23 18 o 7.1796  1.8080 ?       ?         0.72   -2.64  0.06   -0.01  
1 1 1 46 24 0  o 2.1448  0.7431 1.2043  -0.0000   0.01   0.00   0.00   0.00   
1 1 1 46 24 1  o 8.5425  0.4616 7.5671  -11.9000  -1.10  0.62   -0.05  0.02   
1 1 1 46 24 2  o 3.4842  0.4030 2.5572  -101.2000 -0.03  -0.61  0.02   -0.04  
1 1 1 46 24 3  o 5.6653  0.2851 6.3719  72.900    -0.44  0.77   -0.17  0.06   
1 1 1 46 24 4  o 4.2720  0.3733 4.9058  -5.9000   -0.50  0.69   0.07   0.01   
1 1 1 46 24 5  o 5.8484  0.4325 6.7507  10.800    1.71   0.08   -0.09  -0.16  
1 1 1 46 24 6  o 9.3893  0.1739 10.427  -126.0000 -1.11  -1.44  0.13   0.64   
1 1 1 46 24 7  o 4.8853  0.2709 4.8884  54.700    0.25   0.66   -0.14  -0.00  
1 1 1 46 24 8  o 3.6402  0.3330 4.0212  127.700   -0.44  -0.12  0.08   -0.00  
1 1 1 46 24 9  f 4.5530  0.3203 3.8783  -19.8000  0.13   -1.12  0.03   -0.12  
1 1 1 46 24 10 o 3.8826  0.4575 4.5335  76.200    0.00   0.58   -0.01  0.03   
1 1 1 46 24 11 o 2.2139  0.6875 2.2768  -87.0000  0.16   -0.04  0.00   -0.00  
1 1 1 46 24 12 o 3.8813  0.5253 ?       ?         0.58   -0.61  0.02   -0.03  
1 1 1 46 24 13 o 8.4445  0.3632 ?       ?         -1.47  0.89   0.01   -0.08  
1 1 1 46 24 14 o 4.3408  0.6323 ?       ?         0.42   0.87   -0.01  0.02   
1 1 1 46 24 15 o 0.6255  1.1379 ?       ?         -0.30  -0.12  0.00   0.00   
1 1 1 46 24 16 o 4.6445  2.1648 ?       ?         -0.29  0.52   -0.00  0.00   
1 1 1 46 24 17 o 1.4926  1.5658 ?       ?         -0.57  0.37   0.00   -0.00  
1 1 1 46 25 0  o 4.2895  0.4701 2.6515  180.000   0.47   0.00   0.00   0.00   
1 1 1 46 25 1  o 6.2971  0.2428 5.4675  175.100   0.42   0.80   -0.20  0.00   
1 1 1 46 25 2  o 1.4536  0.7267 1.9029  -27.2000  0.38   0.23   0.06   -0.05  
1 1 1 46 25 3  o 5.3661  0.2902 4.3439  122.500   -0.88  0.33   -0.06  -0.18  
1 1 1 46 25 4  o 2.7340  0.5017 3.2657  76.900    -0.08  0.14   -0.01  -0.01  
1 1 1 46 25 5  o 3.0609  0.5074 2.6510  108.200   -0.38  -0.17  0.01   -0.02  
1 1 1 46 25 6  o 6.1103  0.2846 5.8845  -147.6000 -0.40  -0.75  0.06   0.09   
1 1 1 46 25 7  o 5.4557  0.2576 6.1158  -136.4000 0.53   -0.51  -0.02  -0.14  
1 1 1 46 25 8  o 7.5806  0.1988 9.0282  126.300   -1.25  2.00   0.50   -0.24  
1 1 1 46 25 9  o 11.754  0.1695 13.262  -171.5000 -1.87  -0.48  0.13   0.21   
1 1 1 46 25 10 o 3.6754  0.4671 4.0092  63.200    -0.48  -0.32  -0.02  0.01   
1 1 1 46 25 11 o 3.1715  0.6048 2.2762  -142.2000 -0.01  -0.23  -0.00  -0.00  
1 1 1 46 25 12 o 0.3104  0.7639 ?       ?         0.59   -0.08  0.05   0.03   
1 1 1 46 25 13 o 6.2310  0.4388 ?       ?         -0.34  0.55   -0.00  -0.01  
1 1 1 46 25 14 o 2.8615  1.0587 ?       ?         -0.06  0.16   -0.00  -0.00  
1 1 1 46 25 15 o 3.8918  1.1574 ?       ?         0.03   -0.09  -0.00  -0.00  
1 1 1 46 25 16 o 5.0693  0.9909 ?       ?         -0.59  -0.99  0.00   -0.00  
1 1 1 46 25 17 o 0.9487  1.6003 ?       ?         0.31   0.11   0.00   0.00   
1 1 1 46 26 0  o 4.3243  0.7818 4.0069  0.0000    0.18   0.00   0.00   0.00   
1 1 1 46 26 1  o 10.830  0.3721 10.937  -27.3000  1.14   -1.37  0.16   -0.01  
1 1 1 46 26 2  o 6.8453  0.3154 7.6914  77.000    0.64   2.87   0.51   0.27   
1 1 1 46 26 3  o 7.6703  0.3833 7.8747  20.400    1.52   0.92   0.05   -0.12  
1 1 1 46 26 4  o 1.6314  0.7941 0.3497  92.000    -0.07  -0.21  0.01   0.00   
1 1 1 46 26 5  o 4.3412  0.3671 4.5780  144.700   -0.19  0.29   -0.01  0.01   
1 1 1 46 26 6  o 5.6400  1.1159 5.0740  168.700   -0.97  -1.22  0.02   -0.03  
1 1 1 46 26 7  o 6.1510  0.2233 5.6502  93.500    -0.00  -0.17  -0.00  -0.00  
1 1 1 46 26 8  o 2.9381  0.4672 3.2415  -93.2000  0.38   0.13   0.03   -0.00  
1 1 1 46 26 9  o 6.2655  0.2487 6.9039  -5.1000   0.22   1.80   -0.13  0.26   
1 1 1 46 26 10 o 5.0821  0.4344 5.6290  -167.0000 -0.65  -0.62  0.03   0.04   
1 1 1 46 26 11 o 5.6613  0.3877 ?       ?         -1.02  0.92   -0.04  -0.08  
1 1 1 46 26 12 o 6.4887  0.4437 ?       ?         0.93   -0.80  -0.01  -0.04  
1 1 1 46 26 13 o 4.3799  1.9267 ?       ?         0.07   0.12   -0.00  -0.00  
1 1 1 46 26 14 o 6.3442  0.6020 ?       ?         -0.89  1.33   -0.00  -0.02  
1 1 1 46 26 15 f 1.2991  1.4229 ?       ?         -0.71  -0.09  0.00   0.00   
1 1 1 46 26 16 o 5.5408  1.1756 ?       ?         0.05   1.47   0.00   0.00   
1 1 1 46 26 17 o 3.3015  1.6518 ?       ?         0.12   -0.30  0.00   0.00   
1 1 1 46 27 0  o 0.0000  2.8461 1.9812  180.000   0.04   0.00   0.00   0.00   
1 1 1 46 27 1  o 6.6812  0.3871 6.0680  -167.0000 -0.55  0.60   0.03   -0.05  
1 1 1 46 27 2  o 2.4177  1.1316 1.0322  -141.7000 -0.30  -0.27  -0.02  -0.00  
1 1 1 46 27 3  o 3.8580  0.4110 0.9483  86.700    0.61   -1.00  -0.15  0.03   
1 1 1 46 27 4  o 3.1462  0.3570 1.8944  178.200   0.13   0.34   -0.04  0.02   
1 1 1 46 27 5  o 8.0191  0.5319 8.2650  163.400   -2.25  -2.11  0.17   -0.18  
1 1 1 46 27 6  o 2.8153  1.2870 0.6033  -92.8000  0.98   0.15   -0.04  -0.06  
1 1 1 46 27 7  o 8.7116  0.2584 9.7370  86.500    -2.42  0.07   0.17   -0.36  
1 1 1 46 27 8  f 3.2289  1.0279 2.6992  124.200   -0.15  -0.34  0.01   0.01   
1 1 1 46 27 9  o 2.7841  0.9693 3.6091  9.7000    0.11   -0.33  0.01   -0.01  
1 1 1 46 27 10 o 2.8462  0.6771 3.3079  -36.3000  0.26   -0.06  0.01   0.00   
1 1 1 46 27 11 o 5.8147  0.4372 ?       ?         -0.47  0.21   0.00   -0.01  
1 1 1 46 27 12 o 4.8863  0.6018 ?       ?         0.35   0.11   0.00   0.00   
1 1 1 46 27 13 o 3.1425  0.9810 ?       ?         0.43   -0.34  0.00   -0.01  
1 1 1 46 27 14 o 2.0248  1.4462 ?       ?         0.38   0.63   0.00   0.00   
1 1 1 46 27 15 o 4.3589  1.3161 ?       ?         0.23   -0.58  0.00   0.00   
1 1 1 46 28 0  o 3.7148  0.8816 4.3953  180.000   0.04   0.00   0.00   0.00   
1 1 1 46 28 1  o 6.6259  0.3864 8.2767  -129.6000 -0.77  -1.38  -0.16  -0.04  
1 1 1 46 28 2  o 3.5697  0.6828 3.2670  174.000   0.30   -0.10  -0.00  -0.01  
1 1 1 46 28 3  o 6.6914  0.4094 6.8214  91.500    -0.37  -0.01  0.01   -0.00  
1 1 1 46 28 4  o 8.2702  0.2282 9.2034  -26.1000  0.30   0.34   0.01   0.00   
1 1 1 46 28 5  o 2.1510  0.6411 3.2128  68.800    -0.01  0.27   -0.02  -0.00  
1 1 1 46 28 6  f 3.4359  0.5892 3.8802  -133.3000 0.34   0.14   0.00   0.01   
1 1 1 46 28 7  o 2.5106  0.8413 3.5916  -15.2000  0.27   -0.27  -0.01  -0.01  
1 1 1 46 28 8  f 5.6118  0.3138 5.4313  -59.6000  0.01   0.00   -0.00  -0.00  
1 1 1 46 28 9  o 3.0901  0.5651 2.3420  79.400    0.17   0.98   -0.09  -0.03  
1 1 1 46 28 10 o 5.0076  0.6515 ?       ?         -1.65  -0.29  0.04   -0.07  
1 1 1 46 28 11 o 2.5974  1.3368 ?       ?         -0.29  0.36   -0.01  -0.00  
1 1 1 46 28 12 o 0.0000  3.4059 ?       ?         0.17   0.42   0.00   0.00   
1 1 1 46 28 13 o 3.5496  1.2130 ?       ?         0.27   -0.50  0.00   0.00   
1 1 1 46 29 0  f 5.9414  0.6147 6.7613  -0.0000   -0.78  0.00   0.00   0.00   
1 1 1 46 29 1  o 4.8025  1.0475 2.8771  124.700   -1.55  1.06   0.06   0.09   
1 1 1 46 29 2  o 5.1190  0.4645 4.6898  -121.7000 -0.63  0.27   0.02   -0.04  
1 1 1 46 29 3  o 1.7909  0.9635 2.2423  -44.7000  0.14   -0.02  0.00   -0.00  
1 1 1 46 29 4  o 5.9522  0.4533 5.7324  -115.4000 0.89   -0.27  0.00   -0.05  
1 1 1 46 29 5  o 2.0819  1.0911 0.6095  36.800    0.23   0.02   0.00   -0.01  
1 1 1 46 29 6  o 0.0000  2.1416 ?       ?         -0.18  -0.12  0.00   0.01   
1 1 1 46 29 7  o 2.9058  1.0598 3.9934  -159.6000 -0.19  0.01   0.00   -0.00  
1 1 1 46 29 8  o 5.3252  2.4002 4.9382  32.000    0.37   0.75   0.01   0.01   
1 1 1 46 29 9  o 4.7154  0.6819 ?       ?         0.38   1.20   0.03   0.03   
1 1 1 46 29 10 o 5.5045  0.5804 ?       ?         0.67   -0.33  0.00   0.00   
1 1 1 46 29 11 o 4.3818  0.7828 ?       ?         -1.17  0.38   0.00   0.00   
1 1 1 46 30 0  o 3.8471  0.8710 3.5249  180.000   -0.18  0.00   0.00   0.00   
1 1 1 46 30 1  o 3.1196  0.7224 3.8666  106.300   0.57   0.74   -0.08  0.01   
1 1 1 46 30 2  o 3.8667  0.7361 3.2451  154.000   -0.62  0.15   0.02   0.00   
1 1 1 46 30 3  o 4.1425  0.9130 0.8716  -64.6000  -0.19  -0.80  0.01   0.03   
1 1 1 46 30 4  o 5.5147  0.5507 5.0131  -35.2000  0.87   0.20   0.02   0.01   
1 1 1 46 30 5  o 6.5825  0.5885 6.0473  95.900    -0.80  0.46   -0.01  -0.01  
1 1 1 46 30 6  o 3.7872  1.0120 3.5523  91.400    0.54   0.97   -0.00  0.02   
1 1 1 46 30 7  o 5.3890  0.7477 4.9526  -61.6000  -0.25  -0.40  -0.00  0.00   
1 1 1 46 30 8  o 3.1193  1.4978 3.9722  -33.0000  -0.04  -0.36  -0.00  -0.00  
1 1 1 46 30 9  o 3.6607  1.3647 ?       ?         0.17   -0.51  -0.00  -0.00  
1 1 1 46 30 10 o 1.8166  1.0451 ?       ?         0.29   -0.41  0.00   0.00   
1 1 1 46 31 0  o 1.0954  1.2833 0.6907  0.0000    -0.06  0.00   0.00   0.00   
1 1 1 46 31 1  o 3.9499  0.7466 1.4530  163.500   -0.06  -0.49  -0.01  0.00   
1 1 1 46 31 2  o 4.3942  0.6274 4.3378  159.300   -0.72  -0.20  0.02   -0.00  
1 1 1 46 31 3  o 5.0889  0.6539 4.8083  55.900    -0.96  0.81   -0.03  -0.02  
1 1 1 46 31 4  o 6.1217  0.7326 3.7244  -79.4000  0.14   0.23   -0.00  0.00   
1 1 1 46 31 5  o 1.0536  1.2402 3.4558  139.000   -0.20  -0.06  0.00   0.00   
1 1 1 46 31 6  o 4.1695  0.9917 3.5277  -12.5000  0.82   0.93   0.02   0.02   
1 1 1 46 31 7  o 3.4450  1.5716 4.5586  -102.0000 0.67   -0.31  0.02   -0.00  
1 1 1 46 31 8  o 5.8751  0.7707 ?       ?         0.59   0.27   -0.00  0.00   
1 1 1 46 31 9  o 4.6667  1.0090 ?       ?         0.34   0.26   0.00   0.00   
1 1 1 46 32 0  o 0.0000  3.6742 1.2116  0.0000    0.11   0.00   0.00   0.00   
1 1 1 46 32 1  o 1.2609  1.2791 2.6693  -168.5000 -0.35  0.17   0.00   -0.01  
1 1 1 46 32 2  o 6.5278  0.8496 6.5237  -94.1000  0.07   -1.05  -0.00  0.01   
1 1 1 46 32 3  o 6.0031  0.7368 6.5307  105.200   -0.05  0.91   -0.00  -0.01  
1 1 1 46 32 4  o 3.6142  0.9610 2.8422  5.8000    0.17   0.03   0.00   -0.00  
1 1 1 46 32 5  o 2.9536  0.9615 4.0455  90.700    0.34   -0.51  -0.00  -0.01  
1 1 1 46 32 6  o 4.0939  1.0221 2.7527  141.700   -0.27  -0.25  0.00   0.00   
1 1 1 46 32 7  o 8.3015  0.9109 ?       ?         -0.08  1.60   -0.01  -0.01  
1 1 1 46 32 8  o 3.5246  1.6548 ?       ?         0.39   0.23   -0.00  0.00   
1 1 1 46 33 0  o 2.6833  1.5424 3.5398  0.0000    0.45   0.00   0.00   0.00   
1 1 1 46 33 1  o 5.6320  0.6735 4.7942  116.300   1.15   0.65   0.02   0.00   
1 1 1 46 33 2  o 1.9356  1.2332 2.1757  -153.5000 0.22   0.08   0.00   0.00   
1 1 1 46 33 3  o 4.0656  1.0102 3.6821  109.300   0.30   0.19   -0.00  0.00   
1 1 1 46 33 4  o 0.0000  2.6503 ?       ?         -0.04  0.00   0.00   0.00   
1 1 1 46 33 5  o 6.7277  0.6612 ?       ?         0.69   1.01   0.00   0.01   
1 1 1 46 33 6  o 7.4577  0.7264 ?       ?         0.19   1.78   -0.01  0.01   
1 1 1 46 33 7  f 2.0863  1.6934 ?       ?         0.62   -0.22  0.00   -0.00  
1 1 1 46 34 0  o 7.8613  0.6662 8.2322  -0.0000   -0.06  0.00   0.00   0.00   
1 1 1 46 34 1  f 0.0000  2.5838 ?       ?         0.20   0.08   0.00   0.00   
1 1 1 46 34 2  o 5.1396  1.7514 3.8268  53.800    0.58   0.17   0.00   -0.01  
1 1 1 46 34 3  o 4.0990  0.9658 4.2954  1.2000    0.89   0.19   0.01   0.00   
1 1 1 46 34 4  o 4.7066  0.7394 ?       ?         -0.19  -0.04  0.00   0.00   
1 1 1 46 34 5  o 8.9484  0.7873 ?       ?         1.89   -2.38  0.03   0.00   
1 1 1 46 34 6  o 9.7826  1.2265 ?       ?         -0.58  -1.24  0.00   0.00   
1 1 1 46 35 0  o 5.0100  1.1507 ?       ?         0.08   0.00   0.00   0.00   
1 1 1 46 35 1  o 6.9327  0.6414 ?       ?         1.13   0.63   0.01   0.01   
1 1 1 46 35 2  o 4.1506  0.9287 ?       ?         0.53   -1.07  0.00   -0.01  
1 1 1 46 35 3  o 5.4581  1.1884 ?       ?         0.45   -0.33  -0.00  0.00   
1 1 1 46 35 4  o 5.6542  0.8238 ?       ?         0.48   1.67   -0.01  -0.01  
1 1 1 46 36 0  o 4.3474  1.5729 ?       ?         0.16   0.00   0.00   0.00   
1 1 1 46 36 1  o 7.4297  1.2464 ?       ?         -0.80  -1.39  0.00   0.00   
1 1 1 47 0  1  o 16.832  0.2286 15.109  45.000    0.41   0.41   0.00   0.00   
1 1 1 47 0  2  o 1.5166  0.7885 4.6693  180.000   -0.00  0.00   0.00   0.00   
1 1 1 47 0  3  o 9.4021  0.2436 10.045  135.000   -0.02  0.02   0.00   0.00   
1 1 1 47 0  4  o 9.1378  0.2554 13.075  -90.0000  -0.00  -0.19  0.00   0.00   
1 1 1 47 0  5  o 2.4495  0.6808 0.3790  45.000    0.03   0.03   0.00   0.00   
1 1 1 47 0  6  o 4.8166  0.4535 4.3360  -180.0000 -0.09  0.00   0.00   0.00   
1 1 1 47 0  7  o 2.9496  0.5371 0.0565  -45.0000  0.03   -0.03  0.00   0.00   
1 1 1 47 0  8  o 3.1937  0.6514 1.4570  -90.0000  0.00   0.06   0.00   0.00   
1 1 1 47 0  9  o 3.7550  0.5916 1.8182  45.000    0.02   0.02   0.00   0.00   
1 1 1 47 0  10 o 3.2094  0.6808 1.3986  -180.0000 -0.01  0.00   0.00   0.00   
1 1 1 47 0  11 o 0.0000  2.3022 1.2667  135.000   0.04   -0.04  0.00   0.00   
1 1 1 47 0  12 o 3.6194  0.6569 1.8379  90.000    0.00   0.18   0.00   0.00   
1 1 1 47 0  13 o 9.5184  0.3249 10.061  -135.0000 -0.61  -0.61  0.00   0.00   
1 1 1 47 0  14 o 9.4921  0.3503 10.193  180.000   0.04   0.00   0.00   0.00   
1 1 1 47 0  15 o 3.1145  0.7962 1.4599  -45.0000  -0.12  0.12   0.00   0.00   
1 1 1 47 0  16 o 5.9749  0.5285 ?       ?         -0.00  -1.03  0.00   0.00   
1 1 1 47 0  17 o 0.7746  1.1413 ?       ?         -0.02  -0.02  0.00   0.00   
1 1 1 47 0  18 o 2.6077  0.8982 ?       ?         -0.00  0.00   0.00   0.00   
1 1 1 47 0  19 o 8.6487  0.4708 ?       ?         -1.25  1.25   0.00   0.00   
1 1 1 47 0  20 o 7.0285  0.7714 ?       ?         -0.00  -0.24  0.00   0.00   
1 1 1 47 1  0  o 10.733  0.2191 8.9772  180.000   -0.43  0.00   0.00   0.00   
1 1 1 47 1  1  o 10.798  0.1995 12.280  -115.1000 -2.56  0.68   -0.90  -0.20  
1 1 1 47 1  2  o 5.8668  0.2466 6.5585  -36.8000  0.97   0.24   -0.07  -0.36  
1 1 1 47 1  3  o 4.8573  0.2875 4.7460  51.500    0.23   0.19   0.00   0.19   
1 1 1 47 1  4  o 12.838  0.1507 13.281  -152.2000 -0.58  -1.47  0.04   1.78   
1 1 1 47 1  5  o 10.061  0.1805 9.7659  103.300   0.18   -0.47  0.09   -0.06  
1 1 1 47 1  6  o 6.2515  0.2633 4.7266  -145.8000 -0.15  -0.28  0.04   0.09   
1 1 1 47 1  7  o 3.3466  0.3699 4.6456  -91.4000  0.31   0.10   0.13   0.09   
1 1 1 47 1  8  o 7.3963  0.2498 4.6713  133.400   0.88   0.21   0.44   0.16   
1 1 1 47 1  9  o 9.0595  0.2106 8.1804  -16.1000  1.08   -0.56  -0.03  -0.53  
1 1 1 47 1  10 o 5.7744  0.3128 6.5926  130.700   -0.15  0.12   -0.01  -0.00  
1 1 1 47 1  11 o 5.5505  0.3375 6.4386  -178.4000 -0.79  -0.15  0.23   -0.02  
1 1 1 47 1  12 o 2.0930  0.6696 2.0586  -23.5000  0.09   -0.09  0.01   -0.01  
1 1 1 47 1  13 o 4.3157  0.4532 3.8878  132.300   0.59   0.56   -0.06  -0.02  
1 1 1 47 1  14 o 4.8457  0.4056 4.5833  24.300    0.50   0.12   0.03   0.04   
1 1 1 47 1  15 o 2.0975  0.7057 2.6586  -132.7000 -0.16  -0.25  -0.01  0.02   
1 1 1 47 1  16 o 6.2509  0.3639 ?       ?         0.09   0.26   -0.01  -0.00  
1 1 1 47 1  17 o 1.8297  0.7725 ?       ?         -0.21  -0.05  0.01   0.00   
1 1 1 47 1  18 o 3.4620  0.5732 ?       ?         -0.13  0.17   -0.00  -0.00  
1 1 1 47 1  19 o 2.6878  1.0817 ?       ?         0.16   0.12   0.00   0.00   
1 1 1 47 1  20 o 2.7634  0.7533 ?       ?         -0.22  0.02   0.00   -0.00  
1 1 1 47 2  0  o 5.0794  0.3749 3.0740  0.0000    0.27   0.00   0.00   0.00   
1 1 1 47 2  1  o 17.648  0.4629 17.747  83.800    13.51  9.00   -4.32  -3.90  
1 1 1 47 2  2  o 1.1005  0.6985 3.0083  -26.1000  -0.21  -0.20  -0.10  -0.06  
1 1 1 47 2  3  f 5.3934  0.2597 5.2546  -173.2000 -0.31  -0.09  -0.06  0.04   
1 1 1 47 2  4  o 5.5218  0.2659 6.3174  22.700    -0.92  0.03   -0.23  -0.27  
1 1 1 47 2  5  o 3.5790  0.3871 4.3545  37.300    -0.14  -0.21  0.03   -0.00  
1 1 1 47 2  6  o 10.153  0.1836 9.6950  56.400    0.60   0.21   0.13   -0.13  
1 1 1 47 2  7  o 6.8721  0.2214 7.7434  -78.1000  1.20   -1.56  -0.81  0.66   
1 1 1 47 2  8  f 4.1296  0.5209 6.1231  27.800    -0.43  0.51   0.03   0.02   
1 1 1 47 2  9  o 2.4670  1.1352 3.9506  -39.4000  -0.66  -0.18  -0.03  -0.01  
1 1 1 47 2  10 o 4.0012  0.4206 4.8743  173.900   -0.02  0.18   -0.02  0.00   
1 1 1 47 2  11 o 7.4869  0.2736 6.0408  166.600   -0.60  -0.07  0.00   -0.04  
1 1 1 47 2  12 o 5.0724  0.3778 4.0614  -66.1000  0.42   -0.23  -0.03  -0.01  
1 1 1 47 2  13 o 4.3304  0.4212 3.8069  172.400   0.22   -0.31  -0.02  -0.03  
1 1 1 47 2  14 o 4.6392  0.4339 4.9929  124.900   -0.38  0.48   0.04   -0.03  
1 1 1 47 2  15 f 3.3439  0.6850 2.5491  -94.9000  0.32   0.36   -0.02  -0.01  
1 1 1 47 2  16 o 4.6755  0.4511 ?       ?         0.40   0.17   0.01   -0.00  
1 1 1 47 2  17 o 3.6353  1.6288 ?       ?         -0.74  0.26   0.00   0.03   
1 1 1 47 2  18 o 8.7392  0.3047 ?       ?         1.69   0.47   0.06   0.06   
1 1 1 47 2  19 o 7.1639  0.5481 ?       ?         -0.87  0.96   -0.03  -0.01  
1 1 1 47 2  20 o 5.7610  2.6865 ?       ?         0.90   -0.32  -0.02  -0.00  
1 1 1 47 3  0  o 20.050  0.1853 19.482  -0.0000   0.76   0.00   0.00   0.00   
1 1 1 47 3  1  f 7.4140  0.2074 8.1905  -102.5000 -0.61  0.46   0.12   0.14   
1 1 1 47 3  2  o 14.256  0.3382 13.115  -19.6000  5.20   0.47   -1.11  0.39   
1 1 1 47 3  3  o 3.1123  1.1888 1.3914  64.600    0.35   0.30   -0.00  -0.01  
1 1 1 47 3  4  o 15.257  0.1387 14.811  -43.3000  1.59   -0.31  -0.01  -1.18  
1 1 1 47 3  5  o 8.3752  0.1990 6.7183  97.700    -0.36  -0.23  0.07   -0.05  
1 1 1 47 3  6  o 3.7857  0.3980 3.1158  57.700    -0.02  0.44   0.03   0.03   
1 1 1 47 3  7  o 3.9208  0.3370 3.1815  -178.9000 -0.02  -0.07  0.00   0.01   
1 1 1 47 3  8  o 3.3088  0.4460 3.8697  106.300   -0.47  0.10   -0.02  -0.12  
1 1 1 47 3  9  o 12.428  0.1760 12.640  37.800    4.09   -0.10  0.00   2.19   
1 1 1 47 3  10 o 4.3409  0.3971 5.0844  -14.2000  -0.34  0.06   0.06   -0.01  
1 1 1 47 3  11 o 5.2327  0.3536 3.4832  -157.5000 0.12   0.11   0.00   0.01   
1 1 1 47 3  12 o 3.5859  0.4876 4.1997  133.200   -0.29  -0.05  -0.01  0.01   
1 1 1 47 3  13 o 4.2058  0.4475 3.4979  22.900    -0.20  -0.38  -0.00  0.04   
1 1 1 47 3  14 o 0.0000  1.7739 ?       ?         -0.06  0.01   0.00   0.00   
1 1 1 47 3  15 o 2.7019  0.6092 2.6189  -23.4000  -0.11  0.10   0.00   -0.01  
1 1 1 47 3  16 f 3.4906  1.2155 ?       ?         0.07   0.03   -0.00  0.00   
1 1 1 47 3  17 o 2.3794  0.6913 ?       ?         -0.50  -0.16  0.01   0.03   
1 1 1 47 3  18 o 3.5572  0.8827 ?       ?         -0.19  -0.15  -0.00  0.00   
1 1 1 47 3  19 f 2.0759  0.9536 ?       ?         -0.20  0.07   0.00   0.00   
1 1 1 47 3  20 o 2.1779  0.8603 ?       ?         0.32   0.03   0.00   0.00   
1 1 1 47 4  0  o 3.2094  0.5286 3.2180  -180.0000 -0.08  0.00   0.00   0.00   
1 1 1 47 4  1  o 15.318  0.1423 15.975  -133.4000 -0.39  -0.63  0.12   0.21   
1 1 1 47 4  2  o 10.021  0.1659 8.8690  -41.6000  -0.07  -0.80  0.02   -0.26  
1 1 1 47 4  3  o 11.171  0.3312 11.074  -39.4000  2.17   -0.71  -0.24  0.05   
1 1 1 47 4  4  o 7.3449  0.2677 6.7885  -75.0000  -1.26  -0.88  -0.21  -0.16  
1 1 1 47 4  5  o 11.578  0.2504 12.297  40.900    0.81   1.12   0.14   -0.09  
1 1 1 47 4  6  o 12.428  0.1610 11.672  49.300    -0.44  -0.29  0.11   0.14   
1 1 1 47 4  7  o 9.5961  0.1746 8.5636  -87.0000  -1.18  0.24   0.10   -0.68  
1 1 1 47 4  8  o 6.8757  0.3391 5.5138  153.700   -1.11  -0.14  -0.10  0.05   
1 1 1 47 4  9  o 5.7332  0.3004 3.7153  160.700   -0.16  -0.01  0.01   -0.00  
1 1 1 47 4  10 o 12.421  0.2885 12.141  89.700    2.30   1.83   -0.49  -0.16  
1 1 1 47 4  11 o 13.644  0.1810 15.403  78.100    -1.66  0.18   0.30   -0.25  
1 1 1 47 4  12 o 5.3574  0.3541 5.1861  38.700    -0.32  -0.03  0.01   -0.02  
1 1 1 47 4  13 o 3.5641  0.8297 3.5117  -69.3000  1.09   -0.62  0.04   0.11   
1 1 1 47 4  14 o 3.5750  0.6044 2.5563  -51.1000  0.35   -0.53  0.04   -0.01  
1 1 1 47 4  15 o 0.0000  1.7598 ?       ?         0.12   -0.14  0.01   -0.02  
1 1 1 47 4  16 o 2.3379  0.7190 ?       ?         0.32   0.47   -0.05  0.01   
1 1 1 47 4  17 o 2.8626  0.6642 ?       ?         -0.06  -0.21  -0.00  0.00   
1 1 1 47 4  18 o 0.0000  1.9103 ?       ?         -0.49  0.21   0.03   -0.03  
1 1 1 47 4  19 o 0.6212  0.9349 ?       ?         0.13   -0.10  -0.00  -0.00  
1 1 1 47 4  20 o 2.0881  1.1767 ?       ?         -0.30  0.49   -0.02  0.00   
1 1 1 47 5  0  o 8.5264  0.2561 7.5819  -0.0000   0.40   0.00   0.00   0.00   
1 1 1 47 5  1  o 8.4232  0.2980 9.4177  17.400    2.81   1.90   0.06   -0.84  
1 1 1 47 5  2  o 8.4650  0.1786 8.5160  -66.8000  0.25   -0.02  -0.02  -0.03  
1 1 1 47 5  3  o 12.776  0.1692 12.712  -67.3000  1.41   0.35   -0.07  -0.31  
1 1 1 47 5  4  o 9.8856  0.1699 10.575  -2.9000   0.52   -0.18  0.24   0.12   
1 1 1 47 5  5  o 9.2698  0.1769 11.167  75.000    1.80   2.19   -0.96  -1.18  
1 1 1 47 5  6  o 2.7471  0.4883 1.6220  88.600    0.07   0.13   -0.03  -0.01  
1 1 1 47 5  7  o 3.8714  0.3514 3.0925  124.200   0.03   -0.32  0.02   -0.07  
1 1 1 47 5  8  o 3.9929  0.6637 3.9383  -126.7000 -0.43  -2.15  0.28   0.02   
1 1 1 47 5  9  o 7.8812  0.2327 7.3635  101.400   -0.50  0.41   0.08   -0.17  
1 1 1 47 5  10 o 3.3436  0.8968 3.6171  123.600   0.50   0.10   -0.01  -0.02  
1 1 1 47 5  11 o 5.9792  0.3214 5.7430  166.600   -0.32  0.74   -0.17  -0.14  
1 1 1 47 5  12 o 5.2485  0.3706 4.8562  -64.8000  -0.34  -0.13  0.01   0.03   
1 1 1 47 5  13 o 8.7306  0.2466 8.3266  14.000    0.64   0.39   0.07   -0.00  
1 1 1 47 5  14 f 5.4570  0.5284 5.3534  -114.7000 0.62   -0.94  0.07   -0.00  
1 1 1 47 5  15 o 8.1193  0.2837 9.4113  -33.7000  1.44   -0.22  0.17   0.10   
1 1 1 47 5  16 o 1.4727  0.8451 ?       ?         0.06   -0.06  -0.00  -0.00  
1 1 1 47 5  17 o 3.3884  0.6005 ?       ?         0.30   0.49   -0.00  0.02   
1 1 1 47 5  18 o 3.2063  1.4719 ?       ?         0.01   0.21   -0.00  -0.00  
1 1 1 47 5  19 o 0.9301  0.9301 ?       ?         0.16   -0.22  -0.00  -0.01  
1 1 1 47 5  20 o 2.2413  0.8455 ?       ?         0.18   0.04   0.00   0.00   
1 1 1 47 6  0  o 7.3621  0.2685 4.6536  -0.0000   -0.31  0.00   0.00   0.00   
1 1 1 47 6  1  o 7.2264  0.3217 6.9287  1.5000    3.16   1.50   -0.24  -0.78  
1 1 1 47 6  2  o 14.435  0.2284 15.164  164.500   -5.66  -2.13  -0.42  -3.06  
1 1 1 47 6  3  o 5.8679  0.2434 4.1359  -110.5000 0.09   -0.23  0.02   -0.00  
1 1 1 47 6  4  o 7.7038  0.5648 9.2633  -108.4000 -4.69  -2.19  -0.51  -0.37  
1 1 1 47 6  5  o 3.7917  0.3597 4.4786  -17.8000  0.11   -0.12  0.01   0.00   
1 1 1 47 6  6  o 4.0375  0.7192 2.6654  42.000    0.12   -1.78  0.16   -0.04  
1 1 1 47 6  7  o 15.289  0.1455 15.584  98.800    1.44   1.82   -0.96  0.00   
1 1 1 47 6  8  o 7.2559  0.2318 6.9966  -109.9000 0.00   -0.76  -0.24  -0.23  
1 1 1 47 6  9  o 9.2627  0.2100 11.155  174.100   -0.69  -0.68  0.13   -0.04  
1 1 1 47 6  10 o 4.1283  0.3936 4.4293  -138.8000 0.05   -0.06  -0.00  -0.00  
1 1 1 47 6  11 o 2.4703  0.6038 3.1481  114.100   -0.12  0.00   0.01   0.00   
1 1 1 47 6  12 o 5.0363  0.4769 4.5305  -38.2000  0.18   -1.19  0.09   -0.07  
1 1 1 47 6  13 o 4.6390  0.6556 3.1792  118.000   1.57   0.07   -0.08  0.09   
1 1 1 47 6  14 o 4.6924  0.4286 4.8277  156.900   -0.13  -0.25  0.01   0.00   
1 1 1 47 6  15 o 3.1606  0.6692 3.6866  -161.6000 -0.01  0.14   0.00   0.00   
1 1 1 47 6  16 o 7.9836  0.2921 ?       ?         0.60   3.10   -0.69  -0.12  
1 1 1 47 6  17 o 5.3990  0.4402 ?       ?         0.57   -0.31  0.02   -0.01  
1 1 1 47 6  18 o 0.2370  0.6967 ?       ?         -0.08  0.02   0.00   -0.00  
1 1 1 47 6  19 o 3.6419  1.2116 ?       ?         0.95   0.32   0.02   -0.02  
1 1 1 47 6  20 o 2.7655  1.3497 ?       ?         -0.19  -0.05  0.00   0.00   
1 1 1 47 7  0  o 2.5690  0.6010 2.8868  0.0000    -0.00  0.00   0.00   0.00   
1 1 1 47 7  1  o 14.110  0.1399 15.640  -36.8000  0.30   -0.50  0.07   -0.19  
1 1 1 47 7  2  o 12.944  0.1428 13.200  -94.1000  0.43   -1.43  -1.30  0.65   
1 1 1 47 7  3  o 6.4805  0.2225 6.6397  120.200   -0.05  0.57   0.10   -0.20  
1 1 1 47 7  4  o 6.2879  0.2387 5.8940  30.000    1.23   0.44   -0.70  0.42   
1 1 1 47 7  5  o 6.5954  0.3646 6.1430  99.900    1.20   2.75   0.18   -0.60  
1 1 1 47 7  6  o 9.9032  0.1846 10.599  170.400   0.17   0.37   0.01   0.08   
1 1 1 47 7  7  o 3.0773  0.4005 1.9302  -155.4000 -0.02  0.44   0.01   -0.14  
1 1 1 47 7  8  o 10.646  0.1726 9.9224  -105.3000 0.52   -0.21  -0.04  -0.02  
1 1 1 47 7  9  o 5.8156  0.3020 5.5504  -110.5000 -0.33  -0.81  -0.37  0.15   
1 1 1 47 7  10 o 10.340  0.2053 9.9837  -64.0000  0.90   -1.19  0.36   -0.34  
1 1 1 47 7  11 o 3.0029  0.5485 3.1243  -17.2000  -0.22  -0.41  -0.03  -0.03  
1 1 1 47 7  12 o 4.1020  0.4359 3.8297  -56.2000  -0.23  0.16   0.01   0.00   
1 1 1 47 7  13 o 2.9428  0.5835 3.4552  170.100   -0.12  0.33   0.01   -0.02  
1 1 1 47 7  14 o 3.8347  0.5077 3.4660  29.600    -0.41  -0.25  -0.02  0.02   
1 1 1 47 7  15 o 8.9681  0.2945 9.2984  -123.5000 -0.70  -1.56  -0.14  -0.09  
1 1 1 47 7  16 o 4.9349  0.5216 ?       ?         -0.48  -0.46  -0.02  -0.00  
1 1 1 47 7  17 o 3.2693  1.3661 ?       ?         0.26   0.79   0.03   0.04   
1 1 1 47 7  18 o 4.8155  0.4653 ?       ?         -0.13  -0.21  -0.00  0.00   
1 1 1 47 7  19 o 5.8808  1.0909 ?       ?         0.08   0.09   0.00   0.00   
1 1 1 47 7  20 o 2.6656  0.9432 ?       ?         0.85   -0.34  0.01   -0.00  
1 1 1 47 8  0  o 2.1679  0.6632 4.5957  0.0000    -0.00  0.00   0.00   0.00   
1 1 1 47 8  1  f 9.1753  0.1714 7.6941  -20.4000  0.08   -0.46  0.03   -0.18  
1 1 1 47 8  2  o 4.2482  0.3158 2.2962  -11.9000  0.34   0.24   -0.20  0.21   
1 1 1 47 8  3  o 8.2848  0.3212 7.9209  151.700   0.76   1.54   0.05   -0.18  
1 1 1 47 8  4  o 12.733  0.4179 11.246  -139.0000 -5.19  -0.88  -0.79  0.07   
1 1 1 47 8  5  o 5.9881  0.2572 6.0607  164.500   -0.04  0.17   -0.03  0.02   
1 1 1 47 8  6  o 0.7501  0.7536 2.0220  -57.3000  0.18   0.14   -0.01  -0.01  
1 1 1 47 8  7  o 18.318  0.1358 18.002  106.900   0.01   0.58   -0.03  0.04   
1 1 1 47 8  8  o 6.0705  0.5565 3.8411  116.200   -3.72  2.18   -0.52  0.39   
1 1 1 47 8  9  o 10.773  0.1893 9.5144  -28.8000  0.25   0.66   0.04   0.09   
1 1 1 47 8  10 o 3.8902  0.4314 1.3040  -48.2000  -0.33  0.52   0.05   0.01   
1 1 1 47 8  11 o 6.1835  0.3025 5.6467  -152.6000 0.74   0.06   -0.00  -0.07  
1 1 1 47 8  12 o 1.9011  0.9184 1.2550  -25.4000  0.05   0.18   0.00   -0.01  
1 1 1 47 8  13 f 11.684  0.2129 12.795  -119.5000 -1.38  -0.16  0.20   0.07   
1 1 1 47 8  14 o 7.1107  0.4016 7.0835  -133.9000 -0.25  -0.46  -0.01  -0.01  
1 1 1 47 8  15 o 6.2290  0.3532 6.4624  144.900   -0.73  0.18   0.04   0.03   
1 1 1 47 8  16 o 4.8049  0.4685 ?       ?         -0.00  -1.09  -0.05  0.05   
1 1 1 47 8  17 o 2.7093  0.6223 ?       ?         -0.28  0.28   0.01   -0.01  
1 1 1 47 8  18 o 2.9432  0.6698 ?       ?         0.11   0.07   0.00   0.00   
1 1 1 47 8  19 o 5.6176  0.5145 ?       ?         -1.03  -0.77  0.00   0.02   
1 1 1 47 8  20 o 2.9226  1.3978 ?       ?         0.07   -0.14  -0.00  -0.00  
1 1 1 47 9  0  o 8.8034  0.2538 9.9212  180.000   -0.34  0.00   0.00   0.00   
1 1 1 47 9  1  o 3.4625  0.3610 1.2819  -47.3000  0.51   -0.17  -0.01  0.12   
1 1 1 47 9  2  o 8.0214  0.1927 9.7630  -106.4000 -1.00  -0.98  -0.22  -0.26  
1 1 1 47 9  3  o 2.5152  0.4687 2.7418  8.8000    0.33   -0.15  0.01   0.06   
1 1 1 47 9  4  o 5.9441  0.2540 6.1827  -21.0000  0.07   -0.10  -0.02  -0.01  
1 1 1 47 9  5  o 4.7937  0.2886 6.9911  -69.3000  -0.36  -0.04  -0.03  0.02   
1 1 1 47 9  6  o 6.0181  0.3983 5.2408  -169.3000 -0.13  -1.17  0.10   0.04   
1 1 1 47 9  7  o 5.0785  0.6113 6.2410  35.500    0.78   -1.57  0.11   0.06   
1 1 1 47 9  8  o 8.1648  0.2036 6.5528  -75.3000  0.26   0.71   0.09   0.07   
1 1 1 47 9  9  o 4.2416  0.3879 2.7418  -142.2000 -1.52  -0.70  -0.34  0.05   
1 1 1 47 9  10 o 3.2768  0.8515 2.2267  -19.5000  -0.13  0.44   0.01   0.02   
1 1 1 47 9  11 o 5.1520  0.3611 4.7080  157.600   -0.44  0.11   0.01   0.02   
1 1 1 47 9  12 o 5.9673  0.3170 5.0410  -10.2000  0.67   0.20   -0.00  0.09   
1 1 1 47 9  13 o 4.3369  0.6287 3.4891  88.100    -1.11  0.41   -0.08  -0.02  
1 1 1 47 9  14 o 6.2264  0.3429 6.0431  10.200    0.07   0.57   -0.03  -0.02  
1 1 1 47 9  15 o 7.7093  0.2934 ?       ?         -1.65  -1.13  0.22   0.07   
1 1 1 47 9  16 o 4.8911  0.4325 ?       ?         -0.57  -0.32  0.03   0.00   
1 1 1 47 9  17 o 4.6122  1.1047 ?       ?         -1.12  -1.05  0.04   -0.04  
1 1 1 47 9  18 o 8.0114  0.3353 ?       ?         -0.26  -0.29  0.00   0.00   
1 1 1 47 9  19 o 3.3140  0.7210 ?       ?         0.21   -0.04  0.00   -0.00  
1 1 1 47 9  20 o 2.5736  1.2471 ?       ?         -0.31  0.52   -0.00  -0.00  
1 1 1 47 10 0  o 4.0373  0.4438 5.9656  0.0000    0.25   0.00   0.00   0.00   
1 1 1 47 10 1  o 7.9809  0.1828 6.3108  158.700   -0.23  1.06   -0.50  0.88   
1 1 1 47 10 2  o 5.8215  0.2578 4.5490  36.200    -0.38  -1.09  0.06   -0.16  
1 1 1 47 10 3  o 1.7860  0.8395 0.8599  -176.6000 0.38   -0.35  0.05   0.09   
1 1 1 47 10 4  o 5.7618  0.2697 4.8890  137.800   0.65   1.00   -1.15  -0.23  
1 1 1 47 10 5  o 12.027  0.1604 13.787  21.900    1.03   0.41   0.33   0.36   
1 1 1 47 10 6  o 6.5345  0.2581 6.2054  -145.2000 -0.55  -0.19  -0.08  0.10   
1 1 1 47 10 7  o 4.1993  0.3532 3.8231  -74.4000  1.37   -0.32  -0.26  -0.10  
1 1 1 47 10 8  o 7.3152  0.2290 6.9914  -103.9000 -0.75  0.17   -0.07  -0.05  
1 1 1 47 10 9  o 2.9688  0.4965 2.1548  -120.7000 0.25   -0.10  -0.02  -0.02  
1 1 1 47 10 10 o 5.8257  0.5211 7.1950  -21.9000  0.36   -1.40  0.04   0.09   
1 1 1 47 10 11 o 4.2074  0.4160 2.9635  -76.2000  0.06   0.33   -0.02  0.03   
1 1 1 47 10 12 o 6.4485  0.3006 6.9613  -6.5000   0.18   -0.14  -0.00  -0.01  
1 1 1 47 10 13 f 8.9009  0.2442 7.8349  157.500   -0.00  0.13   -0.00  -0.00  
1 1 1 47 10 14 o 2.7203  0.6025 2.6885  149.000   -0.19  0.23   -0.00  -0.02  
1 1 1 47 10 15 o 2.5267  0.6832 ?       ?         0.01   0.15   -0.00  -0.00  
1 1 1 47 10 16 o 5.2241  0.4197 ?       ?         0.33   0.17   0.01   0.01   
1 1 1 47 10 17 o 2.6635  0.7711 ?       ?         -0.42  -0.51  0.03   0.01   
1 1 1 47 10 18 o 1.8823  0.9683 ?       ?         0.31   0.25   -0.00  0.01   
1 1 1 47 10 19 o 6.0129  0.5250 ?       ?         -2.33  0.89   0.04   -0.05  
1 1 1 47 11 0  o 5.7793  0.3425 3.1057  180.000   -0.18  0.00   0.00   0.00   
1 1 1 47 11 1  o 1.7657  0.5860 2.3792  -171.5000 -0.27  -0.50  0.15   -0.05  
1 1 1 47 11 2  o 5.3926  0.2598 5.9625  98.900    -0.16  0.60   -0.05  0.20   
1 1 1 47 11 3  o 2.3202  0.4903 1.1060  4.9000    0.13   -0.00  0.03   0.02   
1 1 1 47 11 4  o 7.7114  0.4692 7.1618  84.100    -0.58  0.65   0.01   0.02   
1 1 1 47 11 5  o 8.0957  0.2013 7.4669  171.900   0.71   0.14   0.20   -0.18  
1 1 1 47 11 6  o 5.1016  0.4427 5.0960  53.500    0.84   -0.59  -0.06  0.04   
1 1 1 47 11 7  o 5.8634  0.2566 5.4170  94.000    -0.32  -0.00  0.00   0.04   
1 1 1 47 11 8  o 3.8360  0.3804 3.4551  -108.1000 0.32   -0.20  -0.03  -0.08  
1 1 1 47 11 9  o 3.4554  0.4473 2.7447  37.300    0.71   0.00   0.13   0.16   
1 1 1 47 11 10 o 3.3423  0.4467 2.9812  60.200    0.26   -0.24  -0.03  0.00   
1 1 1 47 11 11 o 4.6777  0.4042 3.7725  41.000    0.54   -0.40  -0.00  -0.12  
1 1 1 47 11 12 o 15.154  0.3980 15.117  40.100    1.64   4.65   0.56   0.46   
1 1 1 47 11 13 o 7.1974  0.2990 7.4282  -49.9000  -0.28  -0.23  0.01   0.01   
1 1 1 47 11 14 o 4.4846  0.4457 3.9929  15.600    0.49   0.78   -0.06  -0.02  
1 1 1 47 11 15 o 4.5767  0.4440 ?       ?         -1.45  -0.43  0.15   -0.06  
1 1 1 47 11 16 o 2.6190  1.2396 ?       ?         0.18   0.56   -0.02  -0.02  
1 1 1 47 11 17 o 0.0000  1.9234 ?       ?         -0.59  -0.01  0.04   0.01   
1 1 1 47 11 18 o 4.4224  0.5983 ?       ?         0.44   0.81   0.00   0.02   
1 1 1 47 11 19 o 0.0000  2.2676 ?       ?         -0.19  0.24   -0.00  -0.00  
1 1 1 47 12 0  o 3.9875  0.4583 0.2892  -0.0000   0.07   0.00   0.00   0.00   
1 1 1 47 12 1  o 2.2988  0.4798 1.3684  -96.5000  0.30   0.03   -0.03  0.02   
1 1 1 47 12 2  o 6.7021  0.2428 5.9241  -20.2000  0.13   -1.21  0.18   -0.08  
1 1 1 47 12 3  o 6.0758  0.2385 4.7406  -174.6000 -0.11  0.43   -0.26  0.02   
1 1 1 47 12 4  o 6.0364  0.3150 7.1382  -80.2000  -0.54  1.66   0.09   0.30   
1 1 1 47 12 5  o 13.441  0.1581 13.062  17.500    -1.53  -0.05  0.63   -0.32  
1 1 1 47 12 6  o 4.8276  0.3282 5.2905  -120.9000 -1.36  0.15   -0.07  0.42   
1 1 1 47 12 7  f 0.7633  0.7250 2.0885  160.600   0.06   -0.14  -0.04  0.01   
1 1 1 47 12 8  o 10.008  0.3611 11.255  -174.9000 -3.57  0.06   -0.44  0.40   
1 1 1 47 12 9  o 7.5104  0.2402 7.2387  -48.0000  -0.68  -1.63  -0.22  -0.41  
1 1 1 47 12 10 o 1.2727  0.7524 1.4154  -56.3000  0.08   0.02   0.01   -0.00  
1 1 1 47 12 11 o 3.1081  0.9588 2.7564  -71.6000  -0.23  -0.48  0.02   -0.00  
1 1 1 47 12 12 o 4.7864  0.4096 6.5089  53.800    -0.10  0.18   -0.01  -0.00  
1 1 1 47 12 13 o 9.3530  0.2382 8.3564  36.100    0.89   -1.16  0.01   -0.25  
1 1 1 47 12 14 o 2.9239  1.3054 2.6705  -22.5000  0.95   -0.21  -0.00  0.10   
1 1 1 47 12 15 o 2.7644  0.6418 ?       ?         0.37   -0.20  0.01   -0.02  
1 1 1 47 12 16 o 3.4738  0.5820 ?       ?         -0.07  -0.39  -0.01  0.01   
1 1 1 47 12 17 o 5.2761  0.5897 ?       ?         -0.87  -1.25  -0.05  -0.00  
1 1 1 47 12 18 o 2.0873  0.9830 ?       ?         -0.33  0.05   0.01   0.00   
1 1 1 47 12 19 o 5.0883  0.8067 ?       ?         0.15   2.11   0.00   0.06   
1 1 1 47 13 0  o 8.9219  0.2507 7.6900  0.0000    0.60   0.00   0.00   0.00   
1 1 1 47 13 1  o 6.0708  0.2337 3.9581  -163.5000 -0.80  0.42   0.02   0.16   
1 1 1 47 13 2  o 4.4427  0.5676 4.7728  8.3000    1.78   -0.33  -0.12  0.10   
1 1 1 47 13 3  o 4.7149  0.2955 4.3817  18.600    -0.13  -0.54  -0.20  -0.14  
1 1 1 47 13 4  o 8.2010  0.1957 8.4384  120.200   -0.20  -1.04  0.15   0.12   
1 1 1 47 13 5  o 7.7983  0.2149 8.8041  106.200   -0.25  1.05   -0.50  0.33   
1 1 1 47 13 6  o 7.5309  0.2176 9.8832  -165.9000 -0.09  -0.30  -0.02  -0.03  
1 1 1 47 13 7  o 3.1606  1.2683 2.1436  38.700    0.39   0.66   0.02   -0.02  
1 1 1 47 13 8  o 7.0315  0.2225 6.1064  138.300   -0.12  0.81   0.02   -0.21  
1 1 1 47 13 9  o 4.7863  0.3514 4.1392  -125.5000 -0.27  -0.12  0.02   0.03   
1 1 1 47 13 10 o 4.3156  0.3810 4.5205  -141.5000 -0.59  0.70   0.14   -0.02  
1 1 1 47 13 11 o 5.1716  0.8614 6.0150  49.000    2.07   1.66   -0.14  -0.13  
1 1 1 47 13 12 o 7.5706  0.2749 7.9275  149.600   -0.28  0.39   -0.03  -0.00  
1 1 1 47 13 13 o 4.5504  0.6381 5.6532  -50.9000  -0.35  0.06   -0.00  0.01   
1 1 1 47 13 14 o 4.1192  0.4610 4.1606  -37.4000  0.08   -0.37  -0.01  -0.01  
1 1 1 47 13 15 o 2.2415  0.7586 ?       ?         0.09   -0.35  -0.02  0.01   
1 1 1 47 13 16 o 6.8411  0.3682 ?       ?         0.58   0.29   0.01   0.01   
1 1 1 47 13 17 o 4.0123  0.5798 ?       ?         0.05   -0.82  -0.01  -0.01  
1 1 1 47 13 18 o 2.4898  0.8765 ?       ?         0.35   -0.42  0.00   -0.01  
1 1 1 47 13 19 o 4.9634  0.6375 ?       ?         0.10   0.66   -0.00  0.00   
1 1 1 47 14 0  o 3.2404  0.5250 1.4617  180.000   -0.05  0.00   0.00   0.00   
1 1 1 47 14 1  o 7.0975  0.1969 7.7012  -53.9000  -0.02  0.49   0.05   -0.10  
1 1 1 47 14 2  o 3.5119  0.3474 5.4018  166.900   -0.26  0.30   0.11   -0.02  
1 1 1 47 14 3  o 9.8473  0.1722 10.329  -34.6000  0.16   -0.51  -0.02  0.05   
1 1 1 47 14 4  o 6.3014  0.2385 5.3530  -64.2000  0.44   -0.23  0.17   -0.11  
1 1 1 47 14 5  o 5.3923  0.2682 4.5068  27.600    -0.32  -0.23  0.09   0.08   
1 1 1 47 14 6  o 0.4033  0.6835 3.5450  8.9000    0.08   0.08   0.02   0.01   
1 1 1 47 14 7  o 3.9792  0.3551 3.5632  -132.3000 0.13   0.06   -0.01  0.01   
1 1 1 47 14 8  o 5.7295  0.3359 5.6519  -111.9000 1.31   -0.33  -0.15  -0.05  
1 1 1 47 14 9  o 4.8113  0.3507 4.8317  114.600   -0.07  0.30   -0.01  0.02   
1 1 1 47 14 10 o 5.2617  0.3472 5.7450  16.500    0.41   0.56   0.07   0.07   
1 1 1 47 14 11 o 5.8792  0.6249 6.3743  -131.8000 -0.83  -1.91  0.16   -0.00  
1 1 1 47 14 12 o 0.2725  0.6807 0.5257  177.400   -0.11  -0.11  0.00   0.02   
1 1 1 47 14 13 o 2.6824  0.6134 2.1078  66.900    0.40   0.15   0.01   0.03   
1 1 1 47 14 14 o 8.4544  0.2885 9.3077  -137.3000 -1.57  -1.49  0.27   0.14   
1 1 1 47 14 15 o 1.1378  0.9320 ?       ?         0.00   0.16   -0.00  -0.00  
1 1 1 47 14 16 o 2.2197  0.8299 ?       ?         0.35   0.27   -0.01  0.02   
1 1 1 47 14 17 o 3.0639  0.9828 ?       ?         0.28   -0.42  0.01   -0.01  
1 1 1 47 14 18 o 2.1789  1.0447 ?       ?         0.11   0.04   0.00   0.00   
1 1 1 47 14 19 o 5.7409  1.1443 ?       ?         1.03   -0.80  0.02   0.00   
1 1 1 47 15 0  o 2.0736  0.7048 3.1154  -180.0000 0.03   0.00   0.00   0.00   
1 1 1 47 15 1  o 2.3445  0.4640 0.8928  -21.4000  -0.01  -0.16  -0.02  -0.02  
1 1 1 47 15 2  o 9.2098  0.1671 8.4053  154.200   -0.57  0.07   0.11   -0.14  
1 1 1 47 15 3  o 3.1826  0.4918 5.3926  -96.4000  -0.31  0.50   0.03   0.02   
1 1 1 47 15 4  f 13.339  0.1732 13.391  -54.7000  1.29   0.20   -0.10  0.17   
1 1 1 47 15 5  o 9.2984  0.1820 9.2141  137.100   -0.88  0.87   0.49   -0.34  
1 1 1 47 15 6  o 5.6838  0.5053 6.2585  18.500    1.91   -1.59  0.10   0.26   
1 1 1 47 15 7  o 11.039  0.3036 8.9605  166.900   -3.09  1.93   -0.63  0.18   
1 1 1 47 15 8  o 8.4709  0.2068 9.5711  97.600    0.55   0.82   -0.17  -0.06  
1 1 1 47 15 9  o 8.4935  0.2215 8.4377  76.800    0.05   1.09   -0.04  0.19   
1 1 1 47 15 10 o 1.9518  0.6770 3.0275  -14.3000  0.02   0.32   0.00   0.04   
1 1 1 47 15 11 o 3.1085  0.5219 2.2645  113.500   -0.33  0.29   -0.03  -0.01  
1 1 1 47 15 12 o 8.9853  0.2290 9.2455  -154.4000 -2.04  0.23   0.40   0.22   
1 1 1 47 15 13 o 2.5474  0.6569 3.3700  112.500   -0.26  0.02   0.01   0.01   
1 1 1 47 15 14 o 2.2318  0.7050 ?       ?         0.12   -0.31  -0.00  -0.02  
1 1 1 47 15 15 o 2.5527  0.7372 ?       ?         0.43   0.03   0.01   0.02   
1 1 1 47 15 16 o 3.5737  0.8598 ?       ?         -0.50  -0.13  -0.00  0.01   
1 1 1 47 15 17 o 3.0366  0.7300 ?       ?         0.28   0.06   0.00   -0.00  
1 1 1 47 15 18 o 2.0623  1.0928 ?       ?         0.00   -0.31  -0.00  0.00   
1 1 1 47 15 19 o 0.5149  1.1346 ?       ?         -0.07  -0.44  -0.00  0.00   
1 1 1 47 16 0  o 3.4785  0.4983 2.5611  -180.0000 -0.19  0.00   0.00   0.00   
1 1 1 47 16 1  o 7.6939  0.1918 8.4570  -133.7000 -0.86  0.10   0.02   0.23   
1 1 1 47 16 2  o 4.0046  0.4145 4.2560  98.600    -0.19  0.14   0.00   0.01   
1 1 1 47 16 3  o 8.6264  0.2689 8.2050  120.800   -2.56  1.34   0.13   0.67   
1 1 1 47 16 4  o 4.1254  0.3058 4.3961  -148.3000 -0.39  -0.74  -0.48  -0.10  
1 1 1 47 16 5  o 3.5559  0.3733 1.4447  -99.0000  0.27   -0.10  -0.02  -0.02  
1 1 1 47 16 6  o 4.7611  0.4951 5.6337  51.300    1.65   -0.66  -0.04  0.18   
1 1 1 47 16 7  o 2.5484  0.4693 3.5579  -9.8000   0.53   0.30   -0.11  0.03   
1 1 1 47 16 8  f 9.1546  0.1873 10.774  39.200    1.84   -0.18  0.64   0.35   
1 1 1 47 16 9  o 5.0626  0.4010 7.0009  66.600    0.26   0.90   -0.01  -0.07  
1 1 1 47 16 10 o 5.1626  0.3351 3.5763  154.200   0.44   -0.15  0.05   -0.00  
1 1 1 47 16 11 o 3.1944  0.4636 2.8411  149.100   0.63   -0.08  0.02   0.06   
1 1 1 47 16 12 o 7.4235  0.5355 8.3619  -125.3000 -0.37  1.14   -0.01  0.05   
1 1 1 47 16 13 o 2.2485  0.7063 2.0923  145.800   -0.03  0.30   -0.00  -0.02  
1 1 1 47 16 14 o 2.8442  0.6070 ?       ?         0.19   -0.39  -0.02  -0.01  
1 1 1 47 16 15 o 2.6863  0.6971 ?       ?         -0.19  0.12   0.00   -0.00  
1 1 1 47 16 16 o 3.0223  0.7369 ?       ?         0.08   -0.04  0.00   -0.00  
1 1 1 47 16 17 f 4.9146  0.5863 ?       ?         -0.29  0.22   0.00   -0.00  
1 1 1 47 16 18 o 1.1829  1.1041 ?       ?         -0.53  0.20   0.01   -0.00  
1 1 1 47 16 19 o 0.0000  2.9098 ?       ?         -0.15  -0.67  -0.01  0.00   
1 1 1 47 17 0  o 2.9833  0.5447 2.6291  0.0000    -0.04  0.00   0.00   0.00   
1 1 1 47 17 1  o 10.126  0.1593 9.3047  57.500    1.60   0.11   -0.13  0.52   
1 1 1 47 17 2  o 2.6275  0.4333 2.6306  156.100   0.31   -0.39  -0.12  0.05   
1 1 1 47 17 3  o 5.6903  0.2474 4.6116  128.600   -0.27  0.59   0.03   -0.27  
1 1 1 47 17 4  o 3.4353  0.6471 2.6675  -75.8000  -0.33  -0.42  -0.00  -0.02  
1 1 1 47 17 5  o 3.7349  0.3722 5.2447  -165.9000 -1.57  0.79   0.08   0.37   
1 1 1 47 17 6  f 9.2103  0.2788 11.854  -173.3000 -1.37  0.42   -0.13  -0.04  
1 1 1 47 17 7  f 6.2882  0.3157 6.3460  -52.0000  -0.02  -1.61  0.14   -0.17  
1 1 1 47 17 8  o 5.1806  0.4632 6.1988  -74.1000  -0.74  1.09   -0.04  0.10   
1 1 1 47 17 9  o 6.6254  0.2542 5.8789  -42.1000  0.06   -0.96  -0.12  0.16   
1 1 1 47 17 10 o 1.3166  0.7711 1.2974  50.700    0.30   0.36   0.09   0.01   
1 1 1 47 17 11 o 9.3860  0.2174 9.2499  177.300   -0.72  -0.36  0.07   0.01   
1 1 1 47 17 12 o 2.6107  0.6024 2.3328  119.700   0.12   0.09   0.00   0.00   
1 1 1 47 17 13 o 5.4863  0.3652 5.8290  63.600    0.86   0.69   0.03   0.14   
1 1 1 47 17 14 o 6.0658  0.4483 ?       ?         0.49   0.66   0.02   0.01   
1 1 1 47 17 15 o 4.4730  0.5059 ?       ?         0.02   -0.46  -0.00  -0.01  
1 1 1 47 17 16 o 4.0100  1.1936 ?       ?         0.41   -0.58  -0.01  0.00   
1 1 1 47 17 17 o 4.2073  0.7345 ?       ?         1.01   0.22   -0.00  0.02   
1 1 1 47 17 18 o 4.3725  0.7632 ?       ?         -0.79  0.51   0.01   -0.00  
1 1 1 47 18 0  o 0.0000  1.8974 1.1081  180.000   -0.01  0.00   0.00   0.00   
1 1 1 47 18 1  o 7.5144  0.2712 5.8624  159.100   -0.59  2.45   0.20   0.48   
1 1 1 47 18 2  o 9.2682  0.1948 9.5178  -17.0000  -0.57  -0.40  -0.06  -0.01  
1 1 1 47 18 3  o 4.7695  0.2735 5.2114  22.600    0.74   -0.24  -0.16  -0.14  
1 1 1 47 18 4  o 8.0757  0.1913 5.9174  77.400    -0.44  1.19   -0.58  0.12   
1 1 1 47 18 5  o 8.7375  0.1893 9.2030  39.400    0.42   -2.02  0.39   -0.49  
1 1 1 47 18 6  f 2.9150  0.4363 1.9596  154.300   0.43   0.05   -0.00  0.07   
1 1 1 47 18 7  o 4.2134  0.3480 2.5858  174.900   0.13   -0.55  -0.01  0.05   
1 1 1 47 18 8  o 7.1036  0.3548 6.1657  -50.9000  0.12   0.12   -0.00  -0.00  
1 1 1 47 18 9  o 3.1009  0.4158 1.4684  133.400   -0.07  -0.45  0.02   0.04   
1 1 1 47 18 10 o 7.8014  0.5982 7.3797  41.500    -0.36  2.67   0.16   -0.10  
1 1 1 47 18 11 o 6.0057  0.3092 5.2117  0.2000    0.66   0.41   0.06   0.08   
1 1 1 47 18 12 o 3.7513  0.4529 5.3670  131.100   -0.18  -0.40  -0.02  0.01   
1 1 1 47 18 13 f 1.9641  0.7474 2.0022  119.000   -0.27  0.14   0.01   -0.01  
1 1 1 47 18 14 o 3.6596  0.5494 ?       ?         0.12   -0.03  0.00   -0.00  
1 1 1 47 18 15 o 1.9605  0.9229 ?       ?         -0.06  -0.02  0.00   0.00   
1 1 1 47 18 16 o 2.4172  0.8570 ?       ?         0.12   0.08   0.00   0.00   
1 1 1 47 18 17 o 2.5726  0.9315 ?       ?         -0.23  -0.22  -0.00  0.00   
1 1 1 47 18 18 o 5.5869  0.8822 ?       ?         0.36   0.61   -0.00  -0.00  
1 1 1 47 19 0  o 5.1962  0.3254 4.3348  180.000   -0.54  0.00   0.00   0.00   
1 1 1 47 19 1  o 2.5011  0.4071 1.5332  -141.1000 -0.08  -0.07  0.01   0.01   
1 1 1 47 19 2  o 12.816  0.1785 11.729  -33.4000  1.51   -0.18  0.00   0.22   
1 1 1 47 19 3  o 7.1173  0.2665 5.2638  -147.0000 3.67   0.01   -0.83  0.86   
1 1 1 47 19 4  o 7.9379  0.1860 7.1978  -50.2000  0.00   0.06   -0.00  -0.00  
1 1 1 47 19 5  o 3.0100  0.3873 3.2128  -31.4000  0.07   -0.22  -0.04  -0.01  
1 1 1 47 19 6  o 3.1856  0.3866 3.6487  -98.9000  0.14   -0.22  0.02   -0.03  
1 1 1 47 19 7  o 8.2601  0.2095 7.6702  53.200    -0.62  -0.95  0.14   0.04   
1 1 1 47 19 8  o 2.3035  0.7871 1.8485  -127.9000 0.02   -0.11  0.00   0.00   
1 1 1 47 19 9  o 4.4723  0.3740 3.7979  -22.0000  0.77   0.24   0.01   -0.06  
1 1 1 47 19 10 o 3.2533  0.4894 3.5401  -39.3000  0.11   -0.51  -0.03  0.03   
1 1 1 47 19 11 o 2.8286  0.5395 2.1881  -60.8000  0.70   0.00   -0.00  -0.07  
1 1 1 47 19 12 o 6.5543  0.3589 7.2100  -61.8000  0.80   0.72   0.06   -0.02  
1 1 1 47 19 13 o 0.0000  1.7774 ?       ?         0.04   0.06   -0.00  0.00   
1 1 1 47 19 14 o 6.1722  0.3846 ?       ?         0.11   0.75   -0.01  -0.02  
1 1 1 47 19 15 o 1.1664  1.0035 ?       ?         0.08   -0.19  -0.00  -0.00  
1 1 1 47 19 16 o 5.1690  0.5983 ?       ?         -0.11  0.03   0.00   -0.00  
1 1 1 47 19 17 o 4.0019  0.8056 ?       ?         -0.38  0.66   -0.01  -0.00  
1 1 1 47 19 18 o 5.0298  0.9041 ?       ?         0.37   1.42   -0.00  -0.01  
1 1 1 47 20 0  o 9.4446  0.2975 9.4572  180.000   0.54   0.00   0.00   0.00   
1 1 1 47 20 1  o 3.8457  0.4218 4.2485  137.200   0.69   -0.57  0.06   0.06   
1 1 1 47 20 2  o 2.9304  0.3928 2.8506  144.500   0.36   0.12   0.04   0.09   
1 1 1 47 20 3  o 7.3607  0.2721 6.1047  -154.8000 0.08   -1.70  0.18   -0.15  
1 1 1 47 20 4  o 4.8195  0.5398 5.8404  19.800    1.88   -0.31  -0.09  0.09   
1 1 1 47 20 5  o 5.3095  0.2489 5.2083  60.700    0.86   0.67   -0.24  -0.02  
1 1 1 47 20 6  o 3.4624  0.3708 2.8906  -58.4000  -1.24  0.01   -0.08  0.26   
1 1 1 47 20 7  o 2.7424  0.4418 2.9652  -14.2000  -0.09  0.24   -0.03  0.00   
1 1 1 47 20 8  o 4.8682  0.2685 5.0531  91.100    0.26   0.56   -0.13  -0.02  
1 1 1 47 20 9  f 1.6347  0.5897 2.9820  -178.9000 -0.01  -0.17  -0.01  0.02   
1 1 1 47 20 10 o 8.6657  0.4848 7.9947  -53.5000  -2.67  -3.84  0.65   -0.20  
1 1 1 47 20 11 o 4.2067  0.4114 4.5611  -26.9000  -0.20  -0.94  -0.10  -0.03  
1 1 1 47 20 12 o 3.9618  0.5728 2.1092  -44.9000  -0.20  -1.01  0.04   0.05   
1 1 1 47 20 13 o 4.3153  0.7555 ?       ?         0.04   -0.16  0.00   -0.00  
1 1 1 47 20 14 o 6.1365  0.4730 ?       ?         1.79   0.87   -0.04  0.09   
1 1 1 47 20 15 o 0.9873  1.1126 ?       ?         0.00   0.00   0.00   -0.00  
1 1 1 47 20 16 o 6.1373  0.7616 ?       ?         0.43   -1.73  0.02   -0.03  
1 1 1 47 20 17 o 2.0512  1.4207 ?       ?         -0.39  -0.15  0.00   0.00   
1 1 1 47 20 18 o 3.7215  1.1793 ?       ?         0.06   0.68   0.00   -0.00  
1 1 1 47 21 0  o 3.1145  0.6514 0.3975  180.000   -0.04  0.00   0.00   0.00   
1 1 1 47 21 1  o 7.4721  0.3750 5.9739  -43.5000  2.05   0.08   -0.15  -0.20  
1 1 1 47 21 2  o 8.2618  0.2422 9.3120  -61.1000  2.67   0.77   0.21   -0.71  
1 1 1 47 21 3  o 2.4583  1.0839 0.9625  -139.9000 0.58   0.64   0.06   -0.07  
1 1 1 47 21 4  o 2.5032  0.4458 3.5459  122.100   0.04   -0.22  -0.02  -0.03  
1 1 1 47 21 5  o 4.3002  0.2854 5.0311  24.700    2.24   -0.19  -0.23  0.68   
1 1 1 47 21 6  o 2.3643  0.4710 2.9731  29.300    -0.21  -0.14  -0.02  0.01   
1 1 1 47 21 7  o 1.0052  0.6936 0.7118  -67.3000  0.10   0.07   -0.01  0.00   
1 1 1 47 21 8  o 6.1070  0.2401 7.6917  -113.1000 0.75   -1.39  -0.31  0.18   
1 1 1 47 21 9  o 3.6953  0.3841 5.1528  -103.6000 0.04   0.05   0.00   0.00   
1 1 1 47 21 10 o 5.7706  0.3045 6.5226  46.900    -0.41  -0.13  0.03   0.02   
1 1 1 47 21 11 o 2.7817  1.1000 1.9349  147.100   -0.41  -0.41  0.03   -0.01  
1 1 1 47 21 12 o 3.2194  0.5430 3.2391  21.100    0.23   0.59   -0.00  0.05   
1 1 1 47 21 13 o 7.1449  0.5200 ?       ?         0.03   -0.63  0.00   -0.01  
1 1 1 47 21 14 o 5.0823  0.8154 ?       ?         -0.41  0.60   -0.01  -0.00  
1 1 1 47 21 15 o 4.4861  0.6040 ?       ?         -0.66  -0.23  0.00   0.01   
1 1 1 47 21 16 o 4.7436  0.7346 ?       ?         0.15   0.54   -0.00  0.00   
1 1 1 47 21 17 o 4.1835  0.9059 ?       ?         -0.75  -0.25  0.00   -0.00  
1 1 1 47 21 18 o 4.1952  1.3099 ?       ?         0.83   -0.64  0.00   0.00   
1 1 1 47 22 0  o 1.8974  0.8698 5.8024  0.0000    0.23   0.00   0.00   0.00   
1 1 1 47 22 1  o 1.9875  0.9470 1.3997  108.900   -0.01  -0.14  0.00   -0.00  
1 1 1 47 22 2  o 6.9004  0.2712 6.8210  101.400   0.08   0.78   -0.16  -0.04  
1 1 1 47 22 3  o 2.7265  0.5220 2.5957  -92.2000  0.19   0.44   0.03   0.08   
1 1 1 47 22 4  f 2.3066  0.4702 2.1487  -45.4000  -0.07  -0.10  0.00   0.01   
1 1 1 47 22 5  o 6.7786  0.2294 6.4678  126.800   0.06   0.90   -0.02  -0.12  
1 1 1 47 22 6  o 6.1787  0.2187 6.2488  -67.8000  -0.58  -1.68  -0.42  -0.45  
1 1 1 47 22 7  f 5.8331  0.2558 5.7844  -164.6000 -0.65  -0.50  -0.05  0.16   
1 1 1 47 22 8  o 1.4602  0.6988 2.3821  -18.3000  -0.17  0.12   0.02   -0.00  
1 1 1 47 22 9  o 5.1278  0.2978 5.7583  -59.6000  0.07   -0.08  -0.00  -0.00  
1 1 1 47 22 10 f 1.2676  0.7731 0.6640  12.200    0.01   0.13   0.00   0.01   
1 1 1 47 22 11 o 8.9395  0.4511 8.8722  -13.5000  0.26   -3.32  0.03   0.32   
1 1 1 47 22 12 o 2.9460  0.6773 ?       ?         -0.24  -0.02  0.00   0.00   
1 1 1 47 22 13 o 5.5484  0.4216 ?       ?         0.44   -0.35  0.01   -0.01  
1 1 1 47 22 14 o 7.7282  0.4188 ?       ?         -1.36  2.14   -0.04  -0.10  
1 1 1 47 22 15 o 2.7762  0.9720 ?       ?         0.31   -0.04  0.00   0.00   
1 1 1 47 22 16 o 2.1964  1.2099 ?       ?         0.28   0.66   -0.00  0.01   
1 1 1 47 22 17 o 0.0000  3.7417 ?       ?         0.14   -0.11  0.00   0.00   
1 1 1 47 23 0  o 6.6408  0.3905 5.6718  -0.0000   0.27   0.00   0.00   0.00   
1 1 1 47 23 1  o 2.9750  0.4992 3.5313  122.500   -0.39  -0.03  -0.01  0.02   
1 1 1 47 23 2  f 3.5896  0.5161 3.5598  23.000    -0.33  -0.79  -0.01  -0.06  
1 1 1 47 23 3  o 4.7275  0.3434 4.7904  9.9000    0.55   -1.05  -0.22  0.11   
1 1 1 47 23 4  o 6.0864  0.3521 7.3530  38.300    0.50   0.71   0.06   -0.00  
1 1 1 47 23 5  o 3.7176  0.3123 3.7024  4.9000    -0.37  0.21   -0.03  -0.01  
1 1 1 47 23 6  o 1.2530  0.7185 2.9246  -104.3000 -0.01  0.22   0.01   -0.01  
1 1 1 47 23 7  o 1.8127  0.5342 1.5132  160.600   -0.07  0.15   -0.02  -0.00  
1 1 1 47 23 8  o 2.1169  0.4963 2.5708  74.100    0.10   0.01   0.00   -0.00  
1 1 1 47 23 9  f 10.230  0.1772 10.907  35.000    1.11   0.36   -0.01  0.09   
1 1 1 47 23 10 o 1.9174  0.6733 1.4418  -119.6000 0.10   0.14   -0.00  0.01   
1 1 1 47 23 11 f 3.5358  0.5581 3.7743  -43.7000  0.19   -0.21  0.01   -0.00  
1 1 1 47 23 12 o 3.5092  0.5903 ?       ?         -0.61  0.05   0.02   -0.01  
1 1 1 47 23 13 o 3.9285  0.6384 ?       ?         -0.37  0.00   0.00   0.00   
1 1 1 47 23 14 o 1.9618  1.0084 ?       ?         -0.16  0.09   0.00   -0.00  
1 1 1 47 23 15 f 2.6192  1.1028 ?       ?         -0.20  0.34   -0.00  -0.00  
1 1 1 47 23 16 o 3.0740  1.2853 ?       ?         -0.66  0.62   0.00   -0.00  
1 1 1 47 23 17 o 3.9497  1.2826 ?       ?         -0.33  -0.88  0.00   0.00   
1 1 1 47 24 0  o 9.1159  0.3076 9.2885  180.000   -0.13  0.00   0.00   0.00   
1 1 1 47 24 1  o 6.7962  0.2514 6.9230  -91.9000  -0.24  -0.20  -0.01  0.01   
1 1 1 47 24 2  o 3.5499  0.6412 1.5036  72.400    -0.65  -0.41  0.01   -0.04  
1 1 1 47 24 3  f 8.2509  0.2743 8.4141  -51.5000  -0.97  -0.82  0.11   -0.04  
1 1 1 47 24 4  o 6.6247  0.4743 5.8630  -87.7000  2.45   -1.01  -0.30  -0.07  
1 1 1 47 24 5  o 9.3855  0.2159 8.9764  179.500   -1.61  -0.84  0.39   -0.01  
1 1 1 47 24 6  o 1.8225  0.8972 2.3255  -15.3000  -0.02  -0.02  -0.00  -0.00  
1 1 1 47 24 7  o 3.2027  0.4073 2.7567  103.800   -0.18  -0.24  0.01   0.02   
1 1 1 47 24 8  o 9.3827  0.2622 10.154  -71.5000  1.37   -0.08  -0.01  -0.11  
1 1 1 47 24 9  o 9.1257  0.1997 10.804  -18.6000  2.86   -0.83  0.59   0.21   
1 1 1 47 24 10 o 1.8207  0.9118 1.3118  177.700   0.17   0.23   0.01   0.01   
1 1 1 47 24 11 f 5.3573  0.5525 ?       ?         0.15   1.24   0.01   0.05   
1 1 1 47 24 12 o 9.3269  0.4312 ?       ?         -0.14  3.26   -0.16  0.17   
1 1 1 47 24 13 o 6.5386  0.4639 ?       ?         1.17   0.29   0.02   0.01   
1 1 1 47 24 14 o 5.4986  0.7759 ?       ?         -0.37  -0.47  -0.00  0.00   
1 1 1 47 24 15 o 4.5502  0.8348 ?       ?         -0.07  -0.38  -0.00  -0.00  
1 1 1 47 24 16 o 0.0000  3.6469 ?       ?         -0.35  0.48   0.00   0.00   
1 1 1 47 24 17 o 3.5777  1.3248 ?       ?         0.24   0.17   0.00   0.00   
1 1 1 47 25 0  o 4.1593  0.5104 3.9127  -0.0000   0.66   0.00   0.00   0.00   
1 1 1 47 25 1  o 1.4283  0.6619 2.0342  146.700   0.16   0.22   0.02   0.03   
1 1 1 47 25 2  o 4.1481  0.3749 3.4247  108.800   -0.20  0.20   -0.01  -0.01  
1 1 1 47 25 3  o 4.9457  0.3145 4.8448  -19.0000  -0.48  -0.29  0.01   0.08   
1 1 1 47 25 4  o 11.785  0.3587 12.463  160.700   0.31   -1.95  0.01   0.14   
1 1 1 47 25 5  o 3.2299  0.4734 2.5454  109.300   -0.46  -0.52  0.07   0.03   
1 1 1 47 25 6  o 5.6184  0.4422 6.0979  92.500    -0.04  0.47   0.01   -0.01  
1 1 1 47 25 7  o 5.0139  0.2780 4.5291  173.400   0.30   -0.36  -0.03  -0.02  
1 1 1 47 25 8  o 6.0529  0.5360 6.3735  125.300   1.46   2.17   -0.10  -0.19  
1 1 1 47 25 9  o 2.1411  0.5443 2.0391  -48.8000  -0.24  -0.24  -0.00  0.03   
1 1 1 47 25 10 o 8.5993  0.4127 8.8837  56.600    1.89   2.61   0.32   0.12   
1 1 1 47 25 11 o 1.0879  0.9465 ?       ?         0.02   0.21   -0.01  -0.00  
1 1 1 47 25 12 o 3.9870  0.6847 ?       ?         -0.62  -0.02  0.01   0.01   
1 1 1 47 25 13 o 3.0459  0.8474 ?       ?         0.56   0.75   0.00   0.02   
1 1 1 47 25 14 o 7.1142  0.6801 ?       ?         1.00   -1.57  -0.01  -0.00  
1 1 1 47 25 15 o 0.4472  1.2776 ?       ?         0.14   -0.08  0.00   0.00   
1 1 1 47 25 16 o 3.1464  1.3929 ?       ?         -0.09  -0.55  0.00   0.00   
1 1 1 47 26 0  o 9.6281  0.2183 9.3382  -0.0000   -0.07  0.00   0.00   0.00   
1 1 1 47 26 1  o 3.1950  0.3637 2.7379  22.100    0.69   -0.11  0.00   0.07   
1 1 1 47 26 2  f 6.1356  0.5862 4.9600  126.200   -0.78  -1.50  0.06   -0.03  
1 1 1 47 26 3  o 4.7458  0.3033 4.2645  -24.0000  0.58   -0.34  -0.05  -0.04  
1 1 1 47 26 4  o 2.3017  0.5446 1.9314  70.100    0.09   0.21   -0.02  0.01   
1 1 1 47 26 5  o 1.8186  0.6019 0.3315  151.800   0.05   -0.38  -0.05  -0.03  
1 1 1 47 26 6  o 4.4320  0.3825 5.5866  21.100    0.41   0.54   -0.04  -0.00  
1 1 1 47 26 7  o 3.1131  0.4174 3.3458  2.1000    0.17   0.04   0.00   -0.00  
1 1 1 47 26 8  o 3.6949  0.8707 3.4172  -64.6000  0.02   -1.26  -0.01  -0.07  
1 1 1 47 26 9  o 2.1476  0.6200 1.9912  65.600    -0.11  0.18   -0.01  -0.00  
1 1 1 47 26 10 o 5.6024  0.3838 ?       ?         0.67   -0.12  0.02   -0.00  
1 1 1 47 26 11 o 4.1443  0.7643 ?       ?         0.28   1.20   0.01   0.04   
1 1 1 47 26 12 o 5.0485  0.7684 ?       ?         0.48   -0.13  0.00   -0.00  
1 1 1 47 26 13 o 1.3038  1.5223 ?       ?         -0.76  0.38   0.00   0.00   
1 1 1 47 26 14 o 2.4083  1.4969 ?       ?         0.10   -0.56  0.00   0.00   
1 1 1 47 26 15 o 2.9326  1.2267 ?       ?         0.26   -0.40  0.00   0.00   
1 1 1 47 27 0  f 10.512  0.4336 8.9705  180.000   -0.59  0.00   0.00   0.00   
1 1 1 47 27 1  f 4.7837  0.5070 4.4722  -161.8000 -0.27  0.31   0.01   -0.01  
1 1 1 47 27 2  o 12.820  0.2514 13.778  56.600    -2.34  3.53   -0.66  -0.17  
1 1 1 47 27 3  o 3.8349  0.4121 2.5817  -117.3000 -0.53  0.58   -0.06  -0.03  
1 1 1 47 27 4  o 11.037  0.2737 10.054  100.900   -1.59  2.33   -0.31  0.04   
1 1 1 47 27 5  o 4.8097  0.3902 4.5067  163.300   -0.10  -1.22  -0.13  0.07   
1 1 1 47 27 6  f 5.3722  0.4990 3.6178  134.500   0.03   -0.27  -0.00  -0.00  
1 1 1 47 27 7  o 6.0150  0.5466 5.2495  10.500    -1.12  -0.28  0.04   0.00   
1 1 1 47 27 8  o 2.7082  0.6161 0.7483  43.100    0.14   0.16   -0.00  0.00   
1 1 1 47 27 9  o 1.6297  0.6598 0.1780  -73.8000  -0.01  -0.27  -0.02  -0.00  
1 1 1 47 27 10 o 4.9138  0.5389 ?       ?         0.73   -0.95  -0.04  -0.01  
1 1 1 47 27 11 o 5.9330  0.5598 ?       ?         0.55   -0.70  0.00   0.00   
1 1 1 47 27 12 o 2.8107  1.1239 ?       ?         0.32   -0.12  0.00   0.00   
1 1 1 47 27 13 o 1.9748  1.5029 ?       ?         -0.38  -0.08  0.00   0.00   
1 1 1 47 28 0  o 4.5717  0.7913 3.0294  -180.0000 -0.34  0.00   0.00   0.00   
1 1 1 47 28 1  o 3.9919  0.5631 3.9580  56.300    0.50   -0.38  0.02   -0.02  
1 1 1 47 28 2  o 4.4754  0.5669 6.1333  30.400    0.45   0.02   0.01   0.01   
1 1 1 47 28 3  o 3.2479  0.6505 4.0905  -100.7000 -0.11  -0.10  0.00   0.00   
1 1 1 47 28 4  o 4.1552  0.7378 5.1932  67.100    0.58   0.56   0.01   0.03   
1 1 1 47 28 5  o 0.0000  2.0409 ?       ?         0.17   0.04   -0.00  0.01   
1 1 1 47 28 6  o 8.0255  0.7745 6.6122  140.100   -1.43  1.11   0.05   0.00   
1 1 1 47 28 7  o 5.0249  1.4456 3.3498  24.900    1.41   -0.30  0.02   0.03   
1 1 1 47 28 8  o 3.7038  0.5628 2.7095  133.300   0.27   0.39   0.00   0.01   
1 1 1 47 28 9  o 5.2194  2.2365 ?       ?         -0.73  0.16   -0.01  -0.01  
1 1 1 47 28 10 o 1.7889  1.0596 ?       ?         -0.16  -0.07  0.00   0.00   
1 1 1 47 28 11 o 2.0494  0.9746 ?       ?         0.05   -0.39  0.00   0.00   
1 1 1 47 28 12 o 6.5192  0.7702 ?       ?         -1.72  0.25   0.00   0.00   
1 1 1 47 29 0  o 4.6152  0.7938 5.3154  0.0000    -0.22  0.00   0.00   0.00   
1 1 1 47 29 1  o 1.4908  1.1418 0.8227  67.200    -0.09  -0.17  -0.00  0.00   
1 1 1 47 29 2  o 6.7733  0.4640 6.6527  -28.2000  -0.21  -1.19  -0.06  -0.00  
1 1 1 47 29 3  o 4.1623  0.9862 2.1803  111.300   -0.18  0.63   -0.01  0.02   
1 1 1 47 29 4  o 7.7903  0.4357 6.9701  -172.2000 -0.49  -1.45  -0.04  0.06   
1 1 1 47 29 5  o 3.8517  0.7220 1.3382  63.900    0.37   0.12   0.00   0.00   
1 1 1 47 29 6  f 3.8174  0.9569 3.6580  -60.4000  0.41   -0.11  0.00   0.00   
1 1 1 47 29 7  o 7.3612  0.6944 7.1922  24.900    0.59   0.60   0.00   0.01   
1 1 1 47 29 8  o 3.5544  1.0009 ?       ?         0.12   -0.23  -0.00  -0.00  
1 1 1 47 29 9  o 3.7870  1.7865 ?       ?         -0.16  -0.80  -0.01  -0.02  
1 1 1 47 29 10 o 4.5166  0.8216 ?       ?         -0.59  0.56   0.00   0.00   
1 1 1 47 30 0  o 3.6194  1.0541 2.0226  0.0000    0.21   0.00   0.00   0.00   
1 1 1 47 30 1  o 4.7962  1.0204 3.6650  104.600   -0.31  -0.13  0.00   -0.00  
1 1 1 47 30 2  o 4.7891  0.6962 5.6060  -19.3000  0.44   -0.18  -0.00  -0.01  
1 1 1 47 30 3  o 6.2881  0.5489 5.8026  51.100    0.82   0.53   0.02   0.00   
1 1 1 47 30 4  o 4.5614  0.8116 4.0933  47.400    0.83   0.07   0.01   0.01   
1 1 1 47 30 5  o 5.2202  0.9452 4.1626  -54.0000  1.28   0.23   0.00   0.03   
1 1 1 47 30 6  o 9.4223  0.5318 9.7521  -70.4000  1.31   -2.61  -0.07  -0.07  
1 1 1 47 30 7  o 5.2264  0.7976 ?       ?         0.11   -0.03  0.00   0.00   
1 1 1 47 30 8  o 4.2686  0.9432 ?       ?         -0.50  0.88   -0.01  -0.01  
1 1 1 47 30 9  o 6.9717  1.0664 ?       ?         -1.38  -0.71  -0.01  0.00   
1 1 1 47 31 0  o 4.2308  0.9839 2.8488  -180.0000 -0.36  0.00   0.00   0.00   
1 1 1 47 31 1  o 0.0000  2.4949 ?       ?         0.08   -0.36  -0.01  -0.00  
1 1 1 47 31 2  o 5.8144  0.7818 4.9784  -33.7000  0.75   -1.35  0.01   -0.02  
1 1 1 47 31 3  o 3.7401  1.0198 3.9780  1.3000    0.70   -0.36  0.01   -0.01  
1 1 1 47 31 4  f 4.1026  0.9276 3.7759  -72.5000  0.30   -0.57  -0.00  -0.01  
1 1 1 47 31 5  o 4.8362  0.8778 4.9835  179.900   -0.03  0.60   -0.00  -0.00  
1 1 1 47 31 6  o 6.4100  0.7691 ?       ?         -0.29  -0.67  0.00   0.00   
1 1 1 47 31 7  o 2.9673  1.4989 ?       ?         -0.06  -0.10  -0.00  0.00   
1 1 1 47 31 8  o 8.1577  0.8878 ?       ?         0.74   -0.35  -0.00  -0.00  
1 1 1 47 32 0  o 0.0000  3.3912 1.1501  -180.0000 0.23   0.00   0.00   0.00   
1 1 1 47 32 1  o 0.0000  2.6360 ?       ?         -0.37  0.02   0.01   -0.01  
1 1 1 47 32 2  o 3.9554  0.9229 1.7530  141.400   -0.09  0.54   -0.00  -0.00  
1 1 1 47 32 3  o 2.9502  1.4241 2.1575  64.200    -0.37  -0.49  -0.01  0.01   
1 1 1 47 32 4  o 4.7528  1.6807 3.3093  -43.2000  -0.91  -0.91  -0.03  0.00   
1 1 1 47 32 5  o 4.5440  2.0789 ?       ?         -0.91  0.44   0.01   0.00   
1 1 1 47 32 6  o 4.3394  1.2648 ?       ?         0.37   -0.38  0.00   -0.00  
1 1 1 47 32 7  o 3.9885  1.1676 ?       ?         -0.78  -0.29  0.00   0.00   
1 1 1 47 33 0  o 1.6125  1.6340 0.4174  180.000   0.23   0.00   0.00   0.00   
1 1 1 47 33 1  o 3.0810  0.9798 2.7655  95.100    0.36   0.03   0.00   0.00   
1 1 1 47 33 2  o 2.7235  1.0723 ?       ?         0.27   -0.38  0.00   -0.01  
1 1 1 47 33 3  o 2.3335  1.1777 ?       ?         -0.12  -0.61  -0.01  0.00   
1 1 1 47 33 4  o 7.1459  1.4070 ?       ?         -0.13  -0.63  -0.00  -0.00  
1 1 1 47 33 5  o 0.9207  1.4684 ?       ?         -0.29  -0.11  0.00   0.00   
1 1 1 47 33 6  o 6.9138  1.5639 ?       ?         -0.62  -0.03  0.00   0.00   
1 1 1 47 34 0  o 5.4955  1.0584 ?       ?         0.05   0.00   0.00   0.00   
1 1 1 47 34 1  o 4.3973  1.0373 ?       ?         0.05   0.20   -0.00  0.00   
1 1 1 47 34 2  o 2.1105  1.4860 ?       ?         -0.29  0.14   0.00   -0.00  
1 1 1 47 34 3  o 3.0855  1.4440 ?       ?         0.55   -0.41  0.01   -0.00  
1 1 1 47 34 4  o 7.9179  0.7345 ?       ?         -1.92  -0.01  0.01   -0.00  
1 1 1 47 35 0  f 6.9138  1.2292 ?       ?         0.58   0.00   0.00   0.00   
1 1 1 47 35 1  f 5.6073  1.0333 ?       ?         -0.20  0.15   0.00   0.00   
1 1 1 48 0  0  o 4.6797  0.5594 7.2986  -0.0000   0.16   0.00   0.00   0.00   
1 1 1 48 0  1  o 3.6878  0.4871 4.6909  135.000   0.03   -0.03  0.00   0.00   
1 1 1 48 0  2  o 5.6921  0.3626 5.5792  -90.0000  -0.00  -0.06  0.00   0.00   
1 1 1 48 0  3  o 10.564  0.2766 12.099  -135.0000 -0.28  -0.28  0.00   0.00   
1 1 1 48 0  4  o 2.5495  0.6652 5.3321  -180.0000 0.03   0.00   0.00   0.00   
1 1 1 48 0  5  o 4.8477  0.4425 4.3102  -45.0000  0.11   -0.11  0.00   0.00   
1 1 1 48 0  6  f 0.0000  2.1448 2.9606  -90.0000  -0.00  -0.03  0.00   0.00   
1 1 1 48 0  7  o 4.7854  0.4473 4.2170  45.000    0.26   0.26   0.00   0.00   
1 1 1 48 0  8  o 4.2308  0.4753 6.7941  0.0000    -0.16  0.00   0.00   0.00   
1 1 1 48 0  9  o 4.4833  0.5346 4.1168  135.000   -0.05  0.05   0.00   0.00   
1 1 1 48 0  10 f 4.6583  0.5358 6.3451  -90.0000  0.00   0.21   0.00   0.00   
1 1 1 48 0  11 o 7.9812  0.3421 7.8830  45.000    0.14   0.14   0.00   0.00   
1 1 1 48 0  12 o 7.7266  0.3760 6.5383  -180.0000 -0.40  0.00   0.00   0.00   
1 1 1 48 0  13 o 2.6833  0.8235 0.3023  -45.0000  -0.08  0.08   0.00   0.00   
1 1 1 48 0  14 o 2.7386  0.8353 1.0640  -90.0000  0.00   0.09   0.00   0.00   
1 1 1 48 0  15 o 4.2308  0.6401 ?       ?         -0.10  -0.10  0.00   0.00   
1 1 1 48 0  16 o 0.0000  2.5690 ?       ?         -0.03  0.00   0.00   0.00   
1 1 1 48 0  17 o 4.7854  0.6399 ?       ?         -0.12  0.12   0.00   0.00   
1 1 1 48 0  18 o 5.4772  0.6415 ?       ?         0.00   0.79   0.00   0.00   
1 1 1 48 0  19 o 0.0000  2.8461 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 48 0  20 o 1.8166  1.6454 ?       ?         0.35   0.00   0.00   0.00   
1 1 1 48 1  0  o 0.0000  1.9748 0.0704  180.000   -0.02  0.00   0.00   0.00   
1 1 1 48 1  1  o 7.5391  0.2805 7.6862  25.500    0.46   0.57   0.03   -0.04  
1 1 1 48 1  2  o 4.8985  0.2796 3.8766  -144.0000 0.57   -0.54  -0.81  -0.43  
1 1 1 48 1  3  o 11.508  0.1601 11.134  -39.5000  -0.40  0.20   -0.05  -0.03  
1 1 1 48 1  4  o 7.2239  0.2329 5.6032  -97.5000  -1.56  -0.70  -0.80  0.17   
1 1 1 48 1  5  f 0.0000  1.5240 ?       ?         0.05   -0.04  -0.01  -0.02  
1 1 1 48 1  6  o 2.6651  0.5160 1.5380  -50.5000  0.13   -0.15  -0.02  0.01   
1 1 1 48 1  7  o 5.5976  0.2681 4.6979  -83.1000  -0.22  -0.17  0.05   0.02   
1 1 1 48 1  8  o 2.8915  0.6390 1.5449  8.5000    0.03   -0.63  0.04   -0.02  
1 1 1 48 1  9  o 5.6953  0.6036 4.6319  22.100    2.17   0.91   -0.21  -0.05  
1 1 1 48 1  10 o 1.4944  0.7501 1.2485  11.400    0.25   0.23   -0.04  0.08   
1 1 1 48 1  11 o 2.5316  0.5996 3.0860  29.300    0.06   0.18   0.00   0.01   
1 1 1 48 1  12 o 2.4481  0.6454 1.1280  -89.0000  0.24   0.00   0.02   0.01   
1 1 1 48 1  13 o 4.6038  0.4143 3.2267  -35.6000  -0.40  -0.22  -0.01  0.03   
1 1 1 48 1  14 o 3.7197  0.4965 5.0426  -54.1000  -0.35  -0.41  -0.02  0.03   
1 1 1 48 1  15 o 8.8406  0.2695 ?       ?         1.75   -0.12  0.17   -0.06  
1 1 1 48 1  16 o 5.5835  0.4255 ?       ?         0.80   1.44   -0.16  0.04   
1 1 1 48 1  17 o 6.5579  0.3488 ?       ?         1.78   -0.79  0.15   0.01   
1 1 1 48 1  18 o 3.2359  0.6659 ?       ?         0.17   -0.48  -0.02  -0.00  
1 1 1 48 1  19 o 0.7379  1.0002 ?       ?         0.04   -0.02  0.00   -0.00  
1 1 1 48 2  0  o 15.411  0.1986 17.290  -0.0000   0.45   0.00   0.00   0.00   
1 1 1 48 2  1  o 2.4091  0.4775 3.6838  6.2000    -0.35  0.16   -0.07  0.00   
1 1 1 48 2  2  o 13.852  0.1436 12.636  162.700   -1.00  -0.88  0.38   -0.20  
1 1 1 48 2  3  o 3.5266  1.3269 3.7680  44.100    0.42   -0.59  0.01   0.01   
1 1 1 48 2  4  o 7.3041  0.2329 6.2524  43.700    0.19   -0.21  -0.03  -0.08  
1 1 1 48 2  5  o 9.4766  0.1947 9.2880  -99.1000  -0.88  -1.56  -1.12  -0.24  
1 1 1 48 2  6  o 9.7590  0.2833 9.0574  -121.2000 0.62   -1.07  0.14   0.03   
1 1 1 48 2  7  o 4.4363  0.3094 2.1565  -166.6000 -0.89  -0.91  0.18   -0.17  
1 1 1 48 2  8  o 9.0702  0.2689 8.6302  73.700    4.34   0.85   -1.45  0.87   
1 1 1 48 2  9  o 8.0957  0.2860 7.4108  155.700   -0.58  2.00   0.34   -0.17  
1 1 1 48 2  10 o 8.4778  0.2341 7.8944  -151.9000 -0.05  -0.73  -0.03  -0.08  
1 1 1 48 2  11 o 10.675  0.2133 9.2187  -148.2000 -0.55  -1.38  -0.27  0.27   
1 1 1 48 2  12 f 5.5153  0.3657 6.6407  -103.0000 -1.72  0.13   0.02   0.31   
1 1 1 48 2  13 o 2.4969  0.5991 1.9837  118.900   0.07   0.15   0.00   0.01   
1 1 1 48 2  14 o 3.1145  0.5836 2.6144  -59.1000  -0.01  0.16   -0.00  -0.00  
1 1 1 48 2  15 o 3.8172  0.5090 ?       ?         0.89   -0.38  0.03   -0.08  
1 1 1 48 2  16 o 2.6877  0.6924 ?       ?         0.12   -0.57  -0.01  -0.04  
1 1 1 48 2  17 o 5.8521  0.4918 ?       ?         1.96   0.33   -0.00  0.13   
1 1 1 48 2  18 f 3.4877  0.6242 ?       ?         0.18   0.03   0.00   0.00   
1 1 1 48 2  19 o 3.5646  0.9186 ?       ?         0.38   -0.52  -0.01  -0.00  
1 1 1 48 3  0  o 16.541  0.1942 14.016  -180.0000 -1.44  0.00   0.00   0.00   
1 1 1 48 3  1  f 6.9808  0.5186 7.1754  -112.9000 -0.59  -4.95  0.63   -0.34  
1 1 1 48 3  2  o 7.4635  0.2081 6.3255  -61.9000  -0.02  -0.42  -0.07  -0.13  
1 1 1 48 3  3  o 14.656  0.1417 14.007  168.500   -0.62  -0.39  0.21   0.15   
1 1 1 48 3  4  o 13.060  0.1495 12.869  50.700    1.12   0.56   -0.29  0.66   
1 1 1 48 3  5  o 4.7687  0.4418 4.8124  45.700    -1.08  -0.40  -0.12  -0.01  
1 1 1 48 3  6  o 4.5884  0.3351 3.2292  5.7000    0.13   0.18   -0.00  0.05   
1 1 1 48 3  7  o 7.0549  0.2220 7.2461  93.500    0.25   -0.29  0.06   -0.02  
1 1 1 48 3  8  o 2.3359  0.5085 4.7188  99.100    0.13   0.21   0.03   0.03   
1 1 1 48 3  9  o 7.2729  0.4729 6.6171  -92.7000  -1.94  -2.02  0.22   -0.26  
1 1 1 48 3  10 o 7.9334  0.2512 6.4849  160.500   -0.42  0.45   0.05   0.00   
1 1 1 48 3  11 o 3.5515  0.4945 2.9981  50.500    0.14   0.40   -0.00  0.05   
1 1 1 48 3  12 f 3.9760  0.5178 3.7594  -55.3000  0.59   0.40   0.03   -0.03  
1 1 1 48 3  13 o 3.9671  0.4494 3.6239  165.200   0.03   0.21   -0.00  0.01   
1 1 1 48 3  14 o 1.6654  0.8450 1.7648  -160.0000 0.32   -0.19  -0.03  -0.01  
1 1 1 48 3  15 o 8.0915  0.2964 ?       ?         -0.49  -0.71  0.03   0.02   
1 1 1 48 3  16 o 4.4855  0.4662 ?       ?         -0.68  -1.13  -0.06  0.07   
1 1 1 48 3  17 o 6.4886  0.5865 ?       ?         -0.54  0.42   0.01   0.00   
1 1 1 48 3  18 o 0.0000  1.8740 ?       ?         0.16   -0.06  0.00   -0.00  
1 1 1 48 3  19 o 5.3617  0.5770 ?       ?         -1.07  -0.58  -0.00  0.01   
1 1 1 48 4  0  o 3.7417  0.4713 0.0985  -180.0000 -0.29  0.00   0.00   0.00   
1 1 1 48 4  1  o 12.904  0.1459 13.305  128.500   -0.78  -0.14  0.16   -0.26  
1 1 1 48 4  2  o 7.3121  0.2079 7.2401  -2.8000   -0.03  0.33   -0.06  -0.10  
1 1 1 48 4  3  o 8.3012  0.1906 8.1983  20.000    -0.58  -0.00  0.07   0.23   
1 1 1 48 4  4  o 14.485  0.1470 14.382  81.700    -0.30  1.20   -0.45  0.33   
1 1 1 48 4  5  o 3.7100  0.3801 3.8000  99.100    -0.05  0.49   0.05   -0.07  
1 1 1 48 4  6  o 3.7097  0.4104 4.4217  -9.0000   0.33   -0.17  -0.02  0.00   
1 1 1 48 4  7  o 8.6912  0.1922 8.0699  -69.5000  -0.35  -0.14  0.01   -0.02  
1 1 1 48 4  8  o 8.1145  0.2124 8.8614  87.800    0.57   1.06   -0.07  0.63   
1 1 1 48 4  9  o 3.7906  0.4344 5.4657  -63.7000  0.36   -0.10  -0.02  -0.01  
1 1 1 48 4  10 o 7.7649  0.2517 7.9887  -16.1000  -0.11  0.38   -0.02  -0.04  
1 1 1 48 4  11 o 5.0941  0.3751 4.5300  38.900    0.15   0.46   -0.00  0.05   
1 1 1 48 4  12 o 6.3731  0.3137 5.7037  -124.6000 0.39   -0.19  0.00   -0.04  
1 1 1 48 4  13 o 7.6887  0.3096 7.8102  153.600   0.89   0.20   0.03   -0.05  
1 1 1 48 4  14 o 2.1492  1.0352 1.5072  -59.6000  0.07   -0.01  -0.00  -0.00  
1 1 1 48 4  15 o 2.5356  0.6678 ?       ?         -0.19  -0.17  -0.01  0.01   
1 1 1 48 4  16 o 5.5218  0.5310 ?       ?         0.29   0.30   0.01   0.00   
1 1 1 48 4  17 o 5.3607  0.4546 ?       ?         -1.16  0.17   0.01   -0.05  
1 1 1 48 4  18 o 2.3809  1.1041 ?       ?         -0.11  -0.16  0.00   0.00   
1 1 1 48 4  19 o 4.7853  0.4861 ?       ?         -0.43  -0.30  -0.00  0.00   
1 1 1 48 5  0  o 14.014  0.2005 11.122  0.0000    0.62   0.00   0.00   0.00   
1 1 1 48 5  1  o 1.9981  0.5426 0.6759  137.800   0.06   -0.08  0.01   -0.00  
1 1 1 48 5  2  o 10.812  0.1556 9.1312  -142.6000 0.03   -0.40  -0.09  0.08   
1 1 1 48 5  3  o 6.8876  0.4608 7.6371  -13.1000  -1.24  -2.25  0.06   -0.26  
1 1 1 48 5  4  o 18.669  0.6678 14.180  31.800    3.78   -0.26  -0.18  0.29   
1 1 1 48 5  5  o 5.6605  0.2817 4.3905  -151.7000 -0.11  -0.09  0.01   0.00   
1 1 1 48 5  6  o 9.2151  0.1944 8.8295  90.900    -0.26  0.37   -0.08  -0.02  
1 1 1 48 5  7  o 3.3511  1.4724 1.2362  -60.9000  -0.91  0.89   -0.02  0.06   
1 1 1 48 5  8  o 6.6491  0.2566 5.5729  85.200    0.21   1.81   0.02   -0.64  
1 1 1 48 5  9  f 7.2790  0.2538 6.6904  117.500   0.13   0.43   -0.01  0.07   
1 1 1 48 5  10 o 7.3495  0.2648 7.2781  -143.9000 0.33   -0.16  0.03   -0.02  
1 1 1 48 5  11 o 7.6779  0.2777 7.4986  -125.6000 -0.65  -0.56  -0.00  0.16   
1 1 1 48 5  12 f 3.0815  0.5530 3.0658  -30.7000  0.28   0.16   0.02   0.00   
1 1 1 48 5  13 f 9.9803  0.2943 10.020  114.800   -1.07  1.39   -0.17  0.02   
1 1 1 48 5  14 o 2.8632  0.6094 3.0679  -122.5000 0.06   -0.15  0.00   -0.00  
1 1 1 48 5  15 o 7.6051  0.3350 ?       ?         0.05   2.37   -0.11  -0.23  
1 1 1 48 5  16 o 4.2929  0.5634 ?       ?         -0.25  -1.24  -0.04  -0.05  
1 1 1 48 5  17 o 3.8589  0.8996 ?       ?         -0.52  -0.21  -0.01  0.01   
1 1 1 48 5  18 o 4.1967  0.5414 ?       ?         -0.13  -0.43  -0.01  0.00   
1 1 1 48 5  19 o 2.7734  1.2106 ?       ?         -0.34  -0.28  -0.00  0.01   
1 1 1 48 6  0  o 6.4730  0.3093 5.2902  180.000   -0.24  0.00   0.00   0.00   
1 1 1 48 6  1  o 4.6682  0.2918 5.4086  -69.4000  -0.38  -0.30  -0.11  -0.03  
1 1 1 48 6  2  o 9.6179  0.1815 8.3608  -14.5000  -0.30  0.15   -0.03  -0.01  
1 1 1 48 6  3  o 8.5363  0.2000 6.6952  84.200    1.89   -0.22  -0.29  0.48   
1 1 1 48 6  4  o 4.8974  0.4460 3.0245  127.400   -0.99  0.03   -0.06  0.04   
1 1 1 48 6  5  o 16.288  0.1481 15.296  103.200   0.60   1.99   -0.91  0.40   
1 1 1 48 6  6  o 5.7328  0.2823 4.7869  -112.8000 -0.12  -0.05  -0.00  0.00   
1 1 1 48 6  7  o 2.5791  0.4819 2.9647  -124.4000 0.36   -0.38  -0.05  0.05   
1 1 1 48 6  8  o 7.3582  0.2135 7.3244  -1.2000   1.47   0.54   0.49   -0.52  
1 1 1 48 6  9  o 7.9517  0.2376 7.9508  -153.2000 0.76   0.35   0.05   -0.08  
1 1 1 48 6  10 o 2.6759  0.5816 2.5471  -17.1000  0.08   -0.25  -0.01  0.02   
1 1 1 48 6  11 o 3.6603  0.4696 3.7019  -40.2000  0.09   -0.17  0.00   -0.01  
1 1 1 48 6  12 o 8.0358  0.2744 8.1647  90.800    0.88   0.77   0.08   0.19   
1 1 1 48 6  13 o 3.9048  0.4757 5.1828  73.400    -0.13  -0.19  0.01   0.01   
1 1 1 48 6  14 f 9.2202  0.4705 10.025  86.100    0.13   3.77   0.18   0.42   
1 1 1 48 6  15 o 5.4776  0.4361 ?       ?         0.37   0.57   -0.02  -0.01  
1 1 1 48 6  16 o 7.1036  0.3258 ?       ?         0.11   1.72   -0.06  0.09   
1 1 1 48 6  17 o 6.3659  0.6636 ?       ?         0.26   -1.26  0.00   -0.03  
1 1 1 48 6  18 o 3.3561  0.5638 ?       ?         -0.15  0.82   -0.03  -0.01  
1 1 1 48 6  19 o 2.1107  0.7921 ?       ?         0.24   0.39   -0.01  0.01   
1 1 1 48 7  0  o 3.0000  0.5776 2.5079  0.0000    0.13   0.00   0.00   0.00   
1 1 1 48 7  1  o 14.926  0.1405 14.764  169.900   -2.09  1.66   1.40   0.53   
1 1 1 48 7  2  o 6.6663  0.2317 8.0504  39.000    -1.32  1.92   -0.40  0.90   
1 1 1 48 7  3  o 3.2666  0.4028 3.1182  -49.8000  0.38   0.11   0.01   -0.07  
1 1 1 48 7  4  o 8.5812  0.1984 9.2232  -51.7000  -0.13  0.16   0.01   -0.00  
1 1 1 48 7  5  o 7.3222  0.2325 6.9016  74.200    1.37   0.60   -0.37  0.07   
1 1 1 48 7  6  o 3.4439  0.4153 2.7105  -91.2000  -0.11  -0.55  0.04   0.02   
1 1 1 48 7  7  o 11.230  0.1548 11.588  -170.7000 -2.11  -0.33  0.84   -0.79  
1 1 1 48 7  8  o 8.2889  0.3261 7.6497  -58.9000  1.53   0.20   -0.14  0.08   
1 1 1 48 7  9  o 1.8689  0.8856 1.2491  -179.3000 -0.46  -0.38  -0.11  -0.04  
1 1 1 48 7  10 o 8.7308  0.6811 8.2671  41.300    5.00   2.35   -0.06  -0.65  
1 1 1 48 7  11 o 6.9075  0.3037 6.6456  -126.9000 0.20   -1.00  -0.05  0.10   
1 1 1 48 7  12 o 3.7007  0.5024 3.2814  122.200   -0.49  -0.69  0.08   0.02   
1 1 1 48 7  13 o 2.9110  0.5846 2.7239  -87.1000  0.29   -0.38  -0.04  -0.03  
1 1 1 48 7  14 o 4.6732  0.5862 4.3159  97.200    0.35   0.46   -0.01  -0.01  
1 1 1 48 7  15 o 5.5748  0.4019 ?       ?         0.20   0.16   0.00   0.00   
1 1 1 48 7  16 f 3.4229  0.5633 ?       ?         0.29   0.13   0.00   0.01   
1 1 1 48 7  17 o 4.9623  1.0640 ?       ?         0.87   0.41   -0.02  0.01   
1 1 1 48 7  18 o 1.5332  0.8763 ?       ?         0.05   0.41   -0.01  0.01   
1 1 1 48 7  19 o 4.2697  0.9713 ?       ?         0.90   1.28   0.03   0.03   
1 1 1 48 8  0  o 16.297  0.2090 15.157  -0.0000   1.66   0.00   0.00   0.00   
1 1 1 48 8  1  o 3.5532  0.6633 1.6785  -179.9000 -1.92  -1.98  -0.10  -0.38  
1 1 1 48 8  2  o 16.136  0.2599 14.152  58.400    0.91   -0.14  -0.02  0.05   
1 1 1 48 8  3  o 6.7639  0.2259 7.3158  -28.1000  0.33   -0.17  0.12   -0.13  
1 1 1 48 8  4  o 7.0689  0.2355 6.5298  110.300   0.31   -0.27  -0.07  -0.04  
1 1 1 48 8  5  o 6.5187  0.2589 6.2561  159.500   -1.47  -0.09  -0.16  -0.38  
1 1 1 48 8  6  o 7.5598  0.2321 6.7985  -110.6000 -0.50  -0.27  0.09   0.15   
1 1 1 48 8  7  o 8.3870  0.2026 7.9876  -42.2000  0.73   0.34   0.25   0.09   
1 1 1 48 8  8  o 1.9437  0.9066 2.2149  -135.3000 -0.65  0.25   -0.02  0.08   
1 1 1 48 8  9  o 5.0100  0.3615 5.3947  13.000    0.47   0.46   -0.04  -0.02  
1 1 1 48 8  10 o 12.183  0.1894 12.123  106.300   -0.64  0.88   -0.12  -0.00  
1 1 1 48 8  11 o 6.9599  0.3310 7.5538  -10.0000  0.84   0.17   0.01   -0.06  
1 1 1 48 8  12 o 1.8968  0.9254 2.7724  50.800    -0.27  0.08   -0.01  -0.01  
1 1 1 48 8  13 f 6.9777  0.3427 6.1170  -100.1000 -0.69  -1.34  -0.13  -0.10  
1 1 1 48 8  14 o 6.7018  0.3379 7.5614  -125.8000 0.11   -0.87  -0.02  0.04   
1 1 1 48 8  15 o 1.8714  0.9011 ?       ?         0.12   0.10   -0.00  0.00   
1 1 1 48 8  16 o 6.6734  0.8099 ?       ?         0.84   1.65   -0.05  -0.04  
1 1 1 48 8  17 o 1.2228  0.8540 ?       ?         -0.08  -0.06  -0.00  0.00   
1 1 1 48 8  18 o 2.4445  0.7529 ?       ?         0.05   0.16   -0.00  0.00   
1 1 1 48 8  19 o 4.3648  1.0606 ?       ?         -0.01  0.53   -0.00  0.00   
1 1 1 48 9  0  o 7.5829  0.2735 7.7175  -0.0000   0.51   0.00   0.00   0.00   
1 1 1 48 9  1  o 7.6705  0.3453 8.0914  -164.3000 -2.88  1.71   -0.03  0.66   
1 1 1 48 9  2  o 5.7837  0.2542 4.8118  8.8000    -0.02  -0.82  0.08   -0.06  
1 1 1 48 9  3  f 5.5182  0.2660 3.6226  122.500   -0.43  0.47   -0.00  -0.39  
1 1 1 48 9  4  o 2.5194  0.6563 1.9951  102.200   -0.82  0.23   -0.05  0.10   
1 1 1 48 9  5  o 6.5684  0.3435 5.7442  -46.4000  1.19   0.38   -0.03  -0.11  
1 1 1 48 9  6  o 9.8461  0.4484 10.420  -167.6000 -3.28  1.51   -0.06  0.43   
1 1 1 48 9  7  o 4.3901  0.3979 5.0555  -135.5000 -0.65  0.83   0.09   0.06   
1 1 1 48 9  8  o 9.9949  0.1845 9.7083  -147.1000 -0.91  -0.43  -0.09  0.25   
1 1 1 48 9  9  o 3.9930  0.4261 3.9966  99.800    -0.21  -0.04  -0.00  -0.01  
1 1 1 48 9  10 o 3.5637  0.4744 2.9776  -118.5000 0.49   0.55   -0.09  -0.01  
1 1 1 48 9  11 o 6.2930  0.3150 6.4500  4.7000    -0.00  0.10   -0.00  0.00   
1 1 1 48 9  12 o 5.9433  0.4119 5.6392  -115.0000 -0.72  -0.50  0.04   -0.03  
1 1 1 48 9  13 o 2.4530  0.6237 3.0202  -74.5000  0.14   -0.04  0.00   -0.00  
1 1 1 48 9  14 o 2.5093  0.6703 2.7705  -134.0000 -0.23  0.11   0.01   -0.00  
1 1 1 48 9  15 o 4.6530  0.4435 ?       ?         0.43   0.18   0.02   0.00   
1 1 1 48 9  16 o 8.1037  0.3647 ?       ?         -0.45  2.69   -0.08  -0.18  
1 1 1 48 9  17 o 1.4398  0.8362 ?       ?         0.29   -0.24  0.01   -0.01  
1 1 1 48 9  18 o 3.2433  0.6073 ?       ?         0.37   -0.35  -0.01  -0.01  
1 1 1 48 9  19 o 3.2656  1.2114 ?       ?         -0.13  0.13   0.00   -0.00  
1 1 1 48 10 0  o 22.188  0.2143 19.968  0.0000    1.43   0.00   0.00   0.00   
1 1 1 48 10 1  o 5.2080  0.2772 3.4431  2.3000    0.26   0.37   -0.07  -0.06  
1 1 1 48 10 2  o 4.9603  0.2924 5.8301  68.500    0.48   0.04   -0.04  0.07   
1 1 1 48 10 3  o 2.6195  0.4868 2.9671  67.300    0.16   -0.39  0.06   -0.01  
1 1 1 48 10 4  o 3.3732  0.4160 1.2827  -99.5000  -0.01  -0.17  -0.01  -0.02  
1 1 1 48 10 5  o 5.7386  0.2733 6.7447  -42.0000  0.69   -0.83  -0.56  -0.40  
1 1 1 48 10 6  o 6.2721  0.2579 6.1553  6.0000    0.39   -0.51  -0.05  0.05   
1 1 1 48 10 7  o 2.6251  0.4722 3.5388  -78.3000  -0.08  0.04   -0.00  -0.01  
1 1 1 48 10 8  o 3.4130  0.4650 4.3959  145.500   -0.08  -0.49  0.02   0.01   
1 1 1 48 10 9  o 9.0731  0.2432 7.9266  75.900    -1.55  0.62   -0.21  -0.16  
1 1 1 48 10 10 o 4.8447  0.3752 4.8730  -52.9000  0.69   -0.26  0.08   -0.13  
1 1 1 48 10 11 o 6.3611  0.6406 6.4855  104.200   -1.69  1.12   -0.12  0.05   
1 1 1 48 10 12 o 5.9818  0.3546 5.8458  -92.5000  -1.85  -1.82  0.53   -0.11  
1 1 1 48 10 13 o 4.1058  0.4724 4.1853  138.700   -0.22  0.72   -0.05  -0.05  
1 1 1 48 10 14 o 5.6598  0.4215 6.1397  116.700   -1.51  -0.52  0.09   -0.12  
1 1 1 48 10 15 o 3.5474  0.9374 ?       ?         0.32   -0.26  0.01   0.00   
1 1 1 48 10 16 o 7.8093  0.3228 ?       ?         0.80   -0.68  -0.01  -0.04  
1 1 1 48 10 17 o 3.7409  0.5678 ?       ?         0.37   -0.26  0.00   -0.01  
1 1 1 48 10 18 o 2.2220  0.8872 ?       ?         0.36   0.04   0.01   0.00   
1 1 1 48 10 19 f 1.6536  1.1069 ?       ?         -0.13  -0.48  -0.01  0.00   
1 1 1 48 11 0  o 2.6833  0.5970 3.1036  -0.0000   -0.17  0.00   0.00   0.00   
1 1 1 48 11 1  o 3.0413  0.4066 2.6566  39.600    0.41   -0.28  0.15   0.05   
1 1 1 48 11 2  o 5.1569  0.3393 5.8613  -23.0000  -0.36  -0.19  0.00   -0.02  
1 1 1 48 11 3  o 2.8112  0.4247 2.2998  55.400    -0.22  -0.05  0.07   0.01   
1 1 1 48 11 4  o 7.0854  0.2187 6.6871  64.400    0.21   -0.67  -0.28  -0.15  
1 1 1 48 11 5  o 4.4252  0.6053 3.7667  -148.9000 -2.38  1.01   -0.09  0.30   
1 1 1 48 11 6  o 6.4735  0.2478 6.6245  19.400    0.15   -0.51  0.03   -0.09  
1 1 1 48 11 7  o 4.1126  0.6581 3.9298  -173.9000 0.68   1.68   0.14   -0.04  
1 1 1 48 11 8  o 13.735  0.1496 12.818  -61.0000  0.74   -2.59  -0.55  -1.43  
1 1 1 48 11 9  o 8.8549  0.2372 8.8344  28.800    -0.34  1.59   -0.04  -0.42  
1 1 1 48 11 10 o 4.7714  0.7415 5.7094  -7.8000   0.01   -0.00  -0.00  0.00   
1 1 1 48 11 11 o 5.2614  0.3535 4.4463  84.500    -0.05  1.06   -0.12  0.16   
1 1 1 48 11 12 o 3.0389  0.5836 3.1558  9.5000    0.42   0.03   -0.01  0.02   
1 1 1 48 11 13 o 4.3237  0.4503 4.0996  -121.4000 0.08   0.18   -0.00  0.00   
1 1 1 48 11 14 o 6.6323  0.3361 ?       ?         0.32   -0.01  0.01   0.00   
1 1 1 48 11 15 o 7.8703  0.3065 ?       ?         0.16   -0.27  -0.00  -0.00  
1 1 1 48 11 16 o 10.278  0.2801 ?       ?         -0.06  3.09   -0.23  -0.06  
1 1 1 48 11 17 o 2.7730  0.7522 ?       ?         -0.07  -0.11  -0.00  0.00   
1 1 1 48 11 18 o 5.8113  0.4983 ?       ?         -0.23  1.64   -0.02  -0.02  
1 1 1 48 11 19 f 4.0851  0.7801 ?       ?         -0.71  -0.19  -0.00  0.00   
1 1 1 48 12 0  o 2.7019  0.6185 2.3531  -0.0000   -0.08  0.00   0.00   0.00   
1 1 1 48 12 1  o 8.9205  0.3133 9.2152  -171.1000 -2.06  -2.41  0.55   -0.46  
1 1 1 48 12 2  o 5.8616  0.2520 6.6868  175.500   -0.17  0.49   -0.20  0.04   
1 1 1 48 12 3  o 11.195  0.4755 12.184  144.000   -1.07  7.80   1.70   -0.41  
1 1 1 48 12 4  o 6.4801  0.2344 5.2364  -24.8000  1.37   0.49   -0.18  1.04   
1 1 1 48 12 5  o 10.628  0.1729 11.241  -155.0000 -0.80  -0.87  -0.25  0.47   
1 1 1 48 12 6  o 3.0035  0.4428 3.6196  156.800   0.53   -0.11  -0.06  -0.07  
1 1 1 48 12 7  o 3.2832  0.3948 3.8180  172.600   -0.21  0.04   -0.01  -0.01  
1 1 1 48 12 8  o 5.3905  0.7021 5.6909  -136.9000 0.48   0.06   -0.00  -0.00  
1 1 1 48 12 9  o 8.8557  0.2208 9.3346  -113.4000 -0.88  -1.21  -0.34  -0.00  
1 1 1 48 12 10 o 2.8650  0.5336 3.6097  130.000   0.15   0.11   0.01   0.01   
1 1 1 48 12 11 o 5.1841  0.3547 4.3162  139.100   0.23   0.18   0.01   0.01   
1 1 1 48 12 12 o 2.8171  1.2979 1.2412  -81.6000  0.33   -0.30  -0.02  0.01   
1 1 1 48 12 13 o 5.2636  0.4210 4.5348  37.400    -0.00  0.60   0.00   0.02   
1 1 1 48 12 14 o 4.5250  0.4318 ?       ?         -0.39  0.34   0.01   -0.02  
1 1 1 48 12 15 o 3.0561  0.6199 ?       ?         -0.43  -0.64  -0.05  0.00   
1 1 1 48 12 16 o 6.0474  0.4018 ?       ?         0.70   -0.28  0.01   -0.02  
1 1 1 48 12 17 o 6.3515  0.5812 ?       ?         0.75   1.06   -0.04  0.00   
1 1 1 48 12 18 o 3.0737  0.7826 ?       ?         0.17   0.34   -0.00  0.00   
1 1 1 48 12 19 o 0.0000  2.3443 ?       ?         -0.06  -0.54  -0.01  0.00   
1 1 1 48 13 0  o 4.5607  0.4291 2.9493  180.000   0.12   0.00   0.00   0.00   
1 1 1 48 13 1  o 15.114  0.1386 15.256  50.500    1.27   0.19   0.38   0.20   
1 1 1 48 13 2  o 8.0902  0.1954 6.1515  16.800    0.53   0.19   0.01   -0.06  
1 1 1 48 13 3  o 2.0670  0.5103 0.3777  -133.1000 -0.16  -0.12  -0.03  0.04   
1 1 1 48 13 4  o 5.4376  0.2758 6.3086  81.200    -0.48  -0.60  0.13   -0.03  
1 1 1 48 13 5  o 2.4346  0.9640 2.2967  -154.4000 0.21   -0.15  -0.01  0.01   
1 1 1 48 13 6  o 3.8344  0.3828 5.0022  78.500    -0.33  0.49   -0.04  0.05   
1 1 1 48 13 7  o 0.8077  0.7308 2.0473  20.700    0.21   0.01   0.02   -0.05  
1 1 1 48 13 8  o 13.909  0.4315 14.715  124.600   1.81   2.85   -0.16  -0.28  
1 1 1 48 13 9  o 5.2848  0.4265 4.4460  -16.9000  -0.36  0.70   -0.02  0.04   
1 1 1 48 13 10 o 3.9238  0.4802 4.7342  89.200    0.00   -0.37  0.01   -0.01  
1 1 1 48 13 11 o 5.6184  0.3456 5.1484  -32.5000  -0.05  0.01   0.00   0.00   
1 1 1 48 13 12 o 3.2035  0.7415 2.4093  -123.7000 0.43   -0.21  0.01   0.02   
1 1 1 48 13 13 o 2.6464  1.2134 1.6038  151.600   -0.36  0.29   0.03   0.01   
1 1 1 48 13 14 o 1.0804  0.8951 ?       ?         0.28   0.28   -0.02  -0.01  
1 1 1 48 13 15 o 0.8816  0.9153 ?       ?         0.14   0.16   -0.00  0.01   
1 1 1 48 13 16 o 5.8793  0.4003 ?       ?         0.94   -0.88  0.01   -0.07  
1 1 1 48 13 17 o 4.5672  0.8931 ?       ?         0.82   -0.20  -0.01  -0.02  
1 1 1 48 13 18 o 1.8098  1.0482 ?       ?         -0.05  -0.20  -0.00  -0.00  
1 1 1 48 13 19 o 3.6924  1.0736 ?       ?         -1.01  -0.11  -0.00  -0.00  
1 1 1 48 14 0  o 4.4609  0.3997 7.3417  180.000   -0.24  0.00   0.00   0.00   
1 1 1 48 14 1  o 4.9003  0.2797 3.4466  133.200   -0.48  0.91   0.36   -0.28  
1 1 1 48 14 2  o 4.2128  0.3115 6.0134  34.800    0.16   -0.13  0.01   0.01   
1 1 1 48 14 3  o 3.7756  0.6768 3.2404  -113.1000 -0.71  -0.37  -0.01  -0.03  
1 1 1 48 14 4  o 4.4011  0.3307 2.6763  137.400   0.12   0.45   -0.02  -0.06  
1 1 1 48 14 5  o 8.5800  0.1964 9.0615  -69.9000  0.99   0.17   0.05   -0.19  
1 1 1 48 14 6  o 8.0207  0.2153 8.3602  -146.1000 -0.53  0.30   -0.06  -0.06  
1 1 1 48 14 7  o 3.3256  0.4293 2.0521  -18.7000  -0.11  -0.24  -0.02  -0.01  
1 1 1 48 14 8  o 4.0914  0.4700 4.2336  46.200    0.66   -0.89  0.09   0.04   
1 1 1 48 14 9  o 1.8373  0.9132 2.5818  -57.4000  -0.42  -0.01  -0.02  0.02   
1 1 1 48 14 10 o 9.2102  0.2144 8.7939  -151.1000 -0.77  -0.02  0.10   -0.01  
1 1 1 48 14 11 o 5.9093  0.3866 4.6797  109.300   0.99   -1.14  -0.16  0.06   
1 1 1 48 14 12 o 1.8978  0.6969 1.9519  -12.3000  0.01   -0.09  -0.00  -0.00  
1 1 1 48 14 13 o 2.7278  0.7069 3.0659  -36.2000  0.16   -0.29  -0.01  0.01   
1 1 1 48 14 14 o 2.0628  0.7644 ?       ?         0.41   -0.03  0.02   0.01   
1 1 1 48 14 15 o 3.7287  0.5683 ?       ?         0.32   -0.20  0.00   -0.01  
1 1 1 48 14 16 o 1.3967  1.0435 ?       ?         0.16   -0.30  -0.01  -0.00  
1 1 1 48 14 17 o 0.0000  2.0900 ?       ?         0.18   0.47   -0.03  0.01   
1 1 1 48 14 18 f 3.6778  1.6744 ?       ?         -0.19  0.57   0.00   -0.01  
1 1 1 48 15 0  o 2.6077  0.6078 0.1317  -180.0000 -0.11  0.00   0.00   0.00   
1 1 1 48 15 1  o 4.7326  0.2876 4.7645  62.500    -0.19  -0.03  0.01   0.02   
1 1 1 48 15 2  o 14.000  0.1527 13.959  45.500    1.77   0.48   0.17   -0.36  
1 1 1 48 15 3  o 3.9433  0.3257 4.3113  -29.4000  0.42   0.24   0.03   -0.05  
1 1 1 48 15 4  o 1.8149  0.8579 1.3827  -44.3000  0.86   -0.24  -0.06  0.08   
1 1 1 48 15 5  o 6.5912  0.2384 7.9418  78.600    1.39   0.30   0.45   0.79   
1 1 1 48 15 6  o 5.4584  0.3096 4.0372  169.800   -1.80  -0.47  -0.02  -0.36  
1 1 1 48 15 7  f 6.3772  0.2638 6.0378  108.800   0.64   -0.11  0.05   -0.10  
1 1 1 48 15 8  o 6.6694  0.2491 6.7779  28.300    0.52   0.94   -0.29  0.06   
1 1 1 48 15 9  o 2.1488  0.5634 0.8607  163.800   0.30   0.23   0.04   -0.02  
1 1 1 48 15 10 o 9.6278  0.2056 9.9149  -96.8000  1.06   -1.31  -0.31  -0.09  
1 1 1 48 15 11 o 11.983  0.2645 12.395  158.200   -2.56  -0.04  0.08   -0.30  
1 1 1 48 15 12 o 8.5210  0.2523 8.5354  -117.0000 -1.11  -0.70  -0.08  0.10   
1 1 1 48 15 13 o 0.0000  1.7243 ?       ?         -0.07  -0.21  -0.02  0.02   
1 1 1 48 15 14 o 5.1991  0.4126 ?       ?         -0.32  0.31   0.01   -0.01  
1 1 1 48 15 15 o 6.1649  0.4146 ?       ?         -0.13  0.15   0.00   -0.00  
1 1 1 48 15 16 o 0.0000  1.9335 ?       ?         0.25   -0.56  -0.03  -0.03  
1 1 1 48 15 17 o 4.7486  0.5860 ?       ?         0.10   0.52   -0.00  -0.00  
1 1 1 48 15 18 f 3.9344  1.7974 ?       ?         0.09   0.22   0.00   0.00   
1 1 1 48 16 0  o 6.8557  0.2935 5.1974  0.0000    0.08   0.00   0.00   0.00   
1 1 1 48 16 1  f 8.4728  0.1828 7.7947  -92.8000  0.44   -0.47  0.12   -0.15  
1 1 1 48 16 2  o 8.2571  0.1895 7.3400  -104.6000 -0.20  -0.95  0.06   0.23   
1 1 1 48 16 3  o 5.0288  0.2823 6.3060  -90.4000  0.25   -0.53  -0.18  -0.11  
1 1 1 48 16 4  o 6.3317  0.2445 6.6649  -115.8000 -0.96  -0.70  -0.33  0.47   
1 1 1 48 16 5  o 5.2860  0.3323 5.9215  86.300    -1.52  0.81   -0.28  0.02   
1 1 1 48 16 6  o 7.5395  0.2219 6.8850  -13.0000  1.22   0.82   0.22   -0.19  
1 1 1 48 16 7  o 6.7950  0.2484 6.4470  -101.0000 0.83   -0.64  0.23   -0.19  
1 1 1 48 16 8  o 8.1927  0.2082 7.8256  120.500   -0.41  0.79   -0.10  0.05   
1 1 1 48 16 9  o 10.491  0.1733 11.271  127.600   -0.30  1.36   -0.21  0.12   
1 1 1 48 16 10 o 5.6205  0.4606 6.2720  -158.5000 -0.75  -0.23  0.01   -0.04  
1 1 1 48 16 11 o 4.2457  0.4235 3.0845  -152.1000 -0.34  -0.49  -0.02  0.05   
1 1 1 48 16 12 o 6.0175  0.3269 4.7657  31.800    1.13   0.11   0.09   -0.08  
1 1 1 48 16 13 o 1.8588  0.8925 ?       ?         -0.04  -0.33  -0.01  -0.01  
1 1 1 48 16 14 o 5.7472  0.4168 ?       ?         0.69   -0.84  0.03   -0.05  
1 1 1 48 16 15 o 3.2950  0.6701 ?       ?         -0.47  -0.00  0.01   -0.00  
1 1 1 48 16 16 o 1.1467  0.9737 ?       ?         -0.07  0.24   -0.01  -0.00  
1 1 1 48 16 17 o 3.1625  0.7836 ?       ?         -0.71  -0.25  0.01   0.00   
1 1 1 48 16 18 o 4.3054  1.0313 ?       ?         0.23   0.23   -0.00  0.00   
1 1 1 48 17 0  o 4.6797  0.4020 4.0230  -0.0000   0.09   0.00   0.00   0.00   
1 1 1 48 17 1  o 4.6959  0.3458 3.8444  175.700   -0.78  1.63   0.31   0.05   
1 1 1 48 17 2  o 6.1700  0.3764 4.9079  -137.5000 -3.13  -2.06  -0.78  -0.41  
1 1 1 48 17 3  o 6.1244  0.2396 4.9621  -123.1000 -0.17  0.67   -0.09  0.12   
1 1 1 48 17 4  o 2.6360  0.4595 2.8052  -5.0000   0.43   -0.08  -0.01  -0.08  
1 1 1 48 17 5  o 8.8034  0.1917 8.6183  -166.0000 0.94   0.07   0.31   -0.00  
1 1 1 48 17 6  o 6.5385  0.2733 7.3623  162.600   0.06   0.99   0.03   -0.09  
1 1 1 48 17 7  o 3.7206  0.3918 4.6763  172.300   -0.76  -0.86  0.21   -0.03  
1 1 1 48 17 8  o 6.8446  0.2211 7.3716  161.200   -0.28  -0.68  0.05   0.10   
1 1 1 48 17 9  o 2.7144  0.4910 1.8476  -80.8000  -0.14  -0.08  -0.00  0.00   
1 1 1 48 17 10 o 3.9505  0.4992 4.5035  86.400    -0.47  1.02   -0.04  0.08   
1 1 1 48 17 11 o 5.2516  0.3573 5.3320  -98.2000  0.50   -0.81  -0.10  0.00   
1 1 1 48 17 12 o 6.1121  0.3408 6.0798  -68.7000  -0.39  -0.11  0.01   0.01   
1 1 1 48 17 13 o 6.1273  0.3680 ?       ?         0.81   0.05   0.03   -0.02  
1 1 1 48 17 14 o 1.5586  0.9453 ?       ?         0.04   -0.34  -0.01  0.01   
1 1 1 48 17 15 o 2.7234  0.7569 ?       ?         0.05   0.02   0.00   0.00   
1 1 1 48 17 16 o 1.6247  0.9802 ?       ?         -0.22  -0.11  0.00   0.00   
1 1 1 48 17 17 o 0.0000  2.3193 ?       ?         -0.04  -0.21  -0.00  0.00   
1 1 1 48 17 18 o 3.4919  1.0977 ?       ?         0.31   -0.18  0.00   0.00   
1 1 1 48 18 0  o 6.1968  0.3145 6.2633  -180.0000 0.32   0.00   0.00   0.00   
1 1 1 48 18 1  o 6.2910  0.2581 5.9707  -11.0000  0.01   -1.12  0.09   -0.10  
1 1 1 48 18 2  o 5.4191  0.2707 5.8095  137.600   -0.91  -0.45  0.03   -0.12  
1 1 1 48 18 3  o 4.0866  0.3153 2.9986  -104.6000 0.57   -0.06  0.19   -0.07  
1 1 1 48 18 4  o 6.8735  0.3866 6.8308  42.300    4.18   -0.65  -0.81  -0.32  
1 1 1 48 18 5  o 4.3553  0.3227 3.6923  -167.5000 0.23   0.07   0.02   -0.01  
1 1 1 48 18 6  o 2.8747  0.4489 2.3064  -62.0000  0.09   -0.17  -0.02  -0.01  
1 1 1 48 18 7  o 4.2992  0.3262 4.6023  -173.5000 -0.27  -0.55  -0.09  0.11   
1 1 1 48 18 8  o 3.9728  0.3432 3.7844  105.800   0.55   0.90   -0.12  -0.10  
1 1 1 48 18 9  o 7.1987  0.2224 7.0152  -23.6000  0.08   0.95   -0.08  -0.10  
1 1 1 48 18 10 o 4.0439  0.4256 3.6680  -169.2000 0.01   -0.39  -0.01  -0.02  
1 1 1 48 18 11 o 2.4905  0.6957 1.2382  -172.6000 -0.02  0.23   0.00   -0.01  
1 1 1 48 18 12 o 3.4061  1.2628 2.6021  -163.1000 -1.06  -0.42  0.02   -0.08  
1 1 1 48 18 13 o 2.7962  0.6255 ?       ?         -0.44  0.11   0.02   0.00   
1 1 1 48 18 14 o 1.9177  0.8242 ?       ?         -0.25  0.32   -0.01  -0.01  
1 1 1 48 18 15 o 3.1736  0.9091 ?       ?         0.82   0.58   -0.01  0.03   
1 1 1 48 18 16 o 2.9173  1.3264 ?       ?         0.45   0.11   0.00   0.01   
1 1 1 48 18 17 o 2.0061  1.1908 ?       ?         -0.20  -0.56  -0.01  0.00   
1 1 1 48 18 18 o 0.0000  3.1135 ?       ?         -0.22  0.16   0.00   -0.00  
1 1 1 48 19 0  o 3.6056  0.4417 1.2594  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 48 19 1  o 2.9381  0.3848 2.2065  -106.7000 0.17   0.21   -0.03  0.03   
1 1 1 48 19 2  o 2.8151  0.4930 1.2463  5.2000    -0.73  0.21   -0.07  -0.01  
1 1 1 48 19 3  o 3.7352  0.3201 3.5130  -147.5000 -0.30  -0.20  0.04   0.08   
1 1 1 48 19 4  o 6.5744  0.2069 6.6698  -90.6000  0.38   -0.78  -0.34  -0.13  
1 1 1 48 19 5  o 4.9726  0.5546 5.4558  -145.3000 0.65   -1.86  0.04   0.15   
1 1 1 48 19 6  o 5.6751  0.2805 4.9637  -46.3000  0.43   -0.62  0.06   0.00   
1 1 1 48 19 7  o 5.4635  0.2864 5.4650  -159.3000 -0.57  -0.78  0.11   0.01   
1 1 1 48 19 8  o 3.9627  0.3591 5.0963  -91.3000  1.27   -0.28  -0.12  -0.13  
1 1 1 48 19 9  o 4.1209  0.3850 3.5222  100.800   -0.38  0.15   0.03   0.00   
1 1 1 48 19 10 o 7.9740  0.2491 7.6446  -127.6000 -0.51  -0.89  -0.02  0.11   
1 1 1 48 19 11 o 3.2337  0.5299 3.2562  -109.7000 0.17   -0.14  0.00   -0.01  
1 1 1 48 19 12 o 6.0544  0.3518 ?       ?         -0.63  0.99   -0.06  -0.02  
1 1 1 48 19 13 o 8.7979  0.2954 ?       ?         2.90   2.35   0.41   0.33   
1 1 1 48 19 14 o 0.4036  0.9052 ?       ?         -0.10  -0.04  0.00   -0.00  
1 1 1 48 19 15 o 2.8619  1.1514 ?       ?         0.06   -0.22  -0.00  -0.00  
1 1 1 48 19 16 o 4.0128  0.8663 ?       ?         -0.77  1.31   -0.02  -0.01  
1 1 1 48 19 17 o 2.6418  1.2358 ?       ?         0.36   0.08   0.00   0.00   
1 1 1 48 20 0  o 13.784  0.2633 13.950  0.0000    0.87   0.00   0.00   0.00   
1 1 1 48 20 1  o 4.7716  0.3680 4.5705  -160.0000 -0.36  -0.72  -0.18  0.09   
1 1 1 48 20 2  o 3.0947  0.3985 3.1343  175.000   -0.60  0.29   -0.07  -0.01  
1 1 1 48 20 3  o 3.4740  0.6223 3.2638  73.000    0.27   1.42   0.06   -0.09  
1 1 1 48 20 4  o 2.4743  0.4298 1.9528  59.700    0.57   0.44   -0.14  0.26   
1 1 1 48 20 5  o 5.9802  0.2344 7.7905  -121.6000 -0.32  0.43   0.04   0.00   
1 1 1 48 20 6  f 3.6729  0.3739 3.8786  77.200    0.16   -0.19  -0.01  0.00   
1 1 1 48 20 7  o 2.9337  0.4460 2.5638  -86.5000  0.01   0.04   -0.00  0.00   
1 1 1 48 20 8  o 3.3254  0.4700 1.6702  63.300    -1.10  0.63   0.05   0.12   
1 1 1 48 20 9  o 3.2356  0.4483 2.8886  136.600   0.13   0.01   0.00   0.00   
1 1 1 48 20 10 o 4.9405  0.3455 4.5831  -2.0000   0.56   0.29   0.00   0.05   
1 1 1 48 20 11 o 3.1771  0.5326 3.1628  131.800   0.37   0.54   0.01   0.05   
1 1 1 48 20 12 o 4.4590  0.4968 ?       ?         -1.54  0.21   0.05   0.08   
1 1 1 48 20 13 o 3.3201  0.6014 ?       ?         0.13   0.27   -0.01  -0.00  
1 1 1 48 20 14 o 6.7628  0.6990 ?       ?         -0.24  -0.20  0.00   0.00   
1 1 1 48 20 15 o 8.3012  0.4532 ?       ?         1.36   -0.13  0.02   -0.00  
1 1 1 48 20 16 f 3.3912  1.3231 ?       ?         0.28   0.46   -0.00  0.00   
1 1 1 48 20 17 o 1.6309  1.3514 ?       ?         0.62   0.40   0.00   0.01   
1 1 1 48 21 0  o 2.5100  0.7760 5.0807  -0.0000   0.17   0.00   0.00   0.00   
1 1 1 48 21 1  o 4.0167  0.4206 3.5953  -62.4000  -0.02  -0.56  -0.01  -0.05  
1 1 1 48 21 2  o 6.0070  0.2915 5.9072  -104.3000 -0.09  0.37   -0.03  0.01   
1 1 1 48 21 3  o 6.2642  0.2395 7.0859  -127.1000 -0.67  -1.10  0.15   0.38   
1 1 1 48 21 4  o 2.7810  0.4422 1.7650  -83.6000  -0.17  -0.40  -0.02  0.08   
1 1 1 48 21 5  o 3.8369  0.3019 4.9566  -76.4000  -0.05  -0.44  -0.03  0.07   
1 1 1 48 21 6  o 4.3657  0.4824 3.7139  177.600   -0.36  -0.82  -0.01  -0.05  
1 1 1 48 21 7  o 0.5604  0.7117 0.9159  27.400    -0.02  0.17   -0.01  0.02   
1 1 1 48 21 8  o 4.6139  0.3220 4.4730  -40.6000  0.12   -0.09  0.00   -0.01  
1 1 1 48 21 9  o 2.0458  0.5458 1.2378  145.500   -0.09  -0.01  0.00   -0.00  
1 1 1 48 21 10 o 0.4445  0.7374 0.7806  -121.9000 -0.15  -0.15  -0.02  0.01   
1 1 1 48 21 11 o 1.0899  0.8460 1.9661  27.400    0.24   0.12   0.02   0.00   
1 1 1 48 21 12 o 3.5678  0.5970 ?       ?         0.61   0.02   0.01   0.02   
1 1 1 48 21 13 o 3.5414  0.6938 ?       ?         -0.43  0.09   0.00   -0.01  
1 1 1 48 21 14 o 3.8591  0.7089 ?       ?         0.02   -0.03  -0.00  -0.00  
1 1 1 48 21 15 o 0.0000  2.6969 ?       ?         0.44   0.57   -0.00  0.01   
1 1 1 48 21 16 o 4.1429  1.9531 ?       ?         0.76   0.43   0.00   -0.00  
1 1 1 48 21 17 o 1.0488  1.6366 ?       ?         0.22   -0.65  0.00   0.00   
1 1 1 48 22 0  o 5.2820  0.4837 3.6215  -0.0000   -0.10  0.00   0.00   0.00   
1 1 1 48 22 1  o 4.9101  0.5226 5.4314  62.200    -0.79  0.23   -0.00  0.04   
1 1 1 48 22 2  o 2.8990  0.7550 1.3511  106.300   0.44   0.28   0.01   -0.03  
1 1 1 48 22 3  o 2.5069  1.1503 0.9295  49.100    0.56   0.20   -0.04  0.00   
1 1 1 48 22 4  o 2.4257  0.4612 0.7401  27.800    -0.13  0.56   -0.15  -0.05  
1 1 1 48 22 5  o 3.5786  0.3748 4.3641  -155.9000 -0.36  -0.28  -0.01  0.06   
1 1 1 48 22 6  o 6.8989  0.2000 6.6459  -156.2000 -1.10  0.56   0.32   -0.16  
1 1 1 48 22 7  o 3.1207  0.4080 2.9384  -56.0000  -0.02  -0.05  0.00   0.00   
1 1 1 48 22 8  o 4.7435  0.7021 4.7335  4.0000    1.42   1.27   0.08   -0.09  
1 1 1 48 22 9  o 2.7477  0.6971 3.1089  44.400    0.22   -0.32  -0.01  0.01   
1 1 1 48 22 10 o 4.0024  0.4769 4.8923  -106.7000 -0.03  -0.37  -0.01  0.01   
1 1 1 48 22 11 o 5.9155  0.5776 ?       ?         -0.89  -0.87  -0.04  0.00   
1 1 1 48 22 12 o 3.1968  1.4276 ?       ?         -0.24  0.48   0.02   -0.01  
1 1 1 48 22 13 o 6.7830  0.4412 ?       ?         0.36   0.47   -0.00  0.00   
1 1 1 48 22 14 o 6.9120  0.5141 ?       ?         0.46   -0.93  -0.00  -0.01  
1 1 1 48 22 15 o 4.1927  1.6720 ?       ?         0.43   -0.39  -0.00  -0.00  
1 1 1 48 22 16 o 4.4833  1.3538 ?       ?         0.15   -0.78  0.00   0.00   
1 1 1 48 22 17 o 3.2249  1.5105 ?       ?         1.21   0.74   0.00   0.00   
1 1 1 48 23 0  o 2.1213  0.8190 0.2327  180.000   -0.03  0.00   0.00   0.00   
1 1 1 48 23 1  o 5.2968  0.3409 5.3537  -7.4000   0.94   -0.03  -0.01  -0.09  
1 1 1 48 23 2  o 8.0486  0.2252 8.1959  -69.9000  -0.43  0.21   -0.02  -0.02  
1 1 1 48 23 3  o 3.3613  0.4618 3.4750  -93.3000  0.12   -0.58  -0.04  -0.06  
1 1 1 48 23 4  o 7.0015  0.3701 6.6465  -138.3000 -1.30  -0.69  0.08   -0.10  
1 1 1 48 23 5  o 9.7833  0.1650 10.143  -26.5000  1.76   2.03   0.61   0.44   
1 1 1 48 23 6  f 4.8256  0.3142 6.2594  5.6000    -0.26  -0.73  0.02   0.08   
1 1 1 48 23 7  o 6.3181  0.2319 6.0880  117.700   0.44   0.28   0.04   0.01   
1 1 1 48 23 8  o 5.7864  0.5628 4.8474  -24.4000  -0.49  2.40   0.04   0.20   
1 1 1 48 23 9  o 4.2928  0.3656 6.1371  165.500   -0.62  0.20   0.03   0.02   
1 1 1 48 23 10 o 2.1372  0.6597 2.2422  139.900   0.11   -0.03  0.00   0.00   
1 1 1 48 23 11 o 2.4172  0.7116 ?       ?         -0.42  0.25   0.00   -0.02  
1 1 1 48 23 12 o 3.1764  1.4121 ?       ?         0.36   -0.44  -0.01  -0.00  
1 1 1 48 23 13 o 6.3481  0.5537 ?       ?         -1.60  -0.66  -0.02  0.03   
1 1 1 48 23 14 o 5.7921  2.2012 ?       ?         -0.66  0.50   -0.01  0.00   
1 1 1 48 23 15 o 1.5732  1.3559 ?       ?         -0.20  0.10   0.00   -0.00  
1 1 1 48 23 16 o 0.0000  4.0497 ?       ?         -0.40  -0.63  0.00   0.00   
1 1 1 48 24 0  o 22.210  0.6769 22.176  -180.0000 -2.18  0.00   0.00   0.00   
1 1 1 48 24 1  o 6.3452  0.2825 5.2410  75.500    -0.14  0.73   -0.08  -0.06  
1 1 1 48 24 2  o 6.3562  0.4139 5.9683  -57.5000  0.48   0.35   0.01   -0.01  
1 1 1 48 24 3  o 3.3358  0.4883 4.1056  -172.5000 0.01   -0.38  0.00   0.01   
1 1 1 48 24 4  o 3.9452  0.4076 2.0273  165.300   -0.53  0.21   0.05   0.01   
1 1 1 48 24 5  o 4.8538  0.3717 5.1911  -156.3000 -0.53  0.04   -0.00  -0.02  
1 1 1 48 24 6  o 2.8467  0.4167 2.5733  140.300   -0.13  -0.02  -0.00  0.00   
1 1 1 48 24 7  o 4.4751  0.3268 5.1842  -32.8000  0.75   0.63   0.07   0.15   
1 1 1 48 24 8  o 3.6102  0.3806 3.6240  -9.7000   0.35   0.16   0.02   -0.00  
1 1 1 48 24 9  o 4.5191  0.8542 4.6595  163.400   -0.73  -0.34  -0.02  0.00   
1 1 1 48 24 10 o 3.3462  0.5854 ?       ?         0.14   -0.04  0.00   0.00   
1 1 1 48 24 11 o 5.0239  0.6953 ?       ?         0.47   -0.61  -0.02  0.00   
1 1 1 48 24 12 o 4.5762  0.6539 ?       ?         0.96   0.36   0.01   0.01   
1 1 1 48 24 13 o 3.5031  0.7716 ?       ?         0.42   -0.49  -0.00  -0.00  
1 1 1 48 24 14 o 0.0000  3.3912 ?       ?         -0.21  -0.26  0.00   0.00   
1 1 1 48 24 15 o 0.0000  3.9875 ?       ?         -0.24  -0.38  0.00   0.00   
1 1 1 48 24 16 o 0.0000  4.0988 ?       ?         -0.19  -0.07  0.00   0.00   
1 1 1 48 25 0  o 6.8411  0.3208 5.2522  0.0000    0.38   0.00   0.00   0.00   
1 1 1 48 25 1  o 5.9962  0.2898 6.8644  148.000   -1.47  -1.03  0.24   -0.11  
1 1 1 48 25 2  o 9.3199  0.2032 10.213  -48.9000  1.10   -1.38  -0.28  -0.15  
1 1 1 48 25 3  o 7.5096  0.6399 6.4904  118.200   -2.96  2.77   -0.26  0.23   
1 1 1 48 25 4  o 3.2925  0.4617 3.7341  22.700    0.11   0.33   -0.02  0.01   
1 1 1 48 25 5  o 8.9728  0.2334 9.5063  -50.8000  1.61   -0.37  -0.03  -0.18  
1 1 1 48 25 6  o 4.6309  0.3902 4.9291  -171.8000 -0.53  -0.07  0.01   0.03   
1 1 1 48 25 7  o 1.7123  0.6967 1.9197  -83.0000  -0.49  -0.38  -0.05  -0.00  
1 1 1 48 25 8  o 4.5593  0.3585 5.8999  39.000    0.40   1.20   -0.05  -0.09  
1 1 1 48 25 9  o 4.2948  0.5297 3.0739  50.400    1.08   0.09   -0.02  0.05   
1 1 1 48 25 10 o 8.3857  0.3081 ?       ?         -0.40  1.84   -0.11  -0.01  
1 1 1 48 25 11 o 2.2247  1.0655 ?       ?         -0.28  -0.18  0.01   0.00   
1 1 1 48 25 12 f 3.8372  0.6043 ?       ?         0.27   -0.13  0.00   -0.00  
1 1 1 48 25 13 o 3.4641  1.1353 ?       ?         -0.37  -0.79  0.00   0.00   
1 1 1 48 25 14 o 4.8374  0.8938 ?       ?         -0.62  0.10   0.00   0.00   
1 1 1 48 25 15 o 2.5690  1.6402 ?       ?         0.11   0.15   0.00   0.00   
1 1 1 48 26 0  o 7.0993  0.2842 5.8702  0.0000    -0.35  0.00   0.00   0.00   
1 1 1 48 26 1  o 2.5907  0.4561 2.8778  83.100    -0.20  0.56   -0.08  -0.08  
1 1 1 48 26 2  o 5.4935  0.2721 5.8397  -65.9000  0.24   0.07   0.00   0.01   
1 1 1 48 26 3  o 7.9504  0.3346 7.6387  -85.4000  3.24   -0.32  -0.24  -0.47  
1 1 1 48 26 4  o 6.9380  0.3642 5.9975  176.400   -1.61  -3.14  -0.71  -0.16  
1 1 1 48 26 5  o 4.8810  0.6060 4.3306  -109.7000 1.01   -0.53  0.06   0.01   
1 1 1 48 26 6  o 4.7050  0.5717 5.6711  -24.0000  0.21   -0.43  -0.01  -0.01  
1 1 1 48 26 7  o 6.3776  0.8104 6.4685  -112.4000 -2.61  -0.37  -0.09  0.12   
1 1 1 48 26 8  o 2.6206  0.6744 2.8905  -119.6000 0.56   0.31   -0.01  0.02   
1 1 1 48 26 9  o 5.1762  0.6718 ?       ?         0.59   0.51   0.01   -0.00  
1 1 1 48 26 10 o 1.6840  0.9053 ?       ?         0.01   0.02   -0.00  -0.00  
1 1 1 48 26 11 o 7.1204  0.4608 ?       ?         0.34   0.37   0.00   0.00   
1 1 1 48 26 12 o 3.8341  1.1730 ?       ?         0.14   0.13   0.00   0.00   
1 1 1 48 26 13 o 4.2190  0.9780 ?       ?         -0.75  -0.46  0.00   0.00   
1 1 1 48 27 0  o 7.8613  0.5181 6.6822  -180.0000 -0.66  0.00   0.00   0.00   
1 1 1 48 27 1  o 3.6641  0.6520 3.3296  -29.5000  -0.14  0.27   -0.01  -0.00  
1 1 1 48 27 2  o 3.1190  1.0097 2.9383  -62.4000  0.28   0.09   -0.00  0.01   
1 1 1 48 27 3  o 4.6064  2.0423 3.6429  145.700   0.16   0.35   -0.00  -0.01  
1 1 1 48 27 4  o 1.3296  1.0207 0.8844  153.000   0.36   0.01   0.02   0.00   
1 1 1 48 27 5  o 4.8668  1.0547 5.4235  139.300   -1.05  -0.24  -0.02  0.03   
1 1 1 48 27 6  o 9.3791  0.4164 9.1942  77.500    1.21   1.11   -0.01  0.05   
1 1 1 48 27 7  o 1.1126  1.3571 3.4800  131.800   -0.01  -0.45  -0.01  -0.00  
1 1 1 48 27 8  o 1.3768  1.3936 ?       ?         -0.47  -0.58  -0.00  0.01   
1 1 1 48 27 9  o 5.3247  1.6368 ?       ?         0.40   -0.50  0.00   -0.00  
1 1 1 48 27 10 f 3.0659  0.7735 ?       ?         -0.43  0.21   0.00   0.00   
1 1 1 48 27 11 o 3.6332  0.8588 ?       ?         -0.65  -0.22  0.00   0.00   
1 1 1 48 28 0  f 6.1074  0.7720 5.3129  -0.0000   0.41   0.00   0.00   0.00   
1 1 1 48 28 1  o 8.3438  0.4260 8.7377  -109.8000 -0.49  -2.18  -0.12  0.08   
1 1 1 48 28 2  o 2.7728  1.2675 3.2767  176.000   -0.46  0.02   0.00   -0.02  
1 1 1 48 28 3  o 2.1814  1.0026 2.1759  -146.9000 -0.08  -0.31  -0.01  0.00   
1 1 1 48 28 4  o 3.5190  0.7841 2.2477  84.300    0.36   0.25   -0.00  0.01   
1 1 1 48 28 5  o 6.7418  0.8412 8.7289  -51.8000  0.40   0.25   -0.00  0.00   
1 1 1 48 28 6  o 3.3443  1.0029 3.5021  69.300    0.59   -0.49  0.01   -0.01  
1 1 1 48 28 7  o 2.8723  1.4083 0.7547  -85.8000  0.34   -0.13  0.00   0.00   
1 1 1 48 28 8  f 3.2621  1.5710 ?       ?         -0.56  -0.63  0.02   0.01   
1 1 1 48 28 9  o 2.8118  1.6010 ?       ?         0.11   0.35   -0.00  -0.00  
1 1 1 48 28 10 o 2.1448  1.4799 ?       ?         -0.12  0.20   0.00   0.00   
1 1 1 48 29 0  o 6.0249  0.8059 5.4715  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 48 29 1  o 4.3744  1.5144 3.7666  19.200    -0.25  -0.25  -0.00  -0.00  
1 1 1 48 29 2  o 4.3653  0.6476 5.0496  125.000   -0.11  0.29   -0.00  -0.00  
1 1 1 48 29 3  o 4.0656  1.1216 2.0470  -128.9000 -0.78  -0.47  0.02   0.00   
1 1 1 48 29 4  o 5.7067  0.7893 3.8323  -69.6000  -0.40  -1.47  -0.02  0.00   
1 1 1 48 29 5  o 2.4038  1.2740 2.8567  54.100    -0.27  0.09   0.00   -0.00  
1 1 1 48 29 6  o 4.9992  0.8904 5.1940  161.900   -0.56  0.55   -0.00  -0.01  
1 1 1 48 29 7  o 3.8419  1.0486 ?       ?         -0.50  0.72   -0.00  -0.01  
1 1 1 48 29 8  o 2.6037  1.5807 ?       ?         -0.41  -0.57  -0.00  0.00   
1 1 1 48 29 9  o 4.8754  1.2445 ?       ?         0.33   0.23   0.00   -0.00  
1 1 1 48 30 0  o 6.1887  0.8458 6.9100  0.0000    0.54   0.00   0.00   0.00   
1 1 1 48 30 1  o 5.9662  0.6847 4.6766  24.800    0.30   -1.24  -0.02  0.01   
1 1 1 48 30 2  o 8.9423  0.5605 7.8343  -45.9000  0.40   0.23   -0.00  0.00   
1 1 1 48 30 3  o 8.1741  0.9562 7.8096  -73.1000  -0.04  1.12   -0.00  -0.01  
1 1 1 48 30 4  o 2.3166  1.1068 3.3462  173.000   -0.34  0.53   -0.01  -0.01  
1 1 1 48 30 5  o 4.3822  1.2969 ?       ?         -0.20  -0.49  0.00   0.01   
1 1 1 48 30 6  o 7.1438  3.1200 ?       ?         0.64   0.09   -0.00  0.00   
1 1 1 48 30 7  o 1.3895  1.5998 ?       ?         -0.10  0.45   -0.00  -0.00  
1 1 1 48 30 8  o 0.0000  3.2901 ?       ?         -0.25  -0.19  0.00   0.00   
1 1 1 48 31 0  o 0.0000  3.7417 2.3007  -180.0000 -0.34  0.00   0.00   0.00   
1 1 1 48 31 1  o 4.1735  0.8987 1.7399  -30.7000  0.61   -0.29  0.01   -0.00  
1 1 1 48 31 2  o 3.4298  0.9521 2.5742  -156.4000 -0.04  -0.35  -0.00  0.00   
1 1 1 48 31 3  o 7.5643  0.7909 7.5900  -142.8000 -1.02  -0.72  -0.01  0.01   
1 1 1 48 31 4  o 3.6991  1.2610 ?       ?         0.10   -0.56  -0.00  -0.01  
1 1 1 48 31 5  o 3.1334  1.4712 ?       ?         0.48   0.55   0.01   0.01   
1 1 1 48 31 6  o 2.9780  1.3464 ?       ?         -0.14  0.40   -0.00  -0.00  
1 1 1 48 31 7  o 8.6958  0.8014 ?       ?         0.82   0.39   -0.00  0.00   
1 1 1 48 32 0  o 4.3704  1.2547 ?       ?         -0.21  0.00   0.00   0.00   
1 1 1 48 32 1  o 9.1861  0.5633 ?       ?         1.57   -2.90  -0.02  -0.06  
1 1 1 48 32 2  f 0.0000  2.4852 ?       ?         -0.06  0.34   -0.00  -0.00  
1 1 1 48 32 3  o 0.7210  1.1423 ?       ?         -0.27  0.41   -0.01  -0.00  
1 1 1 48 32 4  o 4.0163  1.8567 ?       ?         -0.48  0.72   -0.01  -0.00  
1 1 1 48 32 5  f 2.5175  1.4382 ?       ?         -0.75  -0.26  0.00   0.00   
1 1 1 48 32 6  o 7.0498  1.0934 ?       ?         0.40   0.27   0.00   0.00   
1 1 1 48 33 0  o 0.0000  4.4159 ?       ?         -0.02  0.00   0.00   0.00   
1 1 1 48 33 1  o 3.5725  1.7467 ?       ?         -0.15  -0.25  0.00   0.00   
1 1 1 48 33 2  o 5.7141  0.9264 ?       ?         0.26   -0.73  0.00   -0.00  
1 1 1 48 33 3  o 5.8644  0.9805 ?       ?         0.28   -0.26  0.00   0.00   
1 1 1 48 33 4  o 4.9661  1.1311 ?       ?         -0.05  1.24   0.00   -0.00  
1 1 1 48 34 0  o 7.7524  1.2040 ?       ?         -1.58  0.00   0.00   0.00   
1 1 1 48 34 1  o 1.1614  1.5718 ?       ?         -0.19  0.96   -0.01  0.00   
1 1 1 49 0  1  o 9.3808  0.3144 9.6075  -135.0000 -0.42  -0.42  0.00   0.00   
1 1 1 49 0  2  o 3.9497  0.4819 4.7131  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 49 0  3  o 7.7071  0.3055 7.8359  -45.0000  0.16   -0.16  0.00   0.00   
1 1 1 49 0  4  o 6.4031  0.3406 5.7879  90.000    0.00   0.28   0.00   0.00   
1 1 1 49 0  5  o 7.1134  0.3224 4.9086  45.000    0.17   0.17   0.00   0.00   
1 1 1 49 0  6  o 3.2863  0.6072 3.7643  180.000   -0.02  0.00   0.00   0.00   
1 1 1 49 0  7  o 2.9496  0.5958 0.1718  135.000   -0.04  0.04   0.00   0.00   
1 1 1 49 0  8  o 3.2711  0.5877 1.6804  90.000    0.00   0.07   0.00   0.00   
1 1 1 49 0  9  o 3.7148  0.6547 4.8688  -135.0000 0.23   0.23   0.00   0.00   
1 1 1 49 0  10 o 4.8477  0.5190 6.0634  0.0000    0.00   0.00   0.00   0.00   
1 1 1 49 0  11 o 2.9155  0.7445 3.7788  135.000   -0.04  0.04   0.00   0.00   
1 1 1 49 0  12 o 11.610  0.3144 12.672  -90.0000  -0.00  -0.86  0.00   0.00   
1 1 1 49 0  13 o 4.1110  0.6176 4.6213  45.000    -0.12  -0.12  0.00   0.00   
1 1 1 49 0  14 o 2.6077  0.8778 0.0366  180.000   0.10   0.00   0.00   0.00   
1 1 1 49 0  15 o 2.5298  0.9318 ?       ?         -0.14  0.14   0.00   0.00   
1 1 1 49 0  16 o 4.6583  0.6202 ?       ?         0.00   0.41   0.00   0.00   
1 1 1 49 0  17 o 3.0984  0.8954 ?       ?         -0.08  -0.08  0.00   0.00   
1 1 1 49 0  18 o 2.3664  1.0950 ?       ?         -0.13  0.00   0.00   0.00   
1 1 1 49 0  19 o 3.2711  0.9320 ?       ?         0.00   -0.00  0.00   0.00   
1 1 1 49 1  0  o 1.6733  0.7743 0.6757  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 49 1  1  o 5.3896  0.2745 4.8776  53.600    0.11   0.52   -0.37  0.06   
1 1 1 49 1  2  o 17.327  0.2422 16.503  -83.8000  2.02   -1.87  -0.52  0.13   
1 1 1 49 1  3  o 7.3386  0.2746 6.0825  -81.8000  -1.37  -0.72  -0.27  -0.04  
1 1 1 49 1  4  o 2.0722  0.5706 0.7121  137.900   -0.29  -0.37  -0.10  -0.08  
1 1 1 49 1  5  o 7.7243  0.2274 6.9114  -36.2000  1.12   -0.20  0.01   0.23   
1 1 1 49 1  6  f 4.9964  0.4501 4.9057  85.600    0.75   0.83   -0.05  -0.08  
1 1 1 49 1  7  o 5.5042  0.2809 5.7714  124.500   -0.52  0.05   0.07   0.09   
1 1 1 49 1  8  f 7.2643  0.2295 6.8719  2.4000    -0.67  0.27   0.10   0.09   
1 1 1 49 1  9  o 9.1370  0.3560 10.347  117.800   -0.58  -1.44  0.13   0.05   
1 1 1 49 1  10 f 7.2344  0.2855 4.4805  -142.1000 0.01   -1.87  0.07   -0.32  
1 1 1 49 1  11 o 8.1407  0.2550 8.6092  -67.2000  0.30   -0.22  0.00   -0.02  
1 1 1 49 1  12 o 12.247  0.2023 10.733  2.9000    2.12   0.64   0.31   0.35   
1 1 1 49 1  13 o 4.2774  0.4604 4.1592  -70.0000  0.54   -0.49  -0.03  -0.00  
1 1 1 49 1  14 o 5.4875  0.3845 6.1617  -1.4000   1.25   0.24   0.17   -0.03  
1 1 1 49 1  15 o 5.4717  0.3862 ?       ?         0.62   0.17   -0.00  0.02   
1 1 1 49 1  16 o 2.8226  0.6954 ?       ?         0.01   0.21   -0.00  -0.00  
1 1 1 49 1  17 o 2.8174  1.2762 ?       ?         -0.12  -0.43  -0.01  -0.01  
1 1 1 49 1  18 o 5.1012  0.5093 ?       ?         -1.09  0.56   0.03   -0.02  
1 1 1 49 1  19 o 2.9146  0.8201 ?       ?         -0.54  0.64   -0.01  -0.01  
1 1 1 49 2  0  o 6.7823  0.3233 5.5549  180.000   0.24   0.00   0.00   0.00   
1 1 1 49 2  1  o 6.2871  0.5805 6.1392  134.000   0.68   1.76   0.09   -0.04  
1 1 1 49 2  2  o 6.4385  0.2366 5.3544  128.300   -0.36  0.39   -0.05  0.03   
1 1 1 49 2  3  o 13.181  0.1521 14.587  28.000    1.06   4.17   1.27   3.24   
1 1 1 49 2  4  o 4.3517  0.3528 4.7644  -169.0000 -0.05  -0.18  -0.03  -0.00  
1 1 1 49 2  5  o 14.141  0.1541 15.426  -134.2000 -0.92  -0.47  0.04   0.27   
1 1 1 49 2  6  o 17.066  0.2126 17.247  38.200    2.48   0.11   -0.13  0.43   
1 1 1 49 2  7  f 7.0378  0.4194 8.4555  -128.2000 -1.09  -1.53  -0.06  -0.17  
1 1 1 49 2  8  o 8.0697  0.2185 8.4788  83.300    -1.03  0.31   -0.13  -0.17  
1 1 1 49 2  9  o 6.8693  0.4888 7.4147  -110.2000 0.39   -0.19  -0.01  0.00   
1 1 1 49 2  10 o 5.4728  0.3581 5.5311  -117.2000 -0.39  0.26   0.02   -0.05  
1 1 1 49 2  11 o 6.3296  0.3157 6.9186  -176.5000 -0.68  -1.48  0.20   0.23   
1 1 1 49 2  12 o 8.9677  0.5807 9.5113  67.700    0.63   0.31   -0.01  0.00   
1 1 1 49 2  13 o 6.0523  0.6332 5.9971  38.000    2.21   0.13   -0.07  -0.13  
1 1 1 49 2  14 o 3.6236  0.5427 3.4259  -60.0000  0.31   -0.23  -0.01  -0.01  
1 1 1 49 2  15 o 4.0132  0.5005 ?       ?         -0.44  -0.45  -0.01  0.03   
1 1 1 49 2  16 o 5.5855  0.4093 ?       ?         0.08   -0.15  0.00   -0.00  
1 1 1 49 2  17 o 3.0668  0.6639 ?       ?         0.04   0.32   -0.00  -0.00  
1 1 1 49 2  18 o 3.7224  1.0946 ?       ?         0.19   -0.01  0.00   0.00   
1 1 1 49 2  19 o 3.4203  1.5290 ?       ?         1.20   -0.18  0.03   0.02   
1 1 1 49 3  0  o 2.6268  0.6050 2.7342  180.000   0.01   0.00   0.00   0.00   
1 1 1 49 3  1  o 9.2410  0.1829 9.8630  65.000    0.90   1.06   -0.10  1.07   
1 1 1 49 3  2  o 7.6770  0.2117 8.0411  145.300   -1.49  0.55   0.15   0.49   
1 1 1 49 3  3  o 9.8104  0.1847 8.8588  -70.1000  0.69   -2.03  -0.76  -1.97  
1 1 1 49 3  4  o 4.7379  0.3262 4.3496  97.200    0.52   0.05   0.18   -0.11  
1 1 1 49 3  5  o 6.2983  0.2592 5.9929  -76.6000  1.38   -0.54  0.46   0.51   
1 1 1 49 3  6  o 5.2311  0.3315 4.5023  -86.3000  0.51   -0.90  0.12   0.03   
1 1 1 49 3  7  o 9.6561  0.1878 10.671  -47.5000  -0.28  -0.24  -0.03  0.02   
1 1 1 49 3  8  o 8.7121  0.2013 8.2708  -88.6000  0.27   -0.03  0.00   0.01   
1 1 1 49 3  9  o 11.090  0.5033 10.341  -79.9000  2.04   -4.62  -0.11  0.75   
1 1 1 49 3  10 o 3.1476  0.5251 2.4768  67.000    -0.09  0.17   -0.00  0.00   
1 1 1 49 3  11 o 0.2527  0.6510 2.1903  -98.3000  -0.03  -0.12  -0.01  -0.00  
1 1 1 49 3  12 o 8.1273  0.4181 7.9090  158.000   -1.39  1.44   0.19   0.06   
1 1 1 49 3  13 o 8.7749  0.2548 8.6248  -38.0000  -0.25  -2.06  -0.13  0.32   
1 1 1 49 3  14 o 2.3992  0.6753 1.5177  101.100   0.05   0.07   -0.00  0.00   
1 1 1 49 3  15 o 7.0969  0.3269 ?       ?         0.46   1.57   -0.11  -0.08  
1 1 1 49 3  16 o 5.5914  0.4116 ?       ?         -0.17  0.63   -0.02  0.00   
1 1 1 49 3  17 o 2.3318  0.7719 ?       ?         -0.05  -0.41  -0.01  -0.01  
1 1 1 49 3  18 o 6.7762  0.3807 ?       ?         -1.26  -1.26  0.02   0.08   
1 1 1 49 3  19 o 3.9103  0.7584 ?       ?         -0.41  1.16   -0.00  -0.01  
1 1 1 49 4  0  o 4.7223  0.4168 4.5945  -180.0000 -0.06  0.00   0.00   0.00   
1 1 1 49 4  1  o 2.0653  0.5624 3.7466  -160.1000 0.38   -0.18  -0.06  0.00   
1 1 1 49 4  2  o 7.2365  0.2116 7.4089  130.200   -0.18  0.00   0.02   -0.01  
1 1 1 49 4  3  o 7.0456  0.2691 6.3906  62.200    -2.39  1.41   -0.92  0.21   
1 1 1 49 4  4  o 9.2409  0.1826 8.9452  -59.0000  0.34   -0.36  -0.08  -0.10  
1 1 1 49 4  5  o 0.9980  0.7460 1.3496  -64.4000  0.04   0.04   0.00   -0.00  
1 1 1 49 4  6  o 5.2040  0.5591 4.6596  -19.3000  2.17   -1.09  0.01   0.32   
1 1 1 49 4  7  o 6.2433  0.2510 5.6825  -174.8000 0.09   0.10   0.00   0.00   
1 1 1 49 4  8  o 6.1065  0.2661 7.1568  -169.3000 -0.47  -0.46  -0.03  0.21   
1 1 1 49 4  9  o 3.0751  0.5265 1.9273  -105.6000 0.29   -0.24  -0.03  -0.03  
1 1 1 49 4  10 o 4.1912  0.4294 3.6502  33.300    -0.14  0.74   0.04   -0.05  
1 1 1 49 4  11 o 6.0221  0.3470 6.3674  -77.6000  -0.65  -1.12  -0.12  -0.09  
1 1 1 49 4  12 o 7.9780  0.2723 9.2943  109.900   -0.75  2.00   -0.04  -0.49  
1 1 1 49 4  13 o 6.2971  0.3418 7.4225  -69.7000  0.27   -0.16  0.01   -0.01  
1 1 1 49 4  14 o 8.0156  0.3406 ?       ?         1.20   -1.26  -0.16  -0.00  
1 1 1 49 4  15 o 4.0249  0.9585 ?       ?         1.23   -0.51  -0.06  -0.01  
1 1 1 49 4  16 o 3.5929  0.5376 ?       ?         0.07   0.36   -0.00  0.01   
1 1 1 49 4  17 o 5.4212  0.7276 ?       ?         0.24   0.74   -0.01  -0.01  
1 1 1 49 4  18 o 2.6931  0.7718 ?       ?         0.17   -0.27  -0.00  -0.00  
1 1 1 49 4  19 f 4.4508  1.4793 ?       ?         -0.51  0.41   -0.00  -0.00  
1 1 1 49 5  0  o 6.8044  0.3157 6.6289  180.000   0.16   0.00   0.00   0.00   
1 1 1 49 5  1  o 2.4164  0.4877 3.9057  -95.2000  -0.12  -0.37  -0.21  -0.00  
1 1 1 49 5  2  o 5.2891  0.2765 6.7701  -174.4000 -0.27  0.48   -0.03  0.06   
1 1 1 49 5  3  o 8.0290  0.2008 6.7385  136.100   -0.92  0.41   -0.22  -0.11  
1 1 1 49 5  4  o 4.4271  0.3468 3.7044  -35.3000  0.43   -0.40  -0.06  0.03   
1 1 1 49 5  5  o 12.075  0.1698 11.861  -70.4000  0.71   -1.00  0.16   -0.40  
1 1 1 49 5  6  o 11.163  0.1820 12.938  21.200    0.66   -1.90  -0.26  0.43   
1 1 1 49 5  7  o 8.4269  0.2017 7.6283  29.300    0.76   0.39   0.26   0.16   
1 1 1 49 5  8  o 4.0999  0.3606 3.5183  -13.0000  -0.03  0.25   -0.03  -0.02  
1 1 1 49 5  9  o 0.0000  1.6429 ?       ?         0.00   0.09   -0.01  -0.01  
1 1 1 49 5  10 o 7.8474  0.2616 8.5948  122.900   -0.11  0.67   -0.04  -0.08  
1 1 1 49 5  11 o 4.9435  0.3683 5.1659  73.200    0.64   0.08   0.10   -0.01  
1 1 1 49 5  12 o 4.9840  0.3816 5.0380  -74.9000  -0.49  -0.33  0.00   0.06   
1 1 1 49 5  13 o 3.1583  0.5939 3.9251  -18.9000  0.24   0.42   -0.02  -0.01  
1 1 1 49 5  14 o 2.5635  0.6363 ?       ?         0.10   0.28   -0.01  0.01   
1 1 1 49 5  15 f 7.1612  0.3413 ?       ?         -0.04  1.63   -0.03  -0.12  
1 1 1 49 5  16 o 7.3443  0.3345 ?       ?         -0.83  -0.87  -0.03  0.03   
1 1 1 49 5  17 o 5.5496  0.8628 ?       ?         -1.10  -1.37  0.06   0.00   
1 1 1 49 5  18 o 0.0000  2.0432 ?       ?         0.09   0.21   -0.00  0.00   
1 1 1 49 5  19 o 3.6700  1.5869 ?       ?         -0.97  -0.05  -0.00  0.02   
1 1 1 49 6  0  o 13.795  0.2036 14.015  180.000   -0.58  0.00   0.00   0.00   
1 1 1 49 6  1  o 13.198  0.2125 14.209  8.5000    0.86   1.19   -0.16  -0.15  
1 1 1 49 6  2  o 3.1937  0.3830 1.5086  7.7000    0.13   -0.15  -0.00  -0.05  
1 1 1 49 6  3  o 5.0153  0.5124 3.8949  175.400   -1.94  1.30   0.03   0.31   
1 1 1 49 6  4  o 9.9994  0.1796 9.8381  -33.3000  0.63   -1.16  -0.24  0.20   
1 1 1 49 6  5  o 3.4703  0.4231 3.2400  -42.5000  0.18   0.31   -0.05  -0.02  
1 1 1 49 6  6  o 8.6835  0.2058 7.8598  -94.2000  -0.57  -1.27  -0.19  0.69   
1 1 1 49 6  7  o 4.1336  0.3444 3.9079  -42.0000  0.08   0.05   -0.00  0.00   
1 1 1 49 6  8  o 5.1271  0.2935 3.8096  103.500   0.71   -0.09  -0.05  -0.08  
1 1 1 49 6  9  o 2.4576  0.5394 1.7487  -22.1000  0.19   -0.41  -0.06  0.04   
1 1 1 49 6  10 o 6.6673  0.2960 7.6364  -19.7000  0.58   -0.08  0.08   -0.02  
1 1 1 49 6  11 o 4.6432  0.3967 4.6348  -10.9000  0.82   -0.18  0.06   0.07   
1 1 1 49 6  12 f 6.7124  0.3398 6.4172  67.400    0.70   1.53   0.16   0.13   
1 1 1 49 6  13 o 6.8332  0.3170 8.7745  56.600    -0.03  0.34   -0.01  -0.01  
1 1 1 49 6  14 o 5.9842  0.4122 ?       ?         0.22   0.70   0.01   0.02   
1 1 1 49 6  15 o 4.5329  0.7427 ?       ?         1.33   0.04   -0.02  0.06   
1 1 1 49 6  16 o 4.2562  0.8817 ?       ?         0.07   0.22   -0.00  -0.00  
1 1 1 49 6  17 o 5.2855  0.4379 ?       ?         1.05   0.22   0.02   0.04   
1 1 1 49 6  18 o 3.1528  1.5751 ?       ?         -0.03  0.16   -0.00  0.00   
1 1 1 49 6  19 o 3.0792  0.6927 ?       ?         0.06   -0.61  -0.00  -0.00  
1 1 1 49 7  0  o 1.8708  0.7397 1.8151  -180.0000 0.08   0.00   0.00   0.00   
1 1 1 49 7  1  o 8.2018  0.3211 7.4738  94.200    -0.80  -0.47  -0.06  -0.02  
1 1 1 49 7  2  o 6.9082  0.2307 7.1031  -94.2000  0.85   0.07   -0.08  0.10   
1 1 1 49 7  3  o 5.7571  0.3135 5.8816  105.900   0.42   0.90   -0.00  -0.11  
1 1 1 49 7  4  o 9.0280  0.2680 8.8053  -145.0000 -3.61  -0.30  -0.54  -1.00  
1 1 1 49 7  5  o 13.394  0.1622 13.039  -94.8000  -0.46  -2.82  -0.08  1.49   
1 1 1 49 7  6  o 5.9664  0.2847 5.9325  -1.1000   0.38   0.14   0.07   0.01   
1 1 1 49 7  7  o 4.8365  0.8484 4.4374  27.200    -0.31  2.46   0.17   -0.04  
1 1 1 49 7  8  o 11.622  0.3301 11.345  59.300    -1.65  0.19   -0.04  0.13   
1 1 1 49 7  9  o 6.3358  0.2955 7.3618  137.900   -0.06  0.67   -0.06  0.07   
1 1 1 49 7  10 o 2.4643  0.6143 1.5641  -102.1000 -0.23  0.30   0.03   0.00   
1 1 1 49 7  11 o 7.4119  0.2734 8.5868  -35.6000  0.12   -0.19  -0.01  -0.00  
1 1 1 49 7  12 o 1.5892  0.7422 0.5582  -135.1000 0.35   -0.25  0.05   -0.05  
1 1 1 49 7  13 o 6.1464  0.3343 5.7063  176.100   -0.16  0.10   -0.00  -0.00  
1 1 1 49 7  14 o 3.0181  0.5838 ?       ?         -0.45  0.02   0.02   0.01   
1 1 1 49 7  15 o 3.2030  0.6068 ?       ?         0.23   -0.12  -0.00  -0.00  
1 1 1 49 7  16 o 8.3714  0.3036 ?       ?         -0.57  0.06   0.00   -0.01  
1 1 1 49 7  17 o 4.2006  0.8184 ?       ?         0.97   -0.06  0.00   0.03   
1 1 1 49 7  18 o 4.2281  0.6329 ?       ?         0.90   0.18   0.01   -0.00  
1 1 1 49 7  19 o 4.0793  1.8762 ?       ?         1.06   -0.99  -0.03  -0.01  
1 1 1 49 8  0  o 3.6742  0.4990 3.9162  -180.0000 -0.14  0.00   0.00   0.00   
1 1 1 49 8  1  o 2.5305  0.4741 1.5212  -80.8000  -0.58  0.12   -0.03  0.07   
1 1 1 49 8  2  o 6.8727  0.2322 5.6095  -77.1000  0.20   -0.36  0.05   -0.04  
1 1 1 49 8  3  o 5.5786  0.2667 5.2812  165.800   -0.19  -1.24  0.23   0.23   
1 1 1 49 8  4  o 11.360  0.1651 12.158  128.300   -0.62  2.47   -2.17  -0.76  
1 1 1 49 8  5  o 5.4992  0.2882 5.9766  171.700   -0.21  -0.21  0.03   0.02   
1 1 1 49 8  6  o 4.4141  0.5272 4.4935  -44.8000  0.81   -1.20  -0.04  0.13   
1 1 1 49 8  7  o 7.8111  0.3221 7.0803  -81.8000  -0.91  -1.09  0.10   -0.07  
1 1 1 49 8  8  o 11.113  0.3084 10.710  15.100    0.20   -1.61  0.09   -0.11  
1 1 1 49 8  9  o 2.4117  1.1189 1.5439  47.100    -0.83  0.09   -0.08  -0.05  
1 1 1 49 8  10 o 8.0753  0.3498 7.8058  144.200   0.75   1.65   0.18   0.09   
1 1 1 49 8  11 o 1.8985  0.9032 1.0110  -141.2000 0.08   -0.40  0.03   -0.03  
1 1 1 49 8  12 o 8.6876  0.2584 9.1917  -122.1000 1.96   -1.26  -0.30  -0.23  
1 1 1 49 8  13 o 5.0123  0.5886 4.2386  10.0000   -0.22  -0.69  0.02   0.01   
1 1 1 49 8  14 o 5.5410  0.3491 ?       ?         0.75   0.66   -0.02  0.08   
1 1 1 49 8  15 o 4.2502  0.4960 ?       ?         0.46   0.23   -0.00  0.01   
1 1 1 49 8  16 o 4.0015  0.5425 ?       ?         -0.45  -0.26  0.00   0.01   
1 1 1 49 8  17 o 4.3339  0.4321 ?       ?         0.59   -0.90  0.03   -0.04  
1 1 1 49 8  18 o 4.9936  0.5977 ?       ?         -0.97  0.86   0.01   -0.01  
1 1 1 49 8  19 o 4.2533  0.7192 ?       ?         -0.05  -0.40  -0.00  -0.00  
1 1 1 49 9  0  o 6.2929  0.3245 8.0705  180.000   -0.03  0.00   0.00   0.00   
1 1 1 49 9  1  o 8.6226  0.1877 7.5319  -163.1000 -0.18  -0.25  -0.01  0.05   
1 1 1 49 9  2  o 6.8478  0.2235 8.0078  8.8000    -0.15  1.27   0.07   0.28   
1 1 1 49 9  3  o 4.9331  0.3564 4.2640  -72.2000  -0.77  -0.23  -0.07  0.01   
1 1 1 49 9  4  o 7.5371  0.2218 6.5454  -26.9000  -0.54  -0.14  0.13   -0.04  
1 1 1 49 9  5  o 3.4316  0.4201 3.2295  109.200   -0.16  0.51   0.05   -0.06  
1 1 1 49 9  6  o 10.672  0.1818 10.602  108.900   0.38   2.38   -0.50  -0.87  
1 1 1 49 9  7  o 5.2762  0.4747 5.1230  177.500   -0.78  2.06   0.26   0.02   
1 1 1 49 9  8  o 5.1550  0.3188 3.8711  80.300    0.42   0.23   -0.03  0.02   
1 1 1 49 9  9  o 4.7385  0.5385 4.1554  -133.6000 -0.16  0.53   0.00   0.02   
1 1 1 49 9  10 o 5.5370  0.3280 7.1417  173.600   -0.71  0.32   0.05   0.05   
1 1 1 49 9  11 o 5.6888  0.5226 5.8333  120.800   -0.83  -0.51  0.03   -0.04  
1 1 1 49 9  12 o 8.0838  0.2775 6.8366  127.800   0.37   1.61   0.07   0.18   
1 1 1 49 9  13 o 3.4344  0.5430 3.0911  158.300   0.77   -0.09  -0.01  -0.06  
1 1 1 49 9  14 o 2.4383  0.6817 ?       ?         -0.09  -0.03  0.00   0.00   
1 1 1 49 9  15 o 3.9197  0.5369 ?       ?         1.09   -0.32  0.06   -0.01  
1 1 1 49 9  16 o 0.0000  1.8795 ?       ?         0.08   -0.49  -0.03  -0.01  
1 1 1 49 9  17 o 4.2887  0.5674 ?       ?         0.28   -0.05  0.00   -0.00  
1 1 1 49 9  18 o 4.4536  0.6439 ?       ?         -0.08  0.07   -0.00  -0.00  
1 1 1 49 9  19 o 0.0000  2.5495 ?       ?         0.51   0.54   -0.00  0.01   
1 1 1 49 10 0  f 2.6833  0.5970 4.2057  -0.0000   0.07   0.00   0.00   0.00   
1 1 1 49 10 1  o 9.7319  0.1776 8.2771  91.000    -0.59  -0.45  -0.13  0.06   
1 1 1 49 10 2  o 8.4731  0.2005 6.8259  -38.2000  -0.18  0.51   -0.03  -0.12  
1 1 1 49 10 3  o 11.131  0.1636 12.516  -55.4000  1.33   -1.13  0.14   -1.12  
1 1 1 49 10 4  o 4.7489  0.3159 3.9070  -142.5000 -0.09  0.41   -0.11  -0.06  
1 1 1 49 10 5  o 9.5867  0.1873 11.324  -19.3000  0.82   -0.95  0.29   -0.08  
1 1 1 49 10 6  o 8.1192  0.2192 8.2310  67.000    0.70   0.55   0.20   0.07   
1 1 1 49 10 7  o 7.5496  0.2388 7.7104  -20.3000  0.34   -0.18  0.03   -0.05  
1 1 1 49 10 8  o 8.3641  0.2184 8.7310  81.300    0.15   0.88   -0.04  -0.10  
1 1 1 49 10 9  o 7.7510  0.2424 8.4490  131.700   -0.41  1.07   -0.27  -0.03  
1 1 1 49 10 10 o 6.6891  0.2763 6.1176  -102.6000 0.21   0.02   0.00   -0.01  
1 1 1 49 10 11 o 4.7974  0.4151 4.6716  -149.6000 -1.00  -0.03  -0.01  -0.08  
1 1 1 49 10 12 o 3.2746  0.5228 2.0664  158.100   0.01   -0.04  -0.00  0.00   
1 1 1 49 10 13 o 1.7506  0.8608 2.1417  -35.1000  0.26   -0.03  0.01   0.01   
1 1 1 49 10 14 o 3.0577  0.5726 ?       ?         -0.10  -0.21  0.00   0.01   
1 1 1 49 10 15 o 1.8510  0.8161 ?       ?         -0.30  -0.05  0.01   0.00   
1 1 1 49 10 16 o 0.0000  1.9035 ?       ?         0.03   -0.27  -0.01  -0.00  
1 1 1 49 10 17 o 3.2352  0.6745 ?       ?         0.03   0.30   -0.00  -0.00  
1 1 1 49 10 18 o 6.1419  1.2033 ?       ?         -1.56  -0.97  -0.03  -0.00  
1 1 1 49 11 0  o 3.5355  0.5350 4.0240  180.000   -0.36  0.00   0.00   0.00   
1 1 1 49 11 1  o 8.1389  0.2085 7.4201  86.200    0.83   0.99   -0.47  0.60   
1 1 1 49 11 2  o 7.2416  0.2117 6.2811  23.500    -1.13  0.82   0.18   0.22   
1 1 1 49 11 3  o 14.481  0.1483 14.209  -84.4000  0.06   -2.10  -0.59  -0.68  
1 1 1 49 11 4  o 10.198  0.1732 10.354  -75.9000  1.18   -0.01  0.40   0.16   
1 1 1 49 11 5  o 7.8402  0.2222 5.9772  39.100    0.54   1.14   0.24   0.29   
1 1 1 49 11 6  o 8.7018  0.1966 7.5019  -40.0000  -0.15  -0.42  -0.06  0.04   
1 1 1 49 11 7  o 5.5517  0.3264 7.6466  -114.9000 0.44   -0.95  -0.28  -0.05  
1 1 1 49 11 8  o 7.7209  0.3480 8.5867  -83.5000  -1.52  -1.79  -0.26  -0.23  
1 1 1 49 11 9  o 4.1844  0.6421 3.4162  118.000   -0.36  -0.38  0.01   -0.01  
1 1 1 49 11 10 o 1.2673  0.7228 0.9067  -25.3000  0.27   0.01   0.02   0.03   
1 1 1 49 11 11 o 2.7262  0.5385 2.8645  -113.7000 -0.24  0.07   -0.01  -0.01  
1 1 1 49 11 12 o 3.0981  0.5373 4.5526  -139.0000 0.17   0.01   0.00   0.00   
1 1 1 49 11 13 o 3.9040  1.0235 2.8387  -139.9000 -0.37  -0.32  -0.01  -0.01  
1 1 1 49 11 14 o 2.8677  0.6055 ?       ?         -0.00  0.14   -0.00  -0.00  
1 1 1 49 11 15 o 3.9354  1.3767 ?       ?         0.55   -0.12  -0.00  0.01   
1 1 1 49 11 16 o 1.8544  0.8883 ?       ?         -0.10  0.06   0.00   -0.00  
1 1 1 49 11 17 o 3.4019  0.6950 ?       ?         0.60   -0.09  0.01   0.00   
1 1 1 49 11 18 o 5.0314  0.5678 ?       ?         -0.36  -0.03  0.00   -0.00  
1 1 1 49 12 0  o 6.6633  0.3218 8.9492  -0.0000   0.06   0.00   0.00   0.00   
1 1 1 49 12 1  o 1.7219  0.5575 0.9272  -94.1000  -0.38  0.25   0.14   0.09   
1 1 1 49 12 2  o 7.1624  0.2188 6.2078  118.800   -0.69  0.38   0.16   -0.32  
1 1 1 49 12 3  o 8.7888  0.1881 9.4798  130.700   0.43   1.39   -0.15  -0.32  
1 1 1 49 12 4  o 3.3397  0.4034 4.7885  171.100   -0.29  -0.24  -0.05  0.03   
1 1 1 49 12 5  o 2.3885  0.8558 2.3857  121.800   0.37   0.20   0.00   -0.03  
1 1 1 49 12 6  o 4.3029  0.3480 2.8493  -23.5000  1.55   -0.87  0.41   0.43   
1 1 1 49 12 7  f 5.4142  0.3133 4.7700  64.100    0.03   -0.31  -0.02  -0.02  
1 1 1 49 12 8  o 1.1363  0.7571 1.3541  -20.6000  -0.21  0.08   0.00   0.02   
1 1 1 49 12 9  o 1.5734  0.7361 1.4649  -55.0000  0.16   -0.31  0.04   -0.04  
1 1 1 49 12 10 o 1.8879  0.6896 2.3691  -75.4000  -0.12  -0.32  0.01   0.04   
1 1 1 49 12 11 o 6.1941  0.4922 6.9137  -153.9000 -0.52  -2.10  0.17   0.13   
1 1 1 49 12 12 o 6.0326  0.3465 5.9984  80.600    -0.30  0.30   0.00   -0.02  
1 1 1 49 12 13 o 4.1747  0.4647 ?       ?         0.02   -0.55  -0.02  0.01   
1 1 1 49 12 14 o 5.8076  0.4695 ?       ?         -0.50  -0.14  -0.00  0.01   
1 1 1 49 12 15 o 2.2806  0.7384 ?       ?         0.18   -0.35  -0.01  -0.01  
1 1 1 49 12 16 o 2.5230  1.2155 ?       ?         -0.31  -0.01  0.00   -0.01  
1 1 1 49 12 17 o 1.5596  1.0124 ?       ?         -0.58  0.08   0.02   0.00   
1 1 1 49 12 18 o 4.0786  0.6725 ?       ?         0.31   -1.04  -0.01  -0.01  
1 1 1 49 13 0  o 1.2247  0.8481 0.7617  180.000   -0.04  0.00   0.00   0.00   
1 1 1 49 13 1  o 2.0680  0.5649 2.5887  -169.9000 0.13   0.10   -0.01  -0.00  
1 1 1 49 13 2  o 6.4880  0.2283 5.9794  -97.5000  -1.31  -0.12  -0.03  0.50   
1 1 1 49 13 3  o 13.849  0.1524 14.228  -119.6000 -1.32  -0.39  0.27   -0.11  
1 1 1 49 13 4  o 9.5858  0.1964 10.105  -31.6000  -0.18  -3.12  0.21   -1.14  
1 1 1 49 13 5  o 6.0815  0.2649 6.8980  -6.5000   0.68   0.13   0.10   -0.10  
1 1 1 49 13 6  o 3.3435  0.5649 4.1688  -108.6000 0.15   -0.35  -0.00  0.01   
1 1 1 49 13 7  o 4.8447  0.3513 4.6289  -62.6000  0.99   -0.10  0.11   -0.23  
1 1 1 49 13 8  o 5.7075  0.2586 4.8751  165.900   -0.70  0.27   0.17   0.00   
1 1 1 49 13 9  o 2.1083  0.5818 2.7752  -86.9000  -0.14  0.03   -0.00  -0.01  
1 1 1 49 13 10 o 2.6370  0.5825 4.4668  -48.9000  0.28   -0.21  -0.02  -0.00  
1 1 1 49 13 11 f 6.3190  0.3130 6.7952  -53.3000  0.97   0.18   0.09   -0.05  
1 1 1 49 13 12 o 0.0000  1.7173 ?       ?         -0.09  0.08   0.00   -0.01  
1 1 1 49 13 13 o 6.5975  0.4741 ?       ?         -0.79  -0.67  0.04   -0.00  
1 1 1 49 13 14 o 5.5380  0.5892 ?       ?         1.08   -0.05  0.01   0.04   
1 1 1 49 13 15 o 5.1204  0.5406 ?       ?         -1.06  -0.75  0.04   -0.00  
1 1 1 49 13 16 o 3.2631  0.7059 ?       ?         -0.29  0.43   -0.00  -0.01  
1 1 1 49 13 17 o 0.0000  2.0388 ?       ?         -0.18  -0.33  -0.01  0.01   
1 1 1 49 13 18 o 2.7528  0.9085 ?       ?         -0.56  0.33   0.00   -0.01  
1 1 1 49 14 0  o 6.6708  0.3282 4.7694  180.000   -0.10  0.00   0.00   0.00   
1 1 1 49 14 1  o 2.3884  0.4919 0.6710  112.800   0.62   0.03   -0.06  0.08   
1 1 1 49 14 2  o 6.3517  0.2344 5.2735  -161.1000 0.23   -1.00  0.10   -0.29  
1 1 1 49 14 3  o 3.6546  0.4571 3.7245  -142.9000 0.26   0.80   0.01   -0.06  
1 1 1 49 14 4  o 3.2263  0.7972 3.0347  -92.0000  1.57   -0.18  -0.15  -0.05  
1 1 1 49 14 5  o 11.137  0.2180 10.170  -114.2000 -1.45  -2.22  0.58   0.05   
1 1 1 49 14 6  o 5.5298  0.2876 6.2983  160.300   -0.63  0.67   0.15   -0.20  
1 1 1 49 14 7  o 4.2467  0.3651 3.3460  -145.1000 -0.71  -0.28  -0.08  0.08   
1 1 1 49 14 8  o 3.1356  0.7000 3.8307  -132.0000 -0.48  -0.38  0.02   -0.03  
1 1 1 49 14 9  o 3.6056  0.4066 2.9221  -44.3000  1.21   -0.48  -0.18  -0.12  
1 1 1 49 14 10 o 10.773  0.1989 10.262  135.500   -2.39  0.43   0.32   -0.47  
1 1 1 49 14 11 o 2.8187  1.2926 2.8711  11.200    0.02   -0.17  0.00   -0.00  
1 1 1 49 14 12 f 3.6131  0.5040 3.9549  -19.9000  -0.01  0.07   -0.00  -0.00  
1 1 1 49 14 13 o 0.0000  1.7521 ?       ?         -0.01  0.15   -0.00  -0.01  
1 1 1 49 14 14 o 2.4231  1.1009 ?       ?         0.37   -0.34  -0.02  -0.01  
1 1 1 49 14 15 o 6.9994  0.3465 ?       ?         -0.21  -0.93  -0.03  0.01   
1 1 1 49 14 16 o 6.9029  0.4118 ?       ?         -0.51  2.10   -0.09  -0.05  
1 1 1 49 14 17 o 3.0469  1.3821 ?       ?         0.79   0.78   -0.03  0.02   
1 1 1 49 14 18 o 1.3356  1.2610 ?       ?         0.35   -0.09  0.00   -0.00  
1 1 1 49 15 0  o 3.3764  0.5424 3.6467  0.0000    0.38   0.00   0.00   0.00   
1 1 1 49 15 1  o 8.2336  0.1956 7.3676  -119.4000 0.79   -0.19  0.22   -0.13  
1 1 1 49 15 2  o 2.0333  0.5242 0.7452  -169.7000 -0.10  -0.19  -0.04  0.02   
1 1 1 49 15 3  o 8.4575  0.1991 7.4514  150.200   0.07   0.85   -0.03  0.16   
1 1 1 49 15 4  o 6.3109  0.2457 6.5350  52.000    -0.33  0.62   -0.18  -0.05  
1 1 1 49 15 5  o 8.5696  0.1916 8.5043  3.7000    0.41   -1.18  -0.29  -0.45  
1 1 1 49 15 6  o 9.3064  0.3853 9.0223  5.7000    1.80   -2.27  0.33   0.15   
1 1 1 49 15 7  o 5.9666  0.4073 6.3054  123.200   1.80   0.21   -0.15  0.14   
1 1 1 49 15 8  o 8.3612  0.3086 8.3499  123.100   -1.13  1.82   0.27   0.00   
1 1 1 49 15 9  o 4.9450  0.2957 7.4512  2.8000    0.13   0.59   -0.02  -0.04  
1 1 1 49 15 10 o 5.0143  0.3576 4.3101  -157.0000 -0.45  -0.50  0.04   0.03   
1 1 1 49 15 11 o 4.2624  0.4678 2.8816  -78.4000  -0.04  -0.52  -0.00  -0.02  
1 1 1 49 15 12 o 7.9192  0.5049 8.4996  -106.2000 1.09   -1.40  -0.08  0.05   
1 1 1 49 15 13 o 9.6493  0.5314 ?       ?         -1.69  1.26   -0.09  -0.02  
1 1 1 49 15 14 o 2.0447  0.8156 ?       ?         -0.19  0.19   0.00   -0.00  
1 1 1 49 15 15 o 3.4726  0.6492 ?       ?         -0.08  0.56   -0.01  -0.00  
1 1 1 49 15 16 o 4.3121  0.5253 ?       ?         -0.51  0.34   0.01   -0.01  
1 1 1 49 15 17 o 3.2854  0.8977 ?       ?         -0.19  -0.34  -0.00  0.00   
1 1 1 49 15 18 o 2.7551  1.2772 ?       ?         0.31   -0.01  0.00   0.00   
1 1 1 49 16 0  o 1.6432  0.7796 0.6263  -0.0000   -0.09  0.00   0.00   0.00   
1 1 1 49 16 1  f 3.9004  0.3477 4.5127  -165.7000 -0.46  -1.19  -0.10  -0.26  
1 1 1 49 16 2  o 6.0961  0.2894 5.8043  -137.6000 -0.35  -1.14  0.01   -0.12  
1 1 1 49 16 3  o 4.4595  0.3122 2.1898  -108.3000 1.05   0.38   -0.14  0.04   
1 1 1 49 16 4  o 9.0780  0.1954 8.2899  -81.7000  0.54   0.64   -0.14  0.04   
1 1 1 49 16 5  o 2.9730  0.7789 2.5048  -52.1000  0.12   -0.57  0.01   0.02   
1 1 1 49 16 6  f 3.6471  0.3957 1.6462  169.300   -0.39  -0.00  0.05   0.02   
1 1 1 49 16 7  o 2.9554  0.4829 3.1103  156.300   -0.28  -0.13  0.02   -0.01  
1 1 1 49 16 8  o 3.8876  0.3758 3.1845  16.500    0.20   0.00   0.01   0.00   
1 1 1 49 16 9  o 3.2306  0.4177 3.8994  14.900    -0.68  -0.15  0.04   -0.07  
1 1 1 49 16 10 o 6.6732  0.2991 7.4044  -104.9000 0.73   -0.41  -0.04  -0.04  
1 1 1 49 16 11 o 9.1757  0.2516 9.0742  -38.2000  2.76   -1.03  0.61   -0.29  
1 1 1 49 16 12 o 2.1202  0.6768 ?       ?         0.17   -0.06  0.00   -0.01  
1 1 1 49 16 13 o 5.9314  0.3626 ?       ?         -0.66  -0.24  0.03   0.00   
1 1 1 49 16 14 o 2.5065  0.7668 ?       ?         0.36   0.20   0.01   0.00   
1 1 1 49 16 15 o 3.3037  0.6715 ?       ?         0.04   0.08   -0.00  0.00   
1 1 1 49 16 16 o 2.4783  1.1111 ?       ?         0.34   0.63   -0.02  0.00   
1 1 1 49 16 17 o 4.5935  0.9029 ?       ?         1.40   -0.49  0.01   0.01   
1 1 1 49 17 0  o 9.9599  0.2353 7.6978  -0.0000   0.50   0.00   0.00   0.00   
1 1 1 49 17 1  f 4.3026  0.5789 3.7861  14.300    1.45   -1.71  -0.09  0.21   
1 1 1 49 17 2  o 2.8257  0.4228 2.6485  -54.0000  0.20   0.25   0.02   0.05   
1 1 1 49 17 3  o 12.564  0.1510 11.474  82.700    -0.40  -1.08  -0.24  -0.04  
1 1 1 49 17 4  o 9.9952  0.2621 10.635  166.100   -0.32  1.01   0.06   -0.05  
1 1 1 49 17 5  o 4.3407  0.3344 4.6130  -144.4000 0.01   -0.09  -0.00  -0.00  
1 1 1 49 17 6  o 6.6445  0.2515 6.2737  123.200   -1.03  -0.09  0.07   -0.15  
1 1 1 49 17 7  o 5.9626  0.2884 5.5460  -160.8000 -1.45  0.27   -0.01  -0.31  
1 1 1 49 17 8  o 7.1170  0.2273 7.9299  -39.4000  1.13   -0.18  0.06   0.14   
1 1 1 49 17 9  o 2.5967  0.5065 1.5257  -92.1000  -0.09  -0.06  0.00   0.00   
1 1 1 49 17 10 o 6.1660  0.3742 6.2509  174.100   -0.44  -1.50  0.09   0.11   
1 1 1 49 17 11 o 4.3573  0.4109 4.8396  148.200   -0.02  0.14   -0.00  0.00   
1 1 1 49 17 12 o 2.7617  0.6249 ?       ?         0.58   0.14   0.03   -0.02  
1 1 1 49 17 13 o 5.9345  0.3583 ?       ?         1.14   0.19   0.06   0.05   
1 1 1 49 17 14 o 5.4429  0.4355 ?       ?         -0.10  -0.30  -0.00  0.00   
1 1 1 49 17 15 o 4.4386  1.1361 ?       ?         0.33   -1.27  0.02   -0.03  
1 1 1 49 17 16 o 1.1887  1.0956 ?       ?         0.18   -0.85  -0.03  -0.01  
1 1 1 49 17 17 o 3.9177  1.1202 ?       ?         -0.42  -0.10  0.00   -0.00  
1 1 1 49 18 0  o 3.1464  0.5362 2.3441  180.000   -0.17  0.00   0.00   0.00   
1 1 1 49 18 1  o 4.9442  0.2711 5.1798  -72.1000  0.15   -0.80  -0.19  -0.26  
1 1 1 49 18 2  o 3.6475  0.3581 5.0570  -104.5000 -0.05  -0.75  0.01   0.12   
1 1 1 49 18 3  o 2.3496  0.4916 1.8159  -117.1000 0.12   -0.30  -0.03  -0.05  
1 1 1 49 18 4  o 2.2191  0.5189 3.6151  170.000   -0.13  0.36   -0.03  -0.08  
1 1 1 49 18 5  o 0.0000  1.4404 ?       ?         0.11   0.04   -0.00  0.01   
1 1 1 49 18 6  o 3.6267  0.3983 3.5073  160.600   0.25   -0.18  -0.01  -0.02  
1 1 1 49 18 7  o 0.1880  0.5639 0.9973  -51.3000  0.03   0.01   -0.00  0.00   
1 1 1 49 18 8  o 6.3185  0.2450 6.9394  -147.8000 -0.38  0.20   -0.00  -0.03  
1 1 1 49 18 9  o 5.0407  0.6815 3.8535  -178.9000 0.07   1.27   0.03   -0.05  
1 1 1 49 18 10 o 6.4117  0.3041 5.8775  92.800    1.00   1.20   0.14   0.03   
1 1 1 49 18 11 o 7.9918  0.2570 8.5460  54.900    -0.71  1.10   -0.11  -0.02  
1 1 1 49 18 12 f 5.1239  0.3945 ?       ?         0.55   0.38   0.02   0.01   
1 1 1 49 18 13 o 1.9781  0.9534 ?       ?         0.46   0.02   0.01   -0.02  
1 1 1 49 18 14 o 2.1107  0.9487 ?       ?         0.10   0.17   -0.00  0.00   
1 1 1 49 18 15 o 0.0000  2.2439 ?       ?         -0.26  0.27   -0.00  -0.01  
1 1 1 49 18 16 o 3.4174  1.5651 ?       ?         -0.25  -0.72  -0.00  -0.00  
1 1 1 49 18 17 o 3.5477  1.0978 ?       ?         0.37   -0.10  0.00   -0.00  
1 1 1 49 19 0  o 7.6026  0.2606 6.4598  180.000   -1.25  0.00   0.00   0.00   
1 1 1 49 19 1  o 9.0121  0.1788 9.0160  177.000   -1.16  0.29   -0.09  -0.14  
1 1 1 49 19 2  o 2.6446  0.4198 1.4835  -36.2000  -0.13  -0.03  0.01   -0.00  
1 1 1 49 19 3  o 10.404  0.1617 10.588  -34.6000  0.73   -0.47  0.11   -0.07  
1 1 1 49 19 4  o 1.5056  0.6032 1.2864  -151.9000 0.08   0.17   -0.02  -0.01  
1 1 1 49 19 5  o 9.9595  0.1753 11.309  124.500   -0.84  0.78   0.16   -0.09  
1 1 1 49 19 6  o 7.7111  0.4196 7.9639  -81.1000  0.56   -0.22  0.00   0.01   
1 1 1 49 19 7  o 6.5775  0.2864 6.3864  146.200   -2.11  0.40   0.03   0.37   
1 1 1 49 19 8  o 1.9545  0.5812 2.1772  -72.6000  0.16   -0.25  0.02   -0.02  
1 1 1 49 19 9  o 2.9210  0.4476 3.2806  -108.6000 -0.18  -0.39  0.02   0.02   
1 1 1 49 19 10 o 7.3696  0.2457 8.4998  171.600   -1.23  0.57   0.04   -0.19  
1 1 1 49 19 11 f 2.0140  0.9774 ?       ?         0.04   -0.07  0.00   -0.00  
1 1 1 49 19 12 o 4.6236  0.6566 ?       ?         1.09   0.43   0.03   -0.03  
1 1 1 49 19 13 o 4.7661  0.5025 ?       ?         -0.02  -0.52  -0.00  -0.00  
1 1 1 49 19 14 o 1.8293  1.0315 ?       ?         0.04   -0.38  -0.00  0.00   
1 1 1 49 19 15 o 2.7661  0.9385 ?       ?         0.56   0.43   -0.00  0.01   
1 1 1 49 19 16 o 2.1239  1.3301 ?       ?         -0.41  -0.47  -0.00  0.00   
1 1 1 49 19 17 o 4.7237  1.0740 ?       ?         0.48   0.28   0.00   -0.00  
1 1 1 49 20 0  o 2.8107  0.7606 2.9567  -180.0000 0.01   0.00   0.00   0.00   
1 1 1 49 20 1  o 0.0000  1.4642 ?       ?         -0.33  0.46   0.11   0.05   
1 1 1 49 20 2  o 2.2286  0.9860 3.0844  125.200   -0.49  -0.32  0.06   -0.06  
1 1 1 49 20 3  o 3.6844  0.4683 4.4447  -21.6000  0.14   -0.02  -0.00  -0.00  
1 1 1 49 20 4  o 2.6464  0.4364 2.7966  161.500   -0.57  0.25   -0.07  -0.08  
1 1 1 49 20 5  o 6.8013  0.2269 8.2436  96.600    -0.05  0.83   -0.12  0.05   
1 1 1 49 20 6  o 4.9712  0.2898 3.9347  -32.8000  0.66   0.45   0.12   0.09   
1 1 1 49 20 7  o 5.5564  0.2848 5.6766  117.000   -0.78  0.47   -0.07  -0.05  
1 1 1 49 20 8  o 3.7672  0.6658 2.1603  36.400    0.40   0.43   0.01   -0.01  
1 1 1 49 20 9  o 4.0167  0.3687 3.7093  -39.4000  0.70   -1.13  0.11   -0.05  
1 1 1 49 20 10 o 3.1123  0.4814 3.3584  -71.8000  0.24   0.08   0.00   -0.00  
1 1 1 49 20 11 o 4.9030  0.6551 ?       ?         -0.07  0.79   0.01   -0.02  
1 1 1 49 20 12 o 1.6788  0.8205 ?       ?         -0.09  0.06   0.00   -0.00  
1 1 1 49 20 13 o 1.1902  1.0053 ?       ?         0.10   0.21   -0.00  0.00   
1 1 1 49 20 14 o 0.0000  2.1692 ?       ?         -0.44  -0.03  0.01   0.00   
1 1 1 49 20 15 o 1.8296  1.2149 ?       ?         -0.15  0.04   0.00   -0.00  
1 1 1 49 20 16 o 0.0000  3.7148 ?       ?         -0.15  -1.14  0.00   0.00   
1 1 1 49 20 17 o 3.4496  1.3612 ?       ?         -0.57  -0.73  0.00   0.00   
1 1 1 49 21 0  o 1.6432  0.9249 1.2917  180.000   -0.04  0.00   0.00   0.00   
1 1 1 49 21 1  o 5.3675  0.3911 4.4663  -178.6000 -0.03  0.01   -0.00  -0.00  
1 1 1 49 21 2  f 2.5184  0.5777 1.5935  142.900   -0.04  -0.11  0.00   0.00   
1 1 1 49 21 3  o 7.4991  0.4799 6.6371  -138.5000 -1.63  -1.95  0.17   -0.11  
1 1 1 49 21 4  o 3.3418  0.4029 2.3974  165.400   0.20   -0.49  -0.02  0.03   
1 1 1 49 21 5  o 7.7182  0.1898 6.3266  143.500   -0.45  0.79   -0.06  -0.16  
1 1 1 49 21 6  o 0.7185  0.7034 0.2245  -131.9000 -0.22  -0.08  0.02   -0.02  
1 1 1 49 21 7  o 4.5215  0.3272 6.1088  -81.6000  -0.37  -1.31  -0.09  -0.18  
1 1 1 49 21 8  o 5.1899  0.3137 5.1187  -17.1000  0.29   -0.83  0.02   -0.09  
1 1 1 49 21 9  f 5.3103  0.3155 6.5809  153.000   0.24   0.51   -0.02  -0.01  
1 1 1 49 21 10 o 2.8406  1.3466 1.2936  38.600    0.49   0.57   0.04   -0.01  
1 1 1 49 21 11 o 3.2048  0.6033 ?       ?         -0.15  -0.19  -0.00  0.00   
1 1 1 49 21 12 o 2.6098  0.7549 ?       ?         -0.19  0.35   -0.01  -0.00  
1 1 1 49 21 13 o 2.3341  0.9784 ?       ?         -0.06  -0.64  -0.02  -0.00  
1 1 1 49 21 14 o 3.6282  1.5842 ?       ?         0.43   -0.23  0.01   0.00   
1 1 1 49 21 15 o 4.7225  0.8994 ?       ?         -0.95  0.61   -0.01  -0.01  
1 1 1 49 21 16 o 2.2804  1.5981 ?       ?         -0.04  0.13   0.00   0.00   
1 1 1 49 22 0  o 7.6026  0.3756 7.8273  -0.0000   0.82   0.00   0.00   0.00   
1 1 1 49 22 1  o 5.8525  0.7414 6.0335  142.600   -3.56  -0.42  -0.19  -0.25  
1 1 1 49 22 2  o 7.6675  0.2541 9.3496  61.000    1.13   1.75   0.19   0.56   
1 1 1 49 22 3  o 3.0609  0.5159 3.5454  165.500   0.08   -0.41  -0.01  0.02   
1 1 1 49 22 4  o 1.3444  0.6910 0.5810  -74.0000  -0.29  -0.08  -0.02  0.02   
1 1 1 49 22 5  o 0.6056  0.7004 0.6359  -127.1000 -0.10  -0.17  -0.00  0.03   
1 1 1 49 22 6  o 7.6268  0.1832 8.4646  158.300   -1.16  0.52   -0.03  -0.25  
1 1 1 49 22 7  o 3.9346  0.3597 2.1239  35.400    0.14   -0.24  0.01   -0.00  
1 1 1 49 22 8  o 2.2017  1.0191 2.0511  171.200   -0.42  -0.58  0.07   0.00   
1 1 1 49 22 9  o 3.6790  0.3951 3.7285  -92.4000  0.87   -0.46  0.04   -0.11  
1 1 1 49 22 10 o 2.1954  0.6699 ?       ?         -0.32  0.38   -0.02  -0.02  
1 1 1 49 22 11 o 1.5809  0.8583 ?       ?         -0.07  0.15   -0.00  -0.00  
1 1 1 49 22 12 f 2.8276  0.7753 ?       ?         -0.08  -0.25  -0.00  0.00   
1 1 1 49 22 13 o 0.0000  2.1369 ?       ?         -0.20  0.11   -0.00  -0.00  
1 1 1 49 22 14 o 3.1445  1.0032 ?       ?         0.06   -0.60  -0.01  -0.00  
1 1 1 49 22 15 o 1.9489  1.1946 ?       ?         -0.52  -0.64  -0.00  0.00   
1 1 1 49 22 16 o 3.5355  1.3950 ?       ?         -0.39  0.37   0.00   0.00   
1 1 1 49 23 0  o 3.6056  0.6488 5.4055  -0.0000   0.47   0.00   0.00   0.00   
1 1 1 49 23 1  o 0.4007  0.7248 2.4283  -15.4000  0.05   0.20   -0.00  0.02   
1 1 1 49 23 2  o 4.1385  0.4035 4.8054  -113.2000 -0.59  -0.83  0.08   0.11   
1 1 1 49 23 3  o 4.8145  0.3586 4.7635  -123.8000 0.23   -0.14  -0.00  -0.01  
1 1 1 49 23 4  o 7.2564  0.3966 7.3838  -56.4000  -0.68  0.38   0.02   0.02   
1 1 1 49 23 5  o 3.2678  0.3549 3.6730  -42.7000  -0.23  -0.98  -0.18  -0.11  
1 1 1 49 23 6  o 2.1614  0.9669 1.6780  15.300    0.18   0.17   0.01   -0.00  
1 1 1 49 23 7  o 5.6838  0.2480 6.3285  -46.9000  0.60   -1.03  0.12   -0.11  
1 1 1 49 23 8  f 4.6710  0.3395 4.1462  140.300   -0.99  -0.08  0.04   0.09   
1 1 1 49 23 9  o 0.6080  0.7734 1.0734  -67.3000  0.08   0.15   -0.01  -0.00  
1 1 1 49 23 10 o 4.9690  0.4220 ?       ?         0.51   0.08   0.01   -0.00  
1 1 1 49 23 11 o 4.1469  1.1051 ?       ?         0.40   -0.02  -0.00  0.01   
1 1 1 49 23 12 o 6.1097  0.6036 ?       ?         -0.69  0.62   0.01   0.00   
1 1 1 49 23 13 f 3.9728  0.7579 ?       ?         -0.76  0.56   0.01   -0.01  
1 1 1 49 23 14 o 4.6690  1.2211 ?       ?         -0.69  0.92   0.00   0.00   
1 1 1 49 23 15 f 5.2915  1.0470 ?       ?         -0.32  0.83   0.00   0.00   
1 1 1 49 23 16 o 5.7965  1.0263 ?       ?         0.22   1.46   0.00   0.00   
1 1 1 49 24 0  o 1.2247  0.9966 1.5313  0.0000    -0.05  0.00   0.00   0.00   
1 1 1 49 24 1  o 5.2480  0.3253 4.5264  -29.5000  0.29   -0.28  0.02   -0.02  
1 1 1 49 24 2  o 0.0000  1.5956 ?       ?         0.09   0.07   0.01   0.00   
1 1 1 49 24 3  o 8.9023  0.2289 9.0477  84.800    -1.36  1.12   -0.07  -0.28  
1 1 1 49 24 4  o 6.0358  0.2934 6.6860  -60.6000  1.00   -1.42  -0.25  0.04   
1 1 1 49 24 5  o 4.1271  0.4328 3.1592  -162.1000 0.75   -0.58  -0.06  -0.02  
1 1 1 49 24 6  o 4.6078  0.2987 3.9970  44.100    0.00   0.32   -0.00  0.01   
1 1 1 49 24 7  o 3.4811  0.4906 4.3722  -88.6000  -0.26  0.03   0.00   -0.00  
1 1 1 49 24 8  o 2.5955  1.0480 2.2497  -118.0000 -0.33  0.05   0.00   0.01   
1 1 1 49 24 9  o 4.6914  0.3978 ?       ?         -0.60  1.08   -0.07  -0.05  
1 1 1 49 24 10 o 8.3993  0.3239 ?       ?         -1.59  -1.45  0.07   0.11   
1 1 1 49 24 11 o 6.8399  0.4367 ?       ?         0.84   -1.41  0.01   -0.02  
1 1 1 49 24 12 o 1.4915  1.2939 ?       ?         -0.10  -0.16  0.00   0.00   
1 1 1 49 24 13 o 4.2779  1.2014 ?       ?         -0.06  -0.45  0.00   0.00   
1 1 1 49 24 14 o 2.8284  1.5113 ?       ?         0.04   -0.54  0.00   0.00   
1 1 1 49 24 15 o 2.3664  1.4964 ?       ?         0.46   0.06   0.00   0.00   
1 1 1 49 25 0  o 0.3162  0.8363 1.2419  -180.0000 -0.02  0.00   0.00   0.00   
1 1 1 49 25 1  o 6.9569  0.2504 7.4849  -125.0000 0.17   -0.87  -0.09  0.02   
1 1 1 49 25 2  o 2.9189  0.6540 4.2910  -93.8000  -0.27  -0.20  -0.01  0.00   
1 1 1 49 25 3  o 3.7308  0.5148 3.7596  111.500   0.29   -0.24  -0.00  -0.01  
1 1 1 49 25 4  o 6.6601  0.3304 6.6659  -68.0000  0.26   -0.61  0.00   -0.03  
1 1 1 49 25 5  o 6.8737  0.6869 6.6910  -10.3000  0.39   0.10   0.00   -0.00  
1 1 1 49 25 6  o 5.3247  1.1123 4.9789  73.300    0.35   0.58   -0.01  -0.01  
1 1 1 49 25 7  o 2.7105  0.5637 2.6779  119.600   -0.11  0.87   -0.07  -0.03  
1 1 1 49 25 8  o 3.9833  1.0314 ?       ?         -0.61  0.29   0.01   0.00   
1 1 1 49 25 9  o 3.6371  0.6707 ?       ?         0.03   0.31   -0.00  0.00   
1 1 1 49 25 10 f 1.6898  1.0101 ?       ?         -0.11  -0.51  -0.00  0.01   
1 1 1 49 25 11 o 1.5492  1.1341 ?       ?         0.17   0.23   0.00   0.00   
1 1 1 49 25 12 f 5.3009  0.9065 ?       ?         -1.04  -0.45  0.00   0.00   
1 1 1 49 25 13 o 4.8990  1.1209 ?       ?         0.34   0.84   0.00   0.00   
1 1 1 49 26 0  o 3.6742  0.8876 4.8203  -180.0000 -0.11  0.00   0.00   0.00   
1 1 1 49 26 1  o 5.0677  0.5135 5.7644  11.500    1.64   -0.47  0.08   -0.11  
1 1 1 49 26 2  o 3.1635  0.6754 4.1843  -130.1000 0.05   -0.70  -0.03  0.03   
1 1 1 49 26 3  o 2.4978  0.9294 2.0436  65.800    -0.14  0.10   0.00   -0.00  
1 1 1 49 26 4  o 5.2203  0.6132 5.2468  -140.3000 -0.45  -0.49  -0.01  0.01   
1 1 1 49 26 5  o 4.0994  0.8371 3.9195  47.700    -0.64  -0.02  0.01   -0.01  
1 1 1 49 26 6  o 6.5144  0.4682 7.5149  -24.4000  1.48   -0.50  0.01   -0.07  
1 1 1 49 26 7  o 3.8171  0.9776 3.8923  -168.4000 -0.13  -0.08  0.00   0.00   
1 1 1 49 26 8  o 2.6680  1.1623 ?       ?         -0.04  -0.06  0.00   0.00   
1 1 1 49 26 9  o 6.0197  0.8352 ?       ?         -1.51  0.86   0.02   0.01   
1 1 1 49 26 10 o 3.1305  0.9089 ?       ?         -0.40  0.04   0.00   0.00   
1 1 1 49 26 11 o 3.6469  0.8743 ?       ?         0.10   0.45   0.00   0.00   
1 1 1 49 27 0  o 2.7019  1.1686 2.8415  180.000   -0.37  0.00   0.00   0.00   
1 1 1 49 27 1  o 1.3475  1.0962 2.4282  -171.1000 -0.15  0.05   0.00   -0.00  
1 1 1 49 27 2  o 5.5869  1.1560 5.3943  101.000   0.08   -0.92  0.01   -0.01  
1 1 1 49 27 3  o 4.9602  0.6483 4.8342  -99.0000  0.20   0.16   0.00   0.00   
1 1 1 49 27 4  o 7.6883  0.8599 8.4659  18.000    3.26   1.39   -0.15  0.12   
1 1 1 49 27 5  o 5.4217  1.1957 5.5179  103.500   0.02   -0.21  0.00   0.00   
1 1 1 49 27 6  o 3.1927  1.0587 4.0442  23.000    -0.09  0.01   0.00   0.00   
1 1 1 49 27 7  o 3.7889  1.7030 ?       ?         -0.91  0.04   0.01   -0.02  
1 1 1 49 27 8  o 2.2680  1.3254 ?       ?         0.07   0.31   -0.00  0.00   
1 1 1 49 27 9  o 0.0000  3.4265 ?       ?         -0.41  -0.07  0.00   0.00   
1 1 1 49 27 10 o 3.7148  1.2441 ?       ?         -1.07  0.76   0.00   0.00   
1 1 1 49 28 0  o 7.6289  0.5716 6.9970  180.000   -1.33  0.00   0.00   0.00   
1 1 1 49 28 1  o 4.2731  0.6490 5.2747  -65.0000  0.03   -1.10  -0.03  0.00   
1 1 1 49 28 2  o 6.5246  0.5173 7.1244  -151.5000 -1.48  -0.66  0.03   0.05   
1 1 1 49 28 3  o 1.6243  1.3200 3.3925  -39.1000  -0.09  -0.04  0.00   0.00   
1 1 1 49 28 4  o 5.0068  0.8209 6.0021  151.600   0.04   0.81   -0.01  0.00   
1 1 1 49 28 5  o 3.0749  1.4621 3.0059  159.600   0.06   0.55   -0.01  -0.01  
1 1 1 49 28 6  o 4.1083  0.9714 ?       ?         0.61   0.29   0.00   0.00   
1 1 1 49 28 7  o 4.8381  1.1224 ?       ?         -0.18  -0.29  -0.00  -0.00  
1 1 1 49 28 8  o 4.1672  2.0203 ?       ?         0.49   0.49   0.00   0.00   
1 1 1 49 28 9  o 2.4588  1.5998 ?       ?         0.76   0.05   0.00   0.00   
1 1 1 49 29 0  o 0.0000  3.7014 1.0450  180.000   -0.08  0.00   0.00   0.00   
1 1 1 49 29 1  o 3.5787  0.9080 3.7701  149.700   -0.28  0.16   0.00   -0.00  
1 1 1 49 29 2  f 3.1182  1.0828 4.2211  140.500   -0.19  0.06   0.00   -0.00  
1 1 1 49 29 3  o 6.4738  1.1963 6.4345  81.500    -0.55  0.60   0.01   -0.00  
1 1 1 49 29 4  o 3.5888  0.9440 ?       ?         -0.42  -0.41  0.00   0.01   
1 1 1 49 29 5  o 4.1397  1.1629 ?       ?         0.07   0.97   -0.01  -0.01  
1 1 1 49 29 6  o 2.4095  1.2456 ?       ?         -0.15  0.42   -0.00  -0.00  
1 1 1 49 29 7  o 0.0000  3.2814 ?       ?         -0.00  -0.31  -0.00  -0.00  
1 1 1 49 29 8  o 5.7459  0.8601 ?       ?         1.02   0.73   -0.01  0.00   
1 1 1 49 30 0  o 0.0000  3.8341 0.7944  -180.0000 0.02   0.00   0.00   0.00   
1 1 1 49 30 1  o 4.7695  0.8088 3.2935  -141.8000 -0.38  -0.15  -0.00  0.00   
1 1 1 49 30 2  o 3.3246  1.5223 ?       ?         0.49   -0.15  0.01   0.00   
1 1 1 49 30 3  o 4.3985  1.0477 ?       ?         0.85   -0.69  0.01   -0.00  
1 1 1 49 30 4  o 3.9616  0.8465 ?       ?         0.32   0.67   -0.01  0.00   
1 1 1 49 30 5  f 6.4735  0.6876 ?       ?         0.19   0.89   -0.00  0.00   
1 1 1 49 30 6  o 7.5885  0.8144 ?       ?         -2.68  0.15   -0.01  -0.03  
1 1 1 49 30 7  o 4.8841  1.2117 ?       ?         -0.25  0.41   0.00   0.00   
1 1 1 49 31 0  o 0.7071  1.5279 ?       ?         0.57   0.00   0.00   0.00   
1 1 1 49 31 1  o 2.4469  1.2695 ?       ?         0.19   0.92   -0.01  0.02   
1 1 1 49 31 2  o 6.2696  0.7294 ?       ?         -1.81  0.05   0.01   -0.00  
1 1 1 49 31 3  o 5.2557  0.9944 ?       ?         0.98   -0.29  0.00   -0.00  
1 1 1 49 31 4  o 4.8655  1.1794 ?       ?         -0.50  0.06   0.00   0.00   
1 1 1 49 31 5  o 4.3067  2.1906 ?       ?         -0.05  0.28   -0.00  0.00   
1 1 1 49 31 6  o 9.2412  1.2439 ?       ?         0.79   -0.39  0.00   0.00   
1 1 1 49 32 0  o 0.0000  4.3474 ?       ?         0.14   0.00   0.00   0.00   
1 1 1 49 32 1  o 6.1836  0.9674 ?       ?         -0.43  0.11   -0.00  -0.00  
1 1 1 49 32 2  o 3.4517  1.3198 ?       ?         0.41   0.85   -0.00  0.00   
1 1 1 49 32 3  o 4.2989  1.6324 ?       ?         0.47   0.86   0.00   0.00   
1 1 1 49 32 4  o 5.4285  2.5375 ?       ?         -0.29  -0.44  0.00   -0.00  
1 1 1 49 33 0  o 6.3797  1.0903 ?       ?         0.41   0.00   0.00   0.00   
1 1 1 49 33 1  o 5.5136  1.4063 ?       ?         0.16   -0.49  0.00   0.00   
1 1 1 50 0  0  o 7.7846  0.4314 8.0765  180.000   -0.21  0.00   0.00   0.00   
1 1 1 50 0  1  o 14.078  0.2134 12.363  -45.0000  0.17   -0.17  0.00   0.00   
1 1 1 50 0  2  o 4.3128  0.4681 1.9692  -90.0000  -0.00  -0.34  0.00   0.00   
1 1 1 50 0  3  o 7.1763  0.3262 4.6696  -135.0000 -0.10  -0.10  0.00   0.00   
1 1 1 50 0  4  o 0.8367  0.9388 0.0605  180.000   -0.01  0.00   0.00   0.00   
1 1 1 50 0  5  o 14.096  0.2200 14.037  -45.0000  0.77   -0.77  0.00   0.00   
1 1 1 50 0  6  o 5.7533  0.4050 7.2817  -90.0000  0.00   0.04   0.00   0.00   
1 1 1 50 0  7  o 7.3824  0.3550 5.9564  45.000    0.39   0.39   0.00   0.00   
1 1 1 50 0  8  o 4.1713  0.4711 6.6151  -180.0000 -0.03  0.00   0.00   0.00   
1 1 1 50 0  9  o 5.9414  0.4159 5.9880  -45.0000  0.21   -0.21  0.00   0.00   
1 1 1 50 0  10 o 9.2412  0.3189 9.2589  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 50 0  11 o 9.2682  0.3481 9.4234  45.000    0.98   0.98   0.00   0.00   
1 1 1 50 0  12 f 5.6745  0.5150 5.0089  180.000   -0.27  0.00   0.00   0.00   
1 1 1 50 0  13 o 4.3243  0.6298 3.9271  135.000   -0.31  0.31   0.00   0.00   
1 1 1 50 0  14 o 2.0494  0.9850 ?       ?         0.00   0.13   0.00   0.00   
1 1 1 50 0  15 o 5.0695  0.5963 ?       ?         -0.36  -0.36  0.00   0.00   
1 1 1 50 0  16 o 5.4222  0.5650 ?       ?         -0.30  0.00   0.00   0.00   
1 1 1 50 0  17 o 7.7653  0.5180 ?       ?         -0.42  0.42   0.00   0.00   
1 1 1 50 0  18 o 3.8601  0.8178 ?       ?         0.00   0.75   0.00   0.00   
1 1 1 50 1  0  o 0.0000  2.0736 0.3970  -180.0000 -0.03  0.00   0.00   0.00   
1 1 1 50 1  1  o 8.9382  0.1946 7.7544  -139.1000 1.06   -0.52  0.41   0.13   
1 1 1 50 1  2  f 8.2701  0.2011 9.8146  -68.8000  0.36   -0.26  0.07   -0.05  
1 1 1 50 1  3  o 6.6549  0.2370 5.5528  -133.6000 -0.20  0.43   0.03   -0.00  
1 1 1 50 1  4  o 6.1050  0.6787 7.0737  -119.2000 -2.56  -1.31  -0.19  -0.11  
1 1 1 50 1  5  o 5.7663  0.2914 4.9791  126.100   -1.11  -0.19  0.43   -0.25  
1 1 1 50 1  6  o 5.7283  0.4165 5.0257  -93.5000  -2.58  -1.06  -0.51  0.01   
1 1 1 50 1  7  o 6.2094  0.2884 6.5320  117.500   0.74   -0.19  -0.06  -0.09  
1 1 1 50 1  8  o 6.9112  0.3208 5.9999  3.6000    0.41   0.98   -0.02  -0.09  
1 1 1 50 1  9  o 8.2341  0.2203 9.0128  -147.4000 -0.85  -0.54  0.14   0.19   
1 1 1 50 1  10 o 3.8673  0.4529 3.1034  -91.1000  -0.29  -0.75  0.05   0.07   
1 1 1 50 1  11 o 11.382  0.2139 12.382  -17.7000  0.82   0.27   0.07   0.01   
1 1 1 50 1  12 o 5.1626  0.3731 5.5706  -6.3000   0.64   -0.46  0.03   -0.07  
1 1 1 50 1  13 o 6.5503  0.3134 7.4281  -96.5000  1.65   0.22   0.27   -0.09  
1 1 1 50 1  14 o 2.0565  0.7384 ?       ?         0.01   0.27   -0.01  -0.00  
1 1 1 50 1  15 o 3.2433  1.4650 ?       ?         0.08   0.18   0.00   0.00   
1 1 1 50 1  16 o 2.1582  0.7239 ?       ?         0.22   0.26   0.00   0.01   
1 1 1 50 1  17 o 0.0000  1.9685 ?       ?         -0.03  -0.07  -0.00  0.00   
1 1 1 50 1  18 o 3.5439  0.6819 ?       ?         0.56   1.08   -0.02  0.01   
1 1 1 50 2  0  o 0.0000  1.9748 2.5948  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 50 2  1  o 7.1151  0.2489 5.5031  -114.6000 -0.28  -0.85  0.00   -0.09  
1 1 1 50 2  2  o 9.5201  0.5931 8.6940  68.000    6.94   5.86   0.35   -1.45  
1 1 1 50 2  3  o 3.7682  0.3814 3.0360  -23.0000  -0.04  -1.01  0.08   -0.12  
1 1 1 50 2  4  o 4.9587  0.3351 4.6742  -150.3000 -0.32  -0.57  0.05   -0.00  
1 1 1 50 2  5  o 3.4285  0.4325 3.4144  102.500   -0.29  0.04   -0.01  -0.01  
1 1 1 50 2  6  o 4.5267  0.3544 6.0288  -149.7000 -0.46  0.69   0.08   0.01   
1 1 1 50 2  7  o 9.1907  0.2151 9.5811  -178.7000 -2.04  -0.32  0.57   -0.66  
1 1 1 50 2  8  o 4.3690  0.3335 4.6493  -120.1000 0.50   -0.80  -0.08  0.09   
1 1 1 50 2  9  o 6.5945  0.2607 6.6882  -77.9000  0.21   0.29   0.02   0.01   
1 1 1 50 2  10 o 5.2931  0.5244 4.5075  157.700   -1.80  -1.35  0.18   -0.21  
1 1 1 50 2  11 o 1.2463  0.8575 1.4235  31.200    -0.03  0.04   0.00   0.00   
1 1 1 50 2  12 o 9.9525  0.2381 10.495  -55.8000  0.21   -1.13  -0.11  -0.03  
1 1 1 50 2  13 o 0.0000  1.7087 ?       ?         0.30   0.09   -0.01  0.04   
1 1 1 50 2  14 o 2.7950  0.7709 ?       ?         0.03   -0.21  0.00   -0.00  
1 1 1 50 2  15 o 3.3082  0.9388 ?       ?         -0.07  -0.81  -0.01  -0.03  
1 1 1 50 2  16 o 2.7127  0.6773 ?       ?         0.34   0.45   0.01   0.02   
1 1 1 50 2  17 o 3.0648  0.7264 ?       ?         0.07   -0.68  -0.01  -0.01  
1 1 1 50 2  18 o 3.8723  0.6358 ?       ?         1.00   -0.09  0.01   -0.01  
1 1 1 50 3  0  o 0.0000  2.0736 0.2393  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 50 3  1  o 2.8470  0.4519 2.7632  -121.9000 -0.09  -0.12  -0.01  0.00   
1 1 1 50 3  2  o 5.5621  0.2756 5.1802  136.500   0.03   0.54   -0.03  -0.11  
1 1 1 50 3  3  o 6.5598  0.5547 7.0925  85.200    0.02   1.10   0.04   0.02   
1 1 1 50 3  4  o 6.4226  0.2794 4.4484  62.300    -1.07  0.51   -0.16  -0.02  
1 1 1 50 3  5  o 6.1017  0.2745 5.1626  77.100    -0.03  0.05   0.00   -0.00  
1 1 1 50 3  6  o 14.158  0.1662 15.774  -105.3000 -2.47  -3.74  -1.75  -0.68  
1 1 1 50 3  7  f 6.3151  0.2911 8.3370  -148.6000 -1.19  -0.49  0.53   0.13   
1 1 1 50 3  8  o 3.4199  0.5075 4.6122  -62.3000  -0.56  0.20   -0.00  0.03   
1 1 1 50 3  9  o 5.3708  0.3016 4.8482  5.7000    -0.55  -0.34  0.10   -0.01  
1 1 1 50 3  10 o 5.0564  0.7313 3.8836  -102.0000 0.23   -0.22  -0.00  0.00   
1 1 1 50 3  11 o 6.0986  0.3207 6.5066  -152.5000 0.18   -0.34  0.00   -0.02  
1 1 1 50 3  12 o 2.8982  1.3144 2.9349  -150.6000 -0.06  -0.31  0.01   0.01   
1 1 1 50 3  13 o 5.3101  0.3800 5.9731  -116.4000 0.34   -0.57  -0.04  0.00   
1 1 1 50 3  14 o 3.1767  0.5601 ?       ?         -0.19  0.60   -0.03  0.01   
1 1 1 50 3  15 o 4.2040  0.4785 ?       ?         0.90   0.28   0.01   0.04   
1 1 1 50 3  16 o 3.8984  1.2013 ?       ?         -0.86  -0.57  -0.03  0.00   
1 1 1 50 3  17 o 3.1315  0.6846 ?       ?         0.08   0.11   -0.00  0.00   
1 1 1 50 3  18 f 5.7080  0.4457 ?       ?         0.78   3.16   -0.15  0.01   
1 1 1 50 4  0  o 16.346  0.3209 14.773  -180.0000 -1.33  0.00   0.00   0.00   
1 1 1 50 4  1  o 2.7507  0.4491 3.2865  -22.4000  0.02   -0.23  -0.04  -0.03  
1 1 1 50 4  2  o 11.505  0.1630 12.593  22.400    1.96   1.41   -0.32  1.85   
1 1 1 50 4  3  o 13.976  0.1584 14.194  -48.5000  0.28   -0.76  -0.07  -0.13  
1 1 1 50 4  4  o 6.3026  0.2589 5.1245  77.600    -0.14  0.28   -0.00  -0.04  
1 1 1 50 4  5  o 3.1172  0.4617 3.5292  -138.5000 -0.53  0.33   -0.11  -0.12  
1 1 1 50 4  6  o 8.1898  0.2336 7.6801  117.200   0.20   1.12   -0.26  -0.18  
1 1 1 50 4  7  o 7.9507  0.7110 6.2276  147.500   -3.28  -1.43  -0.06  -0.22  
1 1 1 50 4  8  f 2.0398  0.8170 1.1293  -58.1000  0.22   0.45   0.06   0.00   
1 1 1 50 4  9  o 3.9455  0.3900 1.9130  41.400    -0.05  0.01   0.00   -0.00  
1 1 1 50 4  10 o 8.4235  0.3042 7.5668  156.700   -1.03  -1.87  0.29   0.12   
1 1 1 50 4  11 o 6.6915  0.3146 6.6693  -60.9000  -1.26  -0.51  -0.11  0.10   
1 1 1 50 4  12 o 3.3459  0.5294 2.8925  8.8000    -0.06  0.36   0.00   -0.01  
1 1 1 50 4  13 o 0.2652  0.6902 2.2269  50.500    0.15   -0.02  0.01   0.00   
1 1 1 50 4  14 o 4.7638  0.7310 ?       ?         -1.92  0.41   0.01   0.12   
1 1 1 50 4  15 o 2.7275  0.6259 ?       ?         0.20   0.25   -0.00  0.01   
1 1 1 50 4  16 o 1.7433  0.8491 ?       ?         -0.02  -0.26  -0.00  0.00   
1 1 1 50 4  17 o 1.7895  0.8902 ?       ?         0.44   -0.53  -0.02  -0.03  
1 1 1 50 4  18 o 3.3820  1.2105 ?       ?         0.81   -0.70  -0.02  -0.02  
1 1 1 50 5  0  o 14.588  0.2028 13.724  -0.0000   1.10   0.00   0.00   0.00   
1 1 1 50 5  1  o 5.0043  0.2845 5.4036  -140.5000 -1.16  -0.24  -0.22  0.17   
1 1 1 50 5  2  o 7.1112  0.2227 6.4455  158.700   -1.53  0.60   0.65   0.55   
1 1 1 50 5  3  o 11.375  0.1694 11.406  -43.9000  1.28   -1.22  -0.66  -0.47  
1 1 1 50 5  4  o 7.8923  0.2314 8.9383  117.300   0.20   1.58   -0.25  -0.51  
1 1 1 50 5  5  f 5.1576  0.3181 4.3608  33.200    0.24   0.65   -0.20  -0.03  
1 1 1 50 5  6  f 5.8737  0.2899 5.0827  -165.2000 -0.32  0.81   -0.06  0.10   
1 1 1 50 5  7  o 7.4764  0.2519 8.0145  18.800    0.15   1.46   -0.03  0.34   
1 1 1 50 5  8  o 8.3604  0.3166 8.4648  -152.6000 -0.35  -1.66  0.03   -0.18  
1 1 1 50 5  9  o 8.9611  0.3643 8.3956  108.800   -0.86  4.21   0.19   0.84   
1 1 1 50 5  10 o 7.8311  0.2624 8.0807  -7.5000   1.75   -0.09  0.08   0.28   
1 1 1 50 5  11 o 5.4412  0.3652 5.1438  164.800   -0.89  -0.13  0.10   -0.03  
1 1 1 50 5  12 o 7.6507  0.2828 8.5034  -138.8000 -1.47  0.08   0.15   -0.13  
1 1 1 50 5  13 o 6.1904  0.3421 5.4720  -109.5000 0.12   0.01   0.00   -0.00  
1 1 1 50 5  14 o 2.5712  0.6577 ?       ?         -0.12  -0.07  -0.00  0.00   
1 1 1 50 5  15 o 3.8216  0.4711 ?       ?         -0.50  -0.09  0.01   0.01   
1 1 1 50 5  16 o 3.7552  1.2352 ?       ?         -0.18  -0.96  -0.00  -0.03  
1 1 1 50 5  17 o 7.6165  0.3682 ?       ?         -1.97  0.83   0.09   -0.03  
1 1 1 50 5  18 o 4.5692  0.6300 ?       ?         -0.46  -0.47  0.00   0.00   
1 1 1 50 6  0  o 5.4955  0.3978 6.1084  -0.0000   0.39   0.00   0.00   0.00   
1 1 1 50 6  1  o 6.3701  0.2436 6.6627  75.800    -0.33  0.14   0.01   -0.07  
1 1 1 50 6  2  o 7.3261  0.2267 7.7722  142.100   -1.05  -1.19  0.47   -0.08  
1 1 1 50 6  3  f 9.4777  0.1838 8.7179  -56.3000  -1.46  -0.57  0.61   -0.18  
1 1 1 50 6  4  o 9.1161  0.1887 8.4467  -80.3000  -1.61  -0.99  -0.00  1.22   
1 1 1 50 6  5  o 5.2865  0.3148 5.1374  -17.1000  0.83   -0.32  0.02   0.09   
1 1 1 50 6  6  o 6.5373  0.2604 6.0350  -6.8000   1.60   -0.49  0.09   0.35   
1 1 1 50 6  7  o 8.0930  0.2435 8.0653  36.700    0.28   -0.82  -0.08  0.06   
1 1 1 50 6  8  o 10.308  0.1772 10.414  -133.0000 -0.17  0.42   -0.03  -0.03  
1 1 1 50 6  9  o 2.0991  0.9769 2.5711  -73.0000  -0.14  -0.26  -0.01  -0.02  
1 1 1 50 6  10 o 10.224  0.2966 8.2188  -84.0000  2.27   -2.17  0.55   0.03   
1 1 1 50 6  11 f 1.8884  0.6926 1.4855  129.500   0.15   -0.17  0.01   -0.02  
1 1 1 50 6  12 o 8.1838  0.2914 7.9082  -4.0000   2.33   -1.77  0.47   0.08   
1 1 1 50 6  13 f 3.6366  0.5080 2.5437  137.000   -0.29  -0.20  -0.01  0.01   
1 1 1 50 6  14 o 2.0261  0.9643 ?       ?         0.25   -0.30  -0.02  -0.01  
1 1 1 50 6  15 f 4.6898  0.4304 ?       ?         0.27   0.84   -0.03  -0.01  
1 1 1 50 6  16 o 0.3689  0.7767 ?       ?         -0.21  -0.02  0.00   0.01   
1 1 1 50 6  17 o 4.4281  0.4971 ?       ?         0.56   0.57   -0.01  0.01   
1 1 1 50 6  18 o 2.1260  0.7355 ?       ?         -0.12  -0.81  -0.02  0.02   
1 1 1 50 7  0  o 3.7550  0.5113 2.7566  -180.0000 -0.25  0.00   0.00   0.00   
1 1 1 50 7  1  f 9.9101  0.1747 8.4404  -89.9000  0.65   0.31   -0.08  0.05   
1 1 1 50 7  2  o 2.2270  0.8321 1.1666  83.700    -0.11  0.03   -0.00  -0.00  
1 1 1 50 7  3  o 6.2962  0.2436 4.3369  67.600    0.95   -0.20  0.07   0.21   
1 1 1 50 7  4  o 3.0207  0.4727 2.6203  -123.4000 -0.03  0.06   -0.00  0.00   
1 1 1 50 7  5  o 10.812  0.1809 9.9092  -2.4000   2.01   -0.64  -0.34  -0.37  
1 1 1 50 7  6  o 5.5753  0.5653 5.0588  -175.3000 -2.48  -1.34  0.01   -0.32  
1 1 1 50 7  7  o 5.1028  0.3448 5.3270  -5.2000   0.67   -0.18  0.06   -0.12  
1 1 1 50 7  8  o 2.7691  0.4395 3.1636  48.100    0.08   0.27   0.01   0.01   
1 1 1 50 7  9  o 4.5357  0.3306 4.1607  -174.1000 0.27   -0.31  -0.03  -0.04  
1 1 1 50 7  10 f 5.1421  0.3586 4.4965  -24.3000  1.34   -0.53  0.12   0.15   
1 1 1 50 7  11 o 5.0369  0.6110 4.5233  159.400   -1.10  0.02   -0.02  0.05   
1 1 1 50 7  12 o 2.6023  0.6719 1.6154  103.000   -0.09  0.10   -0.00  0.00   
1 1 1 50 7  13 o 2.5771  0.6175 ?       ?         -0.40  0.51   -0.04  -0.04  
1 1 1 50 7  14 o 4.2332  0.4715 ?       ?         0.08   -0.92  -0.06  0.01   
1 1 1 50 7  15 f 6.9320  0.3528 ?       ?         0.04   -0.60  -0.01  -0.01  
1 1 1 50 7  16 o 5.1937  0.4397 ?       ?         0.34   -0.17  -0.00  -0.00  
1 1 1 50 7  17 o 0.0000  1.9358 ?       ?         -0.36  -0.17  0.01   0.01   
1 1 1 50 7  18 o 2.9859  0.8630 ?       ?         -0.13  -0.86  -0.01  0.00   
1 1 1 50 8  0  o 7.9310  0.2917 7.9315  180.000   0.19   0.00   0.00   0.00   
1 1 1 50 8  1  o 14.084  0.1817 11.467  9.7000    2.16   0.32   -0.23  0.40   
1 1 1 50 8  2  o 13.461  0.3661 12.615  162.700   -4.87  -3.85  0.99   -1.12  
1 1 1 50 8  3  o 3.7154  0.5404 2.9973  151.800   -0.46  -0.33  0.01   -0.02  
1 1 1 50 8  4  o 2.6313  0.4723 2.4610  61.500    -0.11  0.06   0.01   0.00   
1 1 1 50 8  5  f 2.2515  0.5508 1.9020  171.800   -0.22  -0.14  -0.02  0.02   
1 1 1 50 8  6  o 3.3452  0.6044 2.2330  -52.2000  0.27   -0.20  -0.01  0.00   
1 1 1 50 8  7  o 3.6515  0.4373 2.0451  -166.5000 -0.37  -0.66  -0.06  -0.06  
1 1 1 50 8  8  o 3.8554  0.3936 2.2561  -119.4000 0.25   0.00   0.01   -0.01  
1 1 1 50 8  9  o 3.5189  0.4205 4.5198  122.400   0.19   -0.42  -0.04  -0.04  
1 1 1 50 8  10 f 5.6481  0.3349 5.7063  25.100    1.16   0.17   0.20   -0.09  
1 1 1 50 8  11 o 2.4489  0.9157 3.4859  92.500    0.09   0.12   -0.00  -0.00  
1 1 1 50 8  12 o 6.7571  0.4744 6.3267  -138.5000 -0.23  -0.40  -0.01  -0.01  
1 1 1 50 8  13 o 3.5980  0.5061 ?       ?         0.05   -0.33  -0.01  0.00   
1 1 1 50 8  14 o 4.9035  0.4225 ?       ?         0.42   -0.39  -0.00  -0.02  
1 1 1 50 8  15 o 5.5946  0.4091 ?       ?         -0.57  -0.86  0.01   0.04   
1 1 1 50 8  16 o 2.7826  0.6623 ?       ?         -0.38  0.17   0.01   -0.00  
1 1 1 50 8  17 o 1.1069  0.9901 ?       ?         -0.26  0.40   -0.01  -0.01  
1 1 1 50 8  18 o 3.0880  1.4537 ?       ?         -0.80  -0.00  0.01   -0.02  
1 1 1 50 9  0  o 6.6106  0.3172 8.0539  -180.0000 0.04   0.00   0.00   0.00   
1 1 1 50 9  1  o 7.4076  0.3055 6.8525  -13.8000  3.39   -0.55  -0.34  0.84   
1 1 1 50 9  2  o 7.2443  0.2232 6.1921  -62.8000  -1.00  1.46   -0.53  0.28   
1 1 1 50 9  3  o 8.2156  0.2082 5.4407  -129.3000 -0.98  0.42   0.38   -0.14  
1 1 1 50 9  4  o 5.7150  0.6057 5.1538  -33.2000  -0.13  -0.07  -0.00  -0.00  
1 1 1 50 9  5  o 10.188  0.2475 9.0534  145.300   -1.33  0.07   -0.05  0.13   
1 1 1 50 9  6  f 4.1830  0.3653 5.3907  46.300    -0.68  0.33   -0.04  -0.17  
1 1 1 50 9  7  o 6.7857  0.2583 6.3212  64.000    0.57   0.31   0.10   0.03   
1 1 1 50 9  8  o 6.9774  0.2475 8.2981  100.200   -1.09  -0.02  0.29   -0.08  
1 1 1 50 9  9  o 4.8897  0.4690 5.0691  -111.3000 0.06   -1.11  0.03   0.07   
1 1 1 50 9  10 o 5.5084  0.3239 4.9925  -14.8000  -0.43  -0.74  0.06   0.04   
1 1 1 50 9  11 f 6.0015  0.4942 5.9078  12.400    1.25   0.58   0.05   -0.08  
1 1 1 50 9  12 o 8.1185  0.2639 8.4469  118.100   0.32   0.21   0.01   0.00   
1 1 1 50 9  13 o 4.9061  0.5395 ?       ?         -0.03  -0.12  -0.00  -0.00  
1 1 1 50 9  14 o 2.0802  0.7415 ?       ?         -0.44  -0.30  -0.02  0.04   
1 1 1 50 9  15 o 4.6177  0.4805 ?       ?         -0.30  -0.59  -0.01  0.01   
1 1 1 50 9  16 o 4.6821  0.6163 ?       ?         0.35   0.69   -0.02  -0.01  
1 1 1 50 9  17 o 6.3710  1.2353 ?       ?         1.62   0.05   -0.01  0.02   
1 1 1 50 9  18 o 5.1342  0.5583 ?       ?         1.35   -1.91  -0.01  -0.02  
1 1 1 50 10 0  o 7.0711  0.3113 5.7948  -0.0000   0.18   0.00   0.00   0.00   
1 1 1 50 10 1  o 8.8286  0.1893 9.7682  -52.8000  1.15   0.14   0.02   -0.21  
1 1 1 50 10 2  o 2.6233  0.4655 2.2615  -111.4000 -0.09  -0.34  -0.03  -0.05  
1 1 1 50 10 3  o 6.0692  0.2602 5.5866  -21.5000  0.72   -0.46  0.09   0.08   
1 1 1 50 10 4  o 10.690  0.1832 11.719  69.700    -1.90  0.57   -0.29  -0.27  
1 1 1 50 10 5  o 5.3970  0.4247 5.7356  -123.6000 -1.56  -0.38  -0.16  0.06   
1 1 1 50 10 6  o 5.2869  0.3086 4.9067  -136.5000 -0.50  -0.79  -0.23  0.11   
1 1 1 50 10 7  o 3.7359  0.4129 4.1828  176.200   0.42   0.47   -0.08  0.02   
1 1 1 50 10 8  o 5.1121  0.4671 3.8438  40.900    -0.65  0.74   0.05   0.03   
1 1 1 50 10 9  o 5.5678  0.4887 6.2820  -11.7000  1.47   -0.25  -0.04  0.10   
1 1 1 50 10 10 o 4.8755  0.6069 5.0056  155.700   -1.09  -0.48  0.02   -0.06  
1 1 1 50 10 11 o 1.5781  0.8012 1.3283  160.600   -0.42  0.09   -0.02  -0.03  
1 1 1 50 10 12 o 5.2238  0.3787 5.9015  -116.1000 -0.48  -0.00  0.01   0.02   
1 1 1 50 10 13 o 3.4075  0.5123 ?       ?         -0.38  0.67   -0.01  -0.05  
1 1 1 50 10 14 o 5.2857  0.8421 ?       ?         0.14   1.26   0.01   0.03   
1 1 1 50 10 15 o 6.0613  0.3763 ?       ?         -0.66  -1.36  -0.08  0.03   
1 1 1 50 10 16 o 2.5972  0.6833 ?       ?         0.27   -0.15  0.01   -0.00  
1 1 1 50 10 17 o 0.0000  2.1427 ?       ?         -0.14  -0.03  0.00   0.00   
1 1 1 50 10 18 o 4.2413  0.6391 ?       ?         -0.18  -0.06  0.00   0.00   
1 1 1 50 11 0  o 5.2058  0.3920 5.3122  -180.0000 -0.15  0.00   0.00   0.00   
1 1 1 50 11 1  o 5.8533  0.2610 5.7245  29.400    0.15   0.88   0.01   -0.12  
1 1 1 50 11 2  o 4.7214  0.3459 3.8383  126.800   -0.21  -0.23  -0.01  -0.01  
1 1 1 50 11 3  o 2.4392  0.5182 1.6634  -168.2000 -0.02  -0.07  -0.00  -0.00  
1 1 1 50 11 4  o 3.9833  0.3645 2.9188  85.000    0.47   -0.46  0.05   0.03   
1 1 1 50 11 5  o 3.2214  0.4292 1.7019  -134.3000 0.17   0.15   0.01   0.02   
1 1 1 50 11 6  o 4.0191  0.3914 3.9064  -157.0000 0.38   -0.23  -0.02  -0.05  
1 1 1 50 11 7  o 5.1293  0.3414 5.8582  -149.9000 -0.42  -0.20  0.02   -0.02  
1 1 1 50 11 8  o 4.8830  0.3268 4.5801  -40.3000  -0.20  -0.32  -0.01  -0.01  
1 1 1 50 11 9  f 2.8851  0.8060 4.0475  -162.4000 -0.54  -0.93  0.10   -0.02  
1 1 1 50 11 10 o 6.1440  0.3031 5.4835  -124.1000 -1.64  -1.13  0.39   0.37   
1 1 1 50 11 11 o 4.6154  0.3877 4.9480  59.400    0.25   0.66   0.00   0.05   
1 1 1 50 11 12 o 2.2217  0.6747 2.9074  12.700    0.10   -0.08  0.00   -0.00  
1 1 1 50 11 13 o 0.7704  0.8779 ?       ?         -0.05  0.04   0.00   -0.00  
1 1 1 50 11 14 o 3.1633  0.6453 ?       ?         0.55   0.07   0.01   0.01   
1 1 1 50 11 15 o 1.6587  0.8435 ?       ?         0.57   0.18   0.02   0.02   
1 1 1 50 11 16 o 3.4299  0.6930 ?       ?         -0.06  0.27   -0.00  0.00   
1 1 1 50 11 17 o 4.8441  0.6700 ?       ?         1.22   -1.27  0.04   0.00   
1 1 1 50 11 18 o 3.5517  0.8872 ?       ?         0.52   1.06   0.00   0.01   
1 1 1 50 12 0  o 5.6214  0.3745 6.0074  -180.0000 -0.51  0.00   0.00   0.00   
1 1 1 50 12 1  o 7.6923  0.2133 7.4951  -76.1000  -1.09  -2.44  -0.98  -0.95  
1 1 1 50 12 2  o 6.6859  0.2357 6.2381  -9.3000   0.77   -0.30  0.19   0.08   
1 1 1 50 12 3  o 8.9828  0.1974 9.4379  90.800    -0.06  0.34   -0.01  -0.03  
1 1 1 50 12 4  o 1.6779  0.6368 1.3912  5.8000    0.32   0.01   0.01   -0.06  
1 1 1 50 12 5  o 10.440  0.1840 10.599  80.500    -0.96  0.75   0.19   -0.15  
1 1 1 50 12 6  o 8.0463  0.2272 9.6601  -163.9000 0.11   0.05   0.00   0.00   
1 1 1 50 12 7  o 7.6274  0.2296 8.7496  55.100    -0.52  0.84   -0.11  0.04   
1 1 1 50 12 8  o 6.1988  0.2657 6.3542  -10.3000  0.99   0.22   -0.04  0.12   
1 1 1 50 12 9  o 3.4444  0.9495 3.6221  16.500    -0.24  0.26   -0.00  0.00   
1 1 1 50 12 10 o 2.3269  0.6111 1.6852  -55.7000  -0.42  -0.19  0.05   0.02   
1 1 1 50 12 11 o 4.7505  0.3930 5.4160  -131.0000 -1.07  -0.50  0.09   -0.05  
1 1 1 50 12 12 o 8.3010  0.2723 8.7468  113.900   -0.83  0.19   0.03   -0.04  
1 1 1 50 12 13 o 4.0886  0.5171 ?       ?         -0.04  0.85   -0.01  0.03   
1 1 1 50 12 14 o 1.7604  0.9155 ?       ?         -0.27  0.38   0.02   -0.01  
1 1 1 50 12 15 o 1.9597  0.7951 ?       ?         0.11   0.10   0.00   0.00   
1 1 1 50 12 16 o 4.1141  0.6307 ?       ?         0.26   0.20   0.00   0.00   
1 1 1 50 12 17 o 0.0000  2.1138 ?       ?         0.13   -0.61  -0.02  -0.01  
1 1 1 50 12 18 o 0.0000  2.4045 ?       ?         0.57   -0.07  0.00   -0.00  
1 1 1 50 13 0  o 5.3572  0.3743 5.5949  0.0000    -0.12  0.00   0.00   0.00   
1 1 1 50 13 1  o 6.8150  0.2293 6.3951  -151.3000 -1.99  -0.32  -0.33  0.50   
1 1 1 50 13 2  f 10.590  0.4206 9.9127  176.200   -7.64  1.88   -0.73  1.48   
1 1 1 50 13 3  o 7.8873  0.2893 8.6561  -34.6000  3.36   -0.73  -0.73  -0.36  
1 1 1 50 13 4  o 6.4046  0.2575 7.8558  142.500   -0.31  0.31   0.02   -0.05  
1 1 1 50 13 5  o 5.7184  0.2935 6.0316  171.100   -0.78  1.20   -0.24  -0.55  
1 1 1 50 13 6  o 2.9560  0.4983 1.4688  162.700   -0.04  -1.10  0.05   -0.15  
1 1 1 50 13 7  o 5.1576  0.3337 5.6459  126.400   -1.10  0.66   -0.19  -0.14  
1 1 1 50 13 8  o 4.9504  0.3053 3.8721  -8.3000   0.27   -0.44  0.04   -0.03  
1 1 1 50 13 9  o 0.5466  0.7012 1.5388  -90.6000  0.02   -0.11  0.00   -0.01  
1 1 1 50 13 10 o 0.8664  0.8171 1.0863  18.900    0.02   -0.01  -0.00  -0.00  
1 1 1 50 13 11 o 2.1752  0.7146 1.8301  -22.9000  0.02   0.07   0.00   0.00   
1 1 1 50 13 12 o 4.9278  0.3926 ?       ?         -0.24  -0.16  0.00   0.01   
1 1 1 50 13 13 o 4.8859  0.4306 ?       ?         0.69   -0.28  0.03   -0.00  
1 1 1 50 13 14 o 6.1618  0.3765 ?       ?         0.61   1.79   -0.11  0.00   
1 1 1 50 13 15 o 3.3512  0.6868 ?       ?         0.24   -0.15  -0.00  -0.00  
1 1 1 50 13 16 o 4.7559  0.5710 ?       ?         -0.59  -0.13  0.00   0.00   
1 1 1 50 13 17 o 2.5526  0.9185 ?       ?         0.21   -0.06  0.00   -0.00  
1 1 1 50 14 0  o 9.8133  0.2532 9.0185  -180.0000 0.06   0.00   0.00   0.00   
1 1 1 50 14 1  o 5.4567  0.2660 4.7885  55.000    -0.86  0.25   0.11   0.16   
1 1 1 50 14 2  o 4.1361  0.3443 4.5489  -16.7000  0.28   -0.29  -0.05  -0.04  
1 1 1 50 14 3  o 4.5410  0.3265 3.8576  -7.0000   -0.10  0.40   0.02   -0.02  
1 1 1 50 14 4  f 5.2766  0.6052 5.8220  -3.1000   0.56   -0.89  -0.01  0.04   
1 1 1 50 14 5  o 3.6352  0.6624 3.9090  140.100   1.21   1.11   -0.10  -0.11  
1 1 1 50 14 6  o 5.3662  0.3015 6.5067  132.500   -0.73  0.83   -0.03  -0.33  
1 1 1 50 14 7  o 4.4245  0.5300 3.5074  -103.4000 0.33   -2.05  0.06   0.23   
1 1 1 50 14 8  o 7.7541  0.2242 6.6480  -25.6000  -0.88  -0.70  0.14   -0.00  
1 1 1 50 14 9  o 1.9480  0.9720 0.3793  139.900   0.23   -0.08  -0.01  0.00   
1 1 1 50 14 10 o 1.9145  0.7020 1.3451  -160.8000 0.04   0.35   -0.03  -0.01  
1 1 1 50 14 11 o 8.0225  0.2708 8.0057  -10.0000  0.82   0.49   0.01   0.07   
1 1 1 50 14 12 o 2.2634  0.6548 ?       ?         0.28   0.05   0.01   0.00   
1 1 1 50 14 13 o 3.8641  1.0851 ?       ?         0.81   -0.19  -0.02  -0.01  
1 1 1 50 14 14 o 4.8250  0.4488 ?       ?         -0.34  -1.60  -0.02  0.08   
1 1 1 50 14 15 o 4.2582  0.6164 ?       ?         0.43   1.34   -0.01  0.03   
1 1 1 50 14 16 o 1.1524  0.9751 ?       ?         0.13   -0.27  -0.00  -0.00  
1 1 1 50 14 17 o 3.3362  0.8791 ?       ?         0.65   -0.85  -0.00  -0.01  
1 1 1 50 15 0  o 5.6480  0.3495 6.3335  -180.0000 0.06   0.00   0.00   0.00   
1 1 1 50 15 1  f 3.0415  0.6678 2.6920  -150.0000 -0.05  -0.38  0.01   0.00   
1 1 1 50 15 2  o 1.9119  0.5535 0.9617  26.300    -0.08  0.10   -0.01  -0.01  
1 1 1 50 15 3  o 2.5740  0.9282 3.3650  -21.8000  0.99   -0.54  0.03   0.15   
1 1 1 50 15 4  o 2.7292  0.4892 2.6058  23.900    -0.29  -0.07  -0.00  0.03   
1 1 1 50 15 5  o 3.1523  0.4191 3.7003  136.200   0.26   -0.54  -0.06  0.04   
1 1 1 50 15 6  o 3.9435  0.4514 3.1535  -25.3000  -0.59  0.45   0.03   0.03   
1 1 1 50 15 7  o 8.8558  0.2058 10.020  13.600    -0.34  -0.55  -0.05  -0.01  
1 1 1 50 15 8  o 7.9062  0.2135 7.8121  -11.3000  0.06   0.76   -0.09  0.03   
1 1 1 50 15 9  o 2.0615  0.5674 1.9737  -20.2000  0.42   -0.03  0.05   0.03   
1 1 1 50 15 10 o 7.3906  0.2834 7.6692  -72.0000  1.86   0.95   0.29   -0.03  
1 1 1 50 15 11 o 7.4583  0.2595 8.0375  163.800   -0.99  0.59   0.08   -0.09  
1 1 1 50 15 12 o 1.9013  0.9330 ?       ?         -0.18  -0.04  0.00   0.00   
1 1 1 50 15 13 o 3.3975  0.7214 ?       ?         0.78   0.67   -0.04  0.02   
1 1 1 50 15 14 o 5.7868  0.4005 ?       ?         0.24   -0.94  -0.03  -0.01  
1 1 1 50 15 15 o 5.2343  0.7223 ?       ?         -0.10  1.02   0.00   -0.02  
1 1 1 50 15 16 o 5.3259  0.6125 ?       ?         0.03   -1.22  0.00   -0.01  
1 1 1 50 15 17 o 2.9809  1.2471 ?       ?         -1.09  -0.31  0.01   0.01   
1 1 1 50 16 0  o 4.6368  0.4412 4.0914  -0.0000   0.02   0.00   0.00   0.00   
1 1 1 50 16 1  o 7.6751  0.2138 6.9433  127.800   -0.31  1.94   -0.87  0.18   
1 1 1 50 16 2  o 0.3408  0.6465 1.0827  -134.3000 -0.19  0.09   0.01   -0.05  
1 1 1 50 16 3  o 4.3737  0.3318 4.1909  -111.0000 -0.12  -0.34  -0.04  0.01   
1 1 1 50 16 4  o 5.9137  0.3151 6.6026  -126.5000 -0.96  -0.28  0.01   -0.08  
1 1 1 50 16 5  o 4.6321  0.3474 4.5037  113.100   1.08   0.64   -0.16  0.04   
1 1 1 50 16 6  o 4.7104  0.3373 3.6519  51.400    0.16   0.67   -0.10  -0.01  
1 1 1 50 16 7  o 1.4084  0.7561 1.5957  -140.7000 -0.24  -0.23  -0.04  0.03   
1 1 1 50 16 8  o 3.6238  0.4024 4.3327  19.600    0.38   -0.42  -0.04  0.00   
1 1 1 50 16 9  o 6.8045  0.2390 7.3211  -172.4000 -1.85  -1.03  -0.29  0.22   
1 1 1 50 16 10 o 2.1197  0.5835 3.8904  -10.4000  0.35   -0.04  0.03   -0.01  
1 1 1 50 16 11 o 4.1886  0.4505 3.9585  42.500    0.10   0.53   0.00   0.02   
1 1 1 50 16 12 o 7.0953  0.8552 ?       ?         -0.09  -0.88  0.00   -0.01  
1 1 1 50 16 13 o 2.0182  0.7141 ?       ?         0.13   -0.05  0.00   -0.00  
1 1 1 50 16 14 o 3.2487  1.1032 ?       ?         0.36   -0.58  -0.01  -0.00  
1 1 1 50 16 15 o 6.2610  0.5074 ?       ?         -1.00  0.19   0.01   0.01   
1 1 1 50 16 16 o 0.0000  2.6216 ?       ?         -0.31  -0.23  0.00   0.00   
1 1 1 50 16 17 o 4.5772  0.9045 ?       ?         0.17   0.02   -0.00  0.00   
1 1 1 50 17 0  o 2.6268  0.6295 2.6459  0.0000    0.17   0.00   0.00   0.00   
1 1 1 50 17 1  o 6.0657  0.2468 5.6483  67.000    0.47   0.02   0.01   0.04   
1 1 1 50 17 2  o 3.3518  0.7929 2.0457  102.300   -2.07  0.92   -0.24  0.07   
1 1 1 50 17 3  o 6.0423  0.2428 5.6587  -13.0000  0.27   1.20   0.10   0.18   
1 1 1 50 17 4  o 6.1281  0.2448 6.4434  90.600    -0.29  -0.31  0.03   0.01   
1 1 1 50 17 5  o 5.7149  0.2771 6.3933  -33.0000  0.14   -0.36  -0.02  -0.03  
1 1 1 50 17 6  o 13.071  0.1752 13.865  58.800    1.14   2.59   -0.53  -0.04  
1 1 1 50 17 7  o 3.2316  0.8398 2.7900  -62.8000  0.12   -0.28  0.01   -0.00  
1 1 1 50 17 8  o 4.5111  1.3163 3.6897  120.000   -1.32  1.18   0.02   0.06   
1 1 1 50 17 9  o 3.3639  0.5591 2.9009  68.500    -0.24  -0.29  -0.01  -0.01  
1 1 1 50 17 10 o 7.6350  0.2299 8.8423  68.900    0.75   0.65   0.03   0.10   
1 1 1 50 17 11 o 3.3857  0.5012 ?       ?         -0.25  -0.07  0.00   0.00   
1 1 1 50 17 12 o 4.6665  0.4250 ?       ?         -0.32  0.19   0.01   -0.00  
1 1 1 50 17 13 o 4.8619  0.4804 ?       ?         -0.62  -0.34  0.00   0.01   
1 1 1 50 17 14 o 1.5233  0.9893 ?       ?         -0.01  -0.74  -0.02  0.01   
1 1 1 50 17 15 o 2.4006  0.8778 ?       ?         -0.72  -0.34  0.01   0.01   
1 1 1 50 17 16 o 4.8796  2.2604 ?       ?         0.42   -0.59  0.00   -0.00  
1 1 1 50 17 17 o 2.1943  1.2621 ?       ?         -1.85  0.31   0.00   -0.00  
1 1 1 50 18 0  o 1.7029  0.7948 1.9014  180.000   0.12   0.00   0.00   0.00   
1 1 1 50 18 1  o 1.8914  0.5486 2.3991  -6.0000   0.25   -0.05  0.02   0.02   
1 1 1 50 18 2  o 5.1931  0.3473 4.9457  147.700   -0.66  0.40   0.03   0.04   
1 1 1 50 18 3  o 3.5740  0.3746 2.6853  -106.3000 0.36   0.13   -0.01  0.03   
1 1 1 50 18 4  o 7.8472  0.2665 7.4296  129.700   -0.15  2.11   0.16   -0.28  
1 1 1 50 18 5  o 7.6035  0.2156 7.3255  -64.1000  0.67   -0.30  0.08   -0.06  
1 1 1 50 18 6  o 8.6555  0.2119 9.2232  -123.1000 -0.79  -1.20  -0.22  0.17   
1 1 1 50 18 7  o 8.1115  0.2298 8.9669  25.800    0.14   1.67   -0.02  0.22   
1 1 1 50 18 8  o 4.6297  0.3436 3.2826  55.000    0.14   -0.63  -0.03  0.03   
1 1 1 50 18 9  o 5.3981  0.3612 5.7266  -41.5000  0.72   -0.54  -0.05  -0.02  
1 1 1 50 18 10 o 7.1668  0.4347 7.4694  101.400   0.36   1.94   0.09   0.10   
1 1 1 50 18 11 o 3.9432  0.5399 ?       ?         -0.21  -0.31  -0.01  -0.00  
1 1 1 50 18 12 o 2.6034  0.6778 ?       ?         0.09   0.21   -0.00  0.00   
1 1 1 50 18 13 o 1.9649  0.9408 ?       ?         -0.27  -0.10  0.00   0.00   
1 1 1 50 18 14 o 6.2502  0.5300 ?       ?         0.89   1.74   -0.02  0.02   
1 1 1 50 18 15 f 2.5483  0.9718 ?       ?         -0.21  -0.52  -0.00  0.01   
1 1 1 50 18 16 o 3.3775  1.1748 ?       ?         0.14   0.58   -0.00  0.00   
1 1 1 50 19 0  o 0.0000  1.9748 0.6639  0.0000    -0.03  0.00   0.00   0.00   
1 1 1 50 19 1  o 4.8868  0.2678 5.5535  5.5000    0.62   0.16   -0.03  0.08   
1 1 1 50 19 2  o 7.9052  0.1994 8.1149  52.100    0.90   1.50   -0.39  0.55   
1 1 1 50 19 3  o 2.8219  0.4200 3.7619  77.300    -0.03  0.16   -0.01  0.00   
1 1 1 50 19 4  o 4.7926  0.3052 4.9817  121.000   -0.44  0.16   -0.02  -0.01  
1 1 1 50 19 5  o 4.0831  0.3444 3.9807  -58.9000  0.56   0.32   0.09   0.04   
1 1 1 50 19 6  o 1.0526  0.6909 0.5818  46.600    -0.12  -0.11  0.01   0.01   
1 1 1 50 19 7  o 1.6714  0.6586 2.1249  -56.5000  0.15   -0.15  0.01   -0.01  
1 1 1 50 19 8  o 7.0934  0.2626 7.4135  -150.9000 -0.89  -0.84  -0.10  0.04   
1 1 1 50 19 9  o 5.0039  0.3294 6.0328  -123.6000 -0.74  -1.10  0.10   0.10   
1 1 1 50 19 10 o 3.2069  0.5423 ?       ?         -0.53  0.46   0.04   -0.00  
1 1 1 50 19 11 o 5.7977  0.4463 ?       ?         -1.13  -0.95  -0.06  0.03   
1 1 1 50 19 12 o 1.5322  0.9881 ?       ?         -0.25  0.55   -0.03  -0.01  
1 1 1 50 19 13 o 2.3926  1.0859 ?       ?         -0.28  0.14   0.00   -0.00  
1 1 1 50 19 14 o 4.2040  0.7127 ?       ?         0.30   -0.03  0.00   -0.00  
1 1 1 50 19 15 o 2.0572  1.3422 ?       ?         0.27   -0.26  -0.00  -0.00  
1 1 1 50 19 16 o 1.7782  1.3673 ?       ?         0.09   -0.07  0.00   -0.00  
1 1 1 50 20 0  o 0.0000  2.3238 1.8342  -0.0000   -0.02  0.00   0.00   0.00   
1 1 1 50 20 1  o 3.8874  0.3676 2.5629  47.600    0.43   -0.08  -0.01  -0.03  
1 1 1 50 20 2  o 2.2388  0.6427 1.9817  178.700   -0.11  0.33   -0.02  0.02   
1 1 1 50 20 3  o 4.1204  0.3315 4.2659  47.700    0.32   1.06   -0.02  -0.12  
1 1 1 50 20 4  o 2.5438  0.4767 2.1241  94.800    -0.29  -0.41  -0.04  -0.02  
1 1 1 50 20 5  o 5.2296  0.2672 5.4748  -44.5000  0.65   -0.47  -0.07  -0.08  
1 1 1 50 20 6  o 0.0000  1.5000 ?       ?         -0.06  -0.17  -0.03  -0.01  
1 1 1 50 20 7  o 3.2070  0.4228 3.3465  -38.4000  1.09   -0.10  0.02   0.13   
1 1 1 50 20 8  o 2.5123  0.6288 2.6792  164.000   0.10   0.02   -0.00  0.00   
1 1 1 50 20 9  o 2.2401  1.0354 2.3689  121.400   0.05   0.77   0.04   0.02   
1 1 1 50 20 10 o 5.1493  0.3914 ?       ?         -0.18  -0.09  -0.00  0.00   
1 1 1 50 20 11 o 4.7767  0.4875 ?       ?         -0.55  0.14   0.01   -0.00  
1 1 1 50 20 12 o 3.0209  0.6692 ?       ?         -0.32  -0.20  0.00   0.01   
1 1 1 50 20 13 o 1.9016  1.1216 ?       ?         -0.16  0.52   -0.01  0.00   
1 1 1 50 20 14 o 3.1277  1.0065 ?       ?         -0.50  0.55   -0.01  -0.01  
1 1 1 50 20 15 o 2.2692  1.3034 ?       ?         0.03   -0.27  -0.00  0.00   
1 1 1 50 20 16 o 0.0000  4.1352 ?       ?         0.09   -0.49  0.00   0.00   
1 1 1 50 21 0  o 4.3704  0.5633 6.2766  180.000   -0.37  0.00   0.00   0.00   
1 1 1 50 21 1  o 3.9178  0.4238 3.8599  -29.5000  -0.03  0.32   -0.02  -0.00  
1 1 1 50 21 2  o 3.2885  0.5087 1.0882  -61.3000  -0.07  -0.86  -0.12  0.04   
1 1 1 50 21 3  o 7.9353  0.1974 7.6316  -125.3000 -0.99  -2.92  0.30   0.87   
1 1 1 50 21 4  o 7.8585  0.2130 8.3009  153.400   0.16   1.40   -0.10  -0.15  
1 1 1 50 21 5  o 6.8423  0.2138 8.2760  -169.4000 -1.91  0.02   0.45   -0.39  
1 1 1 50 21 6  o 2.4539  0.5025 3.7846  -141.5000 -0.09  -0.66  -0.02  -0.07  
1 1 1 50 21 7  o 5.3104  0.2872 6.0295  18.800    1.04   0.85   -0.12  0.16   
1 1 1 50 21 8  o 5.4791  0.3160 5.7566  57.300    1.08   0.15   0.10   -0.05  
1 1 1 50 21 9  o 0.6470  0.7504 1.1789  95.500    -0.01  -0.07  -0.00  0.00   
1 1 1 50 21 10 f 5.1794  0.3860 ?       ?         -0.28  0.28   0.00   -0.01  
1 1 1 50 21 11 o 2.1577  0.7732 ?       ?         0.37   -0.25  0.00   -0.01  
1 1 1 50 21 12 o 4.5576  0.5469 ?       ?         -0.63  0.57   0.01   -0.00  
1 1 1 50 21 13 o 1.6342  1.2066 ?       ?         -0.12  -0.36  -0.00  0.00   
1 1 1 50 21 14 o 0.0000  2.6878 ?       ?         -0.18  0.15   -0.00  -0.00  
1 1 1 50 21 15 o 3.0331  1.5965 ?       ?         0.28   -0.21  0.00   0.00   
1 1 1 50 21 16 o 7.4297  1.0259 ?       ?         0.43   -0.03  0.00   0.00   
1 1 1 50 22 0  o 0.0000  2.3452 1.1654  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 50 22 1  o 5.2334  0.3427 5.4166  -144.1000 -0.43  -1.21  0.04   0.18   
1 1 1 50 22 2  o 4.1968  0.5866 5.4144  29.500    1.35   -0.03  -0.04  -0.08  
1 1 1 50 22 3  o 1.7620  0.8458 0.2455  81.200    -0.21  -0.15  0.01   -0.01  
1 1 1 50 22 4  o 2.8185  0.4871 3.3263  160.300   0.14   -0.32  -0.01  0.01   
1 1 1 50 22 5  o 1.4483  0.6431 1.0605  149.400   -0.03  0.04   0.00   -0.00  
1 1 1 50 22 6  o 6.0999  0.2279 7.0987  -132.5000 -0.22  0.30   -0.02  -0.01  
1 1 1 50 22 7  o 2.5556  0.5164 2.8892  -112.0000 -0.28  -0.49  0.03   0.03   
1 1 1 50 22 8  o 3.7668  0.4179 3.0376  172.500   -0.27  0.66   -0.04  0.02   
1 1 1 50 22 9  o 7.0720  0.4447 ?       ?         -1.32  3.70   -0.30  0.33   
1 1 1 50 22 10 o 3.6807  0.5564 ?       ?         -1.20  0.40   0.06   -0.03  
1 1 1 50 22 11 f 4.1405  1.1221 ?       ?         -0.41  -0.04  0.00   -0.00  
1 1 1 50 22 12 f 6.0035  0.5660 ?       ?         0.80   -0.41  0.01   -0.00  
1 1 1 50 22 13 f 3.2013  1.4029 ?       ?         -0.24  0.01   0.00   0.00   
1 1 1 50 22 14 o 3.3015  1.2251 ?       ?         -0.84  -0.73  0.00   0.00   
1 1 1 50 22 15 o 6.6783  1.0935 ?       ?         0.06   0.15   0.00   0.00   
1 1 1 50 23 0  o 0.0000  2.3238 0.2123  -0.0000   -0.08  0.00   0.00   0.00   
1 1 1 50 23 1  o 2.9803  0.5303 2.5238  9.9000    -0.19  0.46   0.02   -0.02  
1 1 1 50 23 2  o 6.5099  0.2837 6.7546  165.400   -0.56  -0.97  0.05   0.11   
1 1 1 50 23 3  o 1.6620  0.8134 2.7019  -126.8000 0.02   -0.15  -0.00  0.00   
1 1 1 50 23 4  f 4.6612  0.3793 4.6504  -163.0000 -0.47  0.05   0.01   0.01   
1 1 1 50 23 5  o 5.2408  0.2838 4.3450  56.500    -0.61  -0.53  -0.06  0.02   
1 1 1 50 23 6  o 8.5631  0.2430 9.4276  -104.3000 0.02   -1.16  -0.05  0.03   
1 1 1 50 23 7  o 2.7437  1.2318 1.9573  -144.5000 -0.25  -0.31  0.01   -0.00  
1 1 1 50 23 8  f 2.2110  0.6172 ?       ?         0.04   0.54   -0.03  0.01   
1 1 1 50 23 9  o 3.3542  0.6477 ?       ?         0.26   0.50   0.00   0.01   
1 1 1 50 23 10 o 3.5678  1.2327 ?       ?         0.52   0.24   0.01   -0.01  
1 1 1 50 23 11 o 4.1352  0.6775 ?       ?         -0.56  0.76   0.00   0.00   
1 1 1 50 23 12 o 3.3559  0.8431 ?       ?         0.02   -0.26  -0.00  -0.00  
1 1 1 50 23 13 o 4.3818  1.2260 ?       ?         0.84   0.88   0.00   0.00   
1 1 1 50 23 14 o 0.0000  3.4929 ?       ?         0.82   0.67   0.00   0.00   
1 1 1 50 24 0  o 3.8210  0.6227 3.3435  -180.0000 -0.31  0.00   0.00   0.00   
1 1 1 50 24 1  o 7.6633  0.2786 7.3427  54.200    1.31   1.44   -0.19  0.13   
1 1 1 50 24 2  o 5.6970  0.3483 5.4878  51.700    0.15   0.24   0.00   0.01   
1 1 1 50 24 3  o 0.0000  1.7423 ?       ?         -0.14  -0.24  -0.02  0.00   
1 1 1 50 24 4  o 1.7272  0.8075 0.6441  141.200   0.06   0.35   -0.02  0.01   
1 1 1 50 24 5  o 7.6664  0.4524 7.5317  119.000   -0.89  1.90   -0.02  -0.10  
1 1 1 50 24 6  o 3.6616  0.6810 4.6001  83.900    0.35   0.97   -0.05  -0.02  
1 1 1 50 24 7  o 3.5379  0.5169 3.9191  170.400   -0.76  -0.64  -0.04  0.04   
1 1 1 50 24 8  f 9.2743  0.4316 ?       ?         1.32   -0.23  0.02   -0.01  
1 1 1 50 24 9  o 8.1573  1.0466 ?       ?         -0.17  -0.95  0.00   0.00   
1 1 1 50 24 10 o 1.8974  0.9694 ?       ?         -0.06  -0.14  0.00   0.00   
1 1 1 50 24 11 f 0.0000  2.7568 ?       ?         0.01   0.76   0.00   0.00   
1 1 1 50 24 12 o 4.2426  0.8653 ?       ?         0.16   -0.24  0.00   0.00   
1 1 1 50 24 13 o 1.3784  1.4366 ?       ?         0.06   0.13   0.00   0.00   
1 1 1 50 25 0  o 1.5492  1.1617 1.5662  -0.0000   0.07   0.00   0.00   0.00   
1 1 1 50 25 1  o 4.7502  0.5641 3.9267  139.500   -0.66  0.52   0.02   0.00   
1 1 1 50 25 2  o 5.1865  0.6171 3.7789  141.600   -1.00  0.95   0.00   -0.05  
1 1 1 50 25 3  o 1.8380  1.0240 2.9192  46.400    0.51   -0.18  0.02   0.01   
1 1 1 50 25 4  o 3.2828  1.5284 1.9554  29.300    -0.17  0.28   -0.00  0.00   
1 1 1 50 25 5  o 3.8758  1.4380 3.1763  -23.3000  0.09   0.13   0.00   0.00   
1 1 1 50 25 6  o 4.0125  0.7449 4.5691  -122.3000 0.49   0.46   0.01   0.01   
1 1 1 50 25 7  o 3.7075  1.0211 ?       ?         -0.06  0.20   -0.00  -0.00  
1 1 1 50 25 8  o 0.0000  2.6729 ?       ?         -0.10  0.19   -0.00  -0.00  
1 1 1 50 25 9  o 8.1149  1.2557 ?       ?         1.87   0.94   -0.00  0.01   
1 1 1 50 25 10 o 0.7746  1.1190 ?       ?         0.24   -0.02  0.00   0.00   
1 1 1 50 25 11 o 1.0488  1.1326 ?       ?         -0.27  0.37   0.00   0.00   
1 1 1 50 26 0  o 2.6268  0.9644 0.6082  0.0000    -0.10  0.00   0.00   0.00   
1 1 1 50 26 1  o 7.6043  0.4745 6.5061  66.800    1.93   0.64   0.06   0.06   
1 1 1 50 26 2  o 2.5131  0.9161 0.6826  39.600    -0.44  -0.18  0.01   0.01   
1 1 1 50 26 3  o 3.0916  0.6890 2.0819  -138.2000 0.23   -0.16  0.00   -0.00  
1 1 1 50 26 4  o 2.6240  0.9178 3.3396  72.500    0.60   0.17   0.01   0.01   
1 1 1 50 26 5  o 1.9211  1.1737 1.8731  77.400    -0.18  0.28   -0.00  -0.00  
1 1 1 50 26 6  o 3.6261  0.9345 ?       ?         -0.28  0.06   0.00   -0.00  
1 1 1 50 26 7  o 4.3800  0.9615 ?       ?         -0.53  -0.07  0.00   -0.00  
1 1 1 50 26 8  o 4.6488  0.9625 ?       ?         0.01   -0.21  -0.00  -0.00  
1 1 1 50 26 9  o 6.1552  1.0639 ?       ?         -0.43  -0.84  -0.00  -0.00  
1 1 1 50 26 10 f 5.0200  0.8279 ?       ?         1.14   0.23   0.00   0.00   
1 1 1 50 27 0  o 2.7019  0.9898 2.8028  -0.0000   -0.07  0.00   0.00   0.00   
1 1 1 50 27 1  o 6.7746  0.5159 7.1833  -86.9000  0.17   -0.96  -0.00  -0.02  
1 1 1 50 27 2  o 7.1106  0.4813 8.4387  98.900    0.68   1.54   -0.03  0.05   
1 1 1 50 27 3  o 3.2281  0.8448 2.9330  43.000    0.96   0.70   0.02   0.04   
1 1 1 50 27 4  o 1.2894  1.2680 1.3201  54.300    0.13   -0.14  -0.00  -0.00  
1 1 1 50 27 5  o 4.9263  1.0801 ?       ?         1.04   0.78   0.02   -0.00  
1 1 1 50 27 6  o 3.4491  0.9244 ?       ?         0.25   0.60   -0.01  0.00   
1 1 1 50 27 7  o 5.0362  0.9001 ?       ?         0.34   0.11   0.00   -0.00  
1 1 1 50 27 8  o 6.9723  2.1255 ?       ?         -0.74  0.20   -0.00  0.00   
1 1 1 50 27 9  o 4.9463  1.2568 ?       ?         -0.43  -0.89  0.00   -0.00  
1 1 1 50 28 0  f 1.6432  1.4617 0.7728  -180.0000 0.07   0.00   0.00   0.00   
1 1 1 50 28 1  o 9.4014  0.5352 7.6645  -26.8000  1.70   -1.22  0.02   -0.04  
1 1 1 50 28 2  o 8.2345  0.5493 7.0963  131.600   -1.90  1.48   0.04   -0.05  
1 1 1 50 28 3  o 4.4460  1.0651 ?       ?         1.17   0.00   0.01   0.02   
1 1 1 50 28 4  o 5.6184  2.4494 ?       ?         0.54   -0.59  -0.01  0.00   
1 1 1 50 28 5  o 2.5389  1.2611 ?       ?         0.20   0.17   0.00   0.00   
1 1 1 50 28 6  o 3.8857  1.0110 ?       ?         -0.14  -0.55  -0.00  0.00   
1 1 1 50 28 7  f 7.4941  1.6730 ?       ?         0.84   1.73   0.02   -0.00  
1 1 1 50 28 8  o 5.3659  2.5328 ?       ?         -0.25  0.05   -0.00  -0.00  
1 1 1 50 29 0  o 0.0000  3.7417 ?       ?         0.04   0.00   0.00   0.00   
1 1 1 50 29 1  o 5.0184  0.8361 ?       ?         1.38   0.51   0.01   0.01   
1 1 1 50 29 2  o 3.5138  1.0614 ?       ?         0.15   -0.50  -0.00  -0.00  
1 1 1 50 29 3  o 4.4054  0.8548 ?       ?         -0.32  0.41   0.00   -0.00  
1 1 1 50 29 4  o 0.0000  2.4282 ?       ?         -0.23  0.15   0.00   -0.00  
1 1 1 50 29 5  o 3.6441  1.0973 ?       ?         -0.84  0.56   0.00   -0.01  
1 1 1 50 29 6  o 3.0759  1.5139 ?       ?         0.15   -0.28  0.00   -0.00  
1 1 1 50 29 7  f 3.6878  1.6667 ?       ?         0.21   0.88   -0.00  -0.00  
1 1 1 50 30 0  o 0.0000  3.8471 ?       ?         0.33   0.00   0.00   0.00   
1 1 1 50 30 1  o 5.4370  2.3722 ?       ?         -0.67  -1.10  0.03   0.01   
1 1 1 50 30 2  o 6.3273  0.7727 ?       ?         0.78   -0.86  0.01   -0.00  
1 1 1 50 30 3  o 4.5909  1.1652 ?       ?         -0.12  0.64   -0.00  0.00   
1 1 1 50 30 4  o 7.7912  0.8684 ?       ?         -2.17  -0.86  -0.02  0.01   
1 1 1 50 30 5  o 4.7179  2.2268 ?       ?         0.38   -0.03  -0.00  -0.00  
1 1 1 50 30 6  o 5.2249  1.5955 ?       ?         0.00   -1.05  0.00   0.00   
1 1 1 50 31 0  o 3.7947  1.6331 ?       ?         0.12   0.00   0.00   0.00   
1 1 1 50 31 1  o 0.7644  1.3291 ?       ?         -0.10  0.40   -0.00  -0.00  
1 1 1 50 31 2  o 5.4108  1.0663 ?       ?         0.87   0.07   -0.00  -0.00  
1 1 1 50 31 3  o 3.0570  1.3789 ?       ?         -0.69  0.28   -0.00  0.00   
1 1 1 50 31 4  o 4.9497  1.6575 ?       ?         -0.26  0.02   0.00   0.00   
1 1 1 50 32 0  o 4.9193  1.5174 ?       ?         -0.20  0.00   0.00   0.00   
1 1 1 51 0  1  o 7.7653  0.3153 7.6783  45.000    -0.02  -0.02  0.00   0.00   
1 1 1 51 0  2  o 4.2779  0.4806 3.4014  180.000   -0.36  0.00   0.00   0.00   
1 1 1 51 0  3  f 4.4833  0.4809 4.4022  135.000   0.26   -0.26  0.00   0.00   
1 1 1 51 0  4  o 2.1679  0.7755 1.8172  90.000    -0.00  -0.09  0.00   0.00   
1 1 1 51 0  5  f 7.5829  0.3223 7.2612  -135.0000 0.10   0.10   0.00   0.00   
1 1 1 51 0  6  o 13.561  0.2427 13.395  -180.0000 0.50   0.00   0.00   0.00   
1 1 1 51 0  7  o 6.7380  0.3921 6.9837  135.000   -0.50  0.50   0.00   0.00   
1 1 1 51 0  8  f 8.4853  0.3014 9.2527  -90.0000  0.00   0.12   0.00   0.00   
1 1 1 51 0  9  o 10.242  0.2710 10.520  45.000    0.55   0.55   0.00   0.00   
1 1 1 51 0  10 o 3.1623  0.7287 3.6381  0.0000    0.18   0.00   0.00   0.00   
1 1 1 51 0  11 o 7.2801  0.4274 9.6717  135.000   -0.72  0.72   0.00   0.00   
1 1 1 51 0  12 o 2.4900  0.8451 0.3473  90.000    -0.00  -0.02  0.00   0.00   
1 1 1 51 0  13 o 4.2544  0.6198 ?       ?         0.48   0.48   0.00   0.00   
1 1 1 51 0  14 o 1.5166  1.0414 ?       ?         -0.08  0.00   0.00   0.00   
1 1 1 51 0  15 o 0.0000  2.5298 ?       ?         -0.04  0.04   0.00   0.00   
1 1 1 51 0  16 o 2.7928  0.9836 ?       ?         -0.00  -0.10  0.00   0.00   
1 1 1 51 0  17 o 2.3452  1.1170 ?       ?         -0.13  -0.13  0.00   0.00   
1 1 1 51 0  18 o 3.4059  1.0062 ?       ?         -0.15  0.00   0.00   0.00   
1 1 1 51 1  0  f 4.3932  0.4425 5.1169  -180.0000 -0.14  0.00   0.00   0.00   
1 1 1 51 1  1  o 6.5179  0.3605 6.0850  -179.1000 -0.07  -0.60  0.01   -0.02  
1 1 1 51 1  2  o 15.328  0.1504 14.324  85.200    -1.63  0.23   0.40   -0.17  
1 1 1 51 1  3  o 6.2855  0.2595 4.7118  125.900   -1.31  -0.62  0.26   -0.29  
1 1 1 51 1  4  o 4.2959  0.3587 3.9847  13.800    0.46   0.24   -0.05  0.02   
1 1 1 51 1  5  o 5.6049  0.3043 5.1597  129.700   -0.84  0.22   0.27   -0.01  
1 1 1 51 1  6  o 4.6224  0.7441 5.6480  131.400   -0.92  1.52   -0.02  0.12   
1 1 1 51 1  7  o 4.7192  0.3671 2.4815  124.700   0.31   -0.49  -0.03  0.02   
1 1 1 51 1  8  o 3.1205  0.4488 2.6148  -127.0000 -0.11  -0.50  -0.08  -0.03  
1 1 1 51 1  9  o 8.5039  0.2176 8.2464  177.100   -0.34  1.30   -0.07  -0.25  
1 1 1 51 1  10 o 8.0777  0.2711 8.6400  34.400    1.64   0.24   0.33   0.11   
1 1 1 51 1  11 f 2.4030  0.6462 3.9352  -6.0000   0.26   -0.05  0.01   -0.01  
1 1 1 51 1  12 o 5.7575  0.3409 6.7694  170.000   -0.53  1.00   0.05   -0.09  
1 1 1 51 1  13 f 1.7036  0.7609 ?       ?         0.20   0.16   0.01   0.01   
1 1 1 51 1  14 o 0.9892  0.8986 ?       ?         -0.06  -0.44  -0.02  -0.02  
1 1 1 51 1  15 o 3.5812  0.5444 ?       ?         0.74   0.33   -0.02  0.03   
1 1 1 51 1  16 f 3.8221  0.5488 ?       ?         -0.01  0.58   -0.01  0.01   
1 1 1 51 1  17 o 1.8080  0.8948 ?       ?         -0.21  0.08   0.00   -0.00  
1 1 1 51 1  18 o 2.6222  0.8607 ?       ?         -0.39  -0.84  -0.01  0.01   
1 1 1 51 2  0  o 3.0984  0.5876 2.5086  0.0000    0.01   0.00   0.00   0.00   
1 1 1 51 2  1  o 6.3060  0.3752 6.7874  -14.4000  0.62   -0.52  -0.04  0.03   
1 1 1 51 2  2  o 4.3288  0.3882 1.7059  68.700    0.75   0.41   -0.08  -0.01  
1 1 1 51 2  3  o 6.0704  0.3383 5.3717  102.700   -0.33  0.58   -0.01  0.04   
1 1 1 51 2  4  o 2.4801  0.5139 1.8225  -130.6000 -0.22  -0.27  -0.04  -0.01  
1 1 1 51 2  5  o 3.3490  0.4454 3.5274  -92.8000  0.16   -0.48  -0.05  -0.09  
1 1 1 51 2  6  o 6.5505  0.2653 6.5149  -176.4000 -0.19  0.60   0.03   -0.03  
1 1 1 51 2  7  o 9.6213  0.2180 8.8679  107.300   -0.55  0.85   0.02   -0.15  
1 1 1 51 2  8  f 6.8489  0.3714 4.9276  -41.5000  1.14   -1.23  0.15   0.08   
1 1 1 51 2  9  o 6.3840  0.2684 7.6499  117.900   0.22   0.66   -0.10  0.00   
1 1 1 51 2  10 o 5.8230  0.3396 5.8261  144.700   0.27   -0.10  0.01   -0.01  
1 1 1 51 2  11 o 6.2880  0.4455 5.8705  130.300   1.08   -0.30  0.02   0.05   
1 1 1 51 2  12 o 8.8792  0.2552 8.6023  11.700    0.87   0.46   0.02   0.07   
1 1 1 51 2  13 o 2.4176  0.6431 ?       ?         -0.48  0.02   0.01   -0.03  
1 1 1 51 2  14 o 3.2521  1.1931 ?       ?         0.26   0.30   0.01   -0.00  
1 1 1 51 2  15 o 5.4302  0.6637 ?       ?         0.90   0.02   0.00   -0.02  
1 1 1 51 2  16 o 2.3948  0.7685 ?       ?         -0.21  -0.49  -0.02  0.00   
1 1 1 51 2  17 f 2.7340  0.7820 ?       ?         -0.10  0.49   -0.00  -0.00  
1 1 1 51 2  18 o 5.4289  0.6054 ?       ?         -0.98  -0.71  -0.01  0.00   
1 1 1 51 3  0  o 9.9950  0.2441 9.6675  0.0000    -0.05  0.00   0.00   0.00   
1 1 1 51 3  1  o 6.7454  0.3447 4.4852  159.900   -2.29  1.91   -0.50  0.35   
1 1 1 51 3  2  o 9.0078  0.2847 7.5631  -102.3000 -1.38  -0.37  -0.01  -0.15  
1 1 1 51 3  3  o 10.250  0.1889 8.6197  153.000   -0.74  -0.59  0.11   -0.03  
1 1 1 51 3  4  f 5.2849  0.3743 6.3085  -168.8000 -0.92  0.17   -0.06  -0.04  
1 1 1 51 3  5  o 1.8761  0.6526 2.0309  -124.2000 -0.36  -0.06  -0.02  0.06   
1 1 1 51 3  6  o 3.7490  0.6335 3.7113  29.000    0.29   -0.52  -0.01  0.02   
1 1 1 51 3  7  o 0.9392  0.8088 0.2984  -21.8000  0.14   0.07   0.01   -0.01  
1 1 1 51 3  8  f 3.8722  0.3894 3.8364  67.600    -0.28  0.07   0.01   0.01   
1 1 1 51 3  9  o 5.8424  0.2862 4.6124  -149.7000 -2.06  -0.70  -0.35  0.32   
1 1 1 51 3  10 o 7.2358  0.5905 7.5085  -32.6000  0.76   0.11   -0.01  -0.02  
1 1 1 51 3  11 o 5.0541  0.4692 4.0125  175.200   -1.14  0.17   0.01   0.07   
1 1 1 51 3  12 o 6.9180  0.3130 6.8438  128.000   1.01   0.80   -0.09  0.04   
1 1 1 51 3  13 o 0.7646  0.8617 ?       ?         0.33   -0.26  0.03   0.01   
1 1 1 51 3  14 o 0.7901  0.8728 ?       ?         0.17   -0.01  0.00   -0.00  
1 1 1 51 3  15 o 2.9185  0.5976 ?       ?         -0.10  -0.34  -0.01  0.01   
1 1 1 51 3  16 o 8.2189  0.3383 ?       ?         1.29   -0.16  0.04   0.00   
1 1 1 51 3  17 o 3.9481  1.7588 ?       ?         0.62   0.34   -0.01  0.01   
1 1 1 51 3  18 o 1.7272  1.1216 ?       ?         -0.61  0.11   0.00   -0.01  
1 1 1 51 4  0  f 1.6125  0.8232 0.7826  -0.0000   0.08   0.00   0.00   0.00   
1 1 1 51 4  1  o 4.4089  0.4750 5.0659  -10.7000  0.96   -0.88  0.07   0.10   
1 1 1 51 4  2  o 8.9730  0.2507 8.0541  -68.9000  1.28   -0.14  -0.04  0.14   
1 1 1 51 4  3  o 4.6021  0.3256 5.1634  84.500    0.21   0.90   -0.01  -0.15  
1 1 1 51 4  4  o 13.257  0.1642 12.996  135.500   -1.23  2.25   -0.95  0.00   
1 1 1 51 4  5  o 3.5565  0.4299 4.6564  -32.4000  0.28   0.16   0.03   0.01   
1 1 1 51 4  6  f 7.3055  0.2552 6.9792  118.100   -0.18  0.61   -0.02  -0.08  
1 1 1 51 4  7  o 5.8955  0.5957 6.8262  30.000    2.98   1.78   0.12   -0.42  
1 1 1 51 4  8  o 3.6899  1.6238 2.5683  -7.9000   -1.16  0.48   -0.02  0.05   
1 1 1 51 4  9  o 3.7157  0.4088 3.8723  -170.9000 -0.36  -0.36  0.04   0.04   
1 1 1 51 4  10 o 0.6446  0.8244 0.9961  -137.5000 -0.30  0.01   0.04   0.01   
1 1 1 51 4  11 o 3.4868  0.5526 3.3547  -83.9000  -0.34  -0.35  -0.02  -0.00  
1 1 1 51 4  12 o 4.8287  0.4043 6.5223  -138.2000 -0.49  -0.63  0.03   0.06   
1 1 1 51 4  13 o 0.1727  0.6018 ?       ?         -0.15  -0.08  0.01   0.00   
1 1 1 51 4  14 o 3.1529  0.5962 ?       ?         -0.13  -0.59  -0.01  0.02   
1 1 1 51 4  15 o 2.8620  0.5871 ?       ?         0.20   0.10   0.00   0.00   
1 1 1 51 4  16 o 5.6541  1.3557 ?       ?         1.36   1.19   -0.03  -0.02  
1 1 1 51 4  17 o 3.7440  0.5782 ?       ?         -0.13  0.51   -0.00  0.00   
1 1 1 51 4  18 o 1.7496  1.0503 ?       ?         0.48   -0.61  -0.00  -0.01  
1 1 1 51 5  0  o 8.5849  0.2599 9.4763  -0.0000   -0.19  0.00   0.00   0.00   
1 1 1 51 5  1  o 6.8512  0.2302 7.6822  -137.2000 -0.74  0.50   0.23   0.02   
1 1 1 51 5  2  o 4.6373  0.3298 5.3656  9.9000    -0.16  0.16   -0.01  0.00   
1 1 1 51 5  3  o 4.1280  0.7825 3.4606  76.600    0.02   1.77   0.10   0.06   
1 1 1 51 5  4  o 6.8657  0.3431 6.9170  -163.9000 -0.87  0.79   0.07   0.06   
1 1 1 51 5  5  o 2.7464  1.2490 1.5558  130.500   0.75   0.85   0.09   -0.10  
1 1 1 51 5  6  f 2.2260  0.7568 2.4758  -61.0000  -0.52  -0.18  -0.06  0.03   
1 1 1 51 5  7  o 11.403  0.1959 11.104  150.900   -1.36  3.50   -1.56  0.19   
1 1 1 51 5  8  o 6.7775  0.2401 6.3935  150.600   -0.01  0.55   -0.01  -0.04  
1 1 1 51 5  9  o 0.0000  1.5410 ?       ?         0.23   0.10   0.06   -0.01  
1 1 1 51 5  10 o 5.1782  0.3915 5.1648  112.100   0.09   -0.32  -0.00  0.01   
1 1 1 51 5  11 o 2.8347  1.3045 2.0550  120.100   -0.13  -0.44  -0.00  -0.02  
1 1 1 51 5  12 o 5.4174  0.3744 4.6994  92.300    0.38   -0.26  -0.01  -0.01  
1 1 1 51 5  13 o 2.3356  1.0945 ?       ?         -0.49  0.32   0.03   0.02   
1 1 1 51 5  14 o 6.0399  0.8559 ?       ?         0.64   3.22   -0.03  -0.19  
1 1 1 51 5  15 o 2.0210  0.9567 ?       ?         -0.34  -0.55  0.01   0.03   
1 1 1 51 5  16 f 4.4712  0.4612 ?       ?         0.08   0.19   -0.00  0.00   
1 1 1 51 5  17 o 3.0031  0.7131 ?       ?         -0.52  1.42   -0.02  -0.04  
1 1 1 51 5  18 o 3.0367  1.3977 ?       ?         0.91   0.55   0.01   0.00   
1 1 1 51 6  0  o 11.623  0.2278 11.087  -0.0000   0.51   0.00   0.00   0.00   
1 1 1 51 6  1  o 6.4953  0.3439 6.7327  25.500    1.44   -0.52  -0.01  0.17   
1 1 1 51 6  2  o 9.8011  0.2645 9.1111  -34.3000  0.12   -3.04  0.40   -0.59  
1 1 1 51 6  3  o 7.2929  0.2356 6.6516  -30.7000  0.08   -0.15  -0.00  0.00   
1 1 1 51 6  4  o 2.2196  1.0339 0.7559  -109.4000 -0.23  -0.05  -0.01  0.00   
1 1 1 51 6  5  f 10.479  0.1914 9.7138  179.600   -0.69  1.31   -0.12  -0.34  
1 1 1 51 6  6  o 1.8774  0.9016 2.5868  119.500   -0.77  0.08   -0.01  0.17   
1 1 1 51 6  7  o 6.2653  0.2856 6.8366  -77.2000  0.70   -0.24  0.08   0.04   
1 1 1 51 6  8  o 2.5090  0.5176 3.0998  -77.3000  0.18   0.25   -0.02  0.03   
1 1 1 51 6  9  o 8.2333  0.2247 8.0568  -31.3000  0.76   0.32   -0.04  0.05   
1 1 1 51 6  10 o 1.7578  0.8613 1.6200  78.900    -0.44  0.18   0.02   0.04   
1 1 1 51 6  11 o 6.7418  0.3168 6.1147  -9.0000   -0.54  -0.53  -0.02  0.05   
1 1 1 51 6  12 o 5.1282  0.4888 5.4837  23.200    0.11   -0.07  0.00   0.00   
1 1 1 51 6  13 o 1.6191  0.8414 ?       ?         0.42   -0.74  -0.10  0.04   
1 1 1 51 6  14 o 2.8467  0.7962 ?       ?         0.12   0.27   -0.01  -0.00  
1 1 1 51 6  15 o 7.7870  0.5030 ?       ?         0.37   1.78   -0.05  -0.03  
1 1 1 51 6  16 o 2.8047  0.6465 ?       ?         0.09   -0.43  -0.01  0.00   
1 1 1 51 6  17 o 1.9630  1.0448 ?       ?         -0.55  -0.10  0.00   0.01   
1 1 1 51 6  18 o 2.5006  0.8535 ?       ?         -0.05  0.60   -0.00  -0.00  
1 1 1 51 7  0  o 4.8888  0.4222 6.6382  180.000   -0.11  0.00   0.00   0.00   
1 1 1 51 7  1  o 4.8926  0.4875 4.4824  126.200   -1.56  -1.25  0.10   -0.22  
1 1 1 51 7  2  o 3.2612  0.5234 2.4093  -140.1000 0.88   0.70   0.07   -0.11  
1 1 1 51 7  3  o 8.1802  0.4308 6.7401  -121.2000 -1.23  -2.92  0.04   -0.35  
1 1 1 51 7  4  o 3.2024  0.4642 3.8232  -63.3000  -0.51  -0.24  -0.04  0.01   
1 1 1 51 7  5  o 4.8251  0.3326 4.7272  -3.9000   0.76   0.20   0.19   0.09   
1 1 1 51 7  6  o 3.8466  0.4501 4.1172  -145.5000 0.27   -0.81  -0.01  0.07   
1 1 1 51 7  7  o 3.0884  0.4614 3.3171  22.300    0.24   0.04   -0.00  0.01   
1 1 1 51 7  8  o 0.0000  1.4908 ?       ?         0.05   0.16   0.01   0.02   
1 1 1 51 7  9  o 9.3021  0.2072 9.3377  -1.9000   0.13   1.07   -0.07  0.11   
1 1 1 51 7  10 o 4.2602  0.5064 2.4089  5.0000    -0.89  -0.12  -0.00  -0.05  
1 1 1 51 7  11 o 7.4556  0.2938 5.5348  -107.5000 -1.01  0.49   0.08   -0.07  
1 1 1 51 7  12 o 0.0000  1.7299 ?       ?         -0.06  0.05   -0.00  -0.00  
1 1 1 51 7  13 o 2.6369  0.6028 ?       ?         -0.03  -0.18  -0.00  0.00   
1 1 1 51 7  14 o 1.9271  0.9350 ?       ?         0.22   0.03   0.00   0.01   
1 1 1 51 7  15 o 0.0000  1.8098 ?       ?         -0.49  0.03   0.03   0.01   
1 1 1 51 7  16 o 0.9410  0.9154 ?       ?         -0.09  0.46   -0.00  -0.02  
1 1 1 51 7  17 o 2.5596  0.7291 ?       ?         -0.22  0.06   0.00   -0.00  
1 1 1 51 7  18 o 5.5826  0.6106 ?       ?         0.74   -1.50  0.00   -0.01  
1 1 1 51 8  0  o 4.9092  0.4293 7.2416  180.000   -0.24  0.00   0.00   0.00   
1 1 1 51 8  1  o 14.761  0.1868 13.099  130.600   -2.72  2.07   -0.84  -0.11  
1 1 1 51 8  2  o 4.9961  0.3434 5.5766  161.000   -2.00  0.24   -0.15  0.34   
1 1 1 51 8  3  o 7.3422  0.2420 7.9305  -149.7000 -0.23  -0.31  -0.01  -0.01  
1 1 1 51 8  4  o 6.5616  0.2518 5.2905  142.600   1.06   0.28   0.04   -0.17  
1 1 1 51 8  5  o 10.358  0.1854 9.6096  -127.4000 -1.83  -0.26  0.16   0.45   
1 1 1 51 8  6  o 0.6719  0.7544 1.2738  147.900   0.07   -0.13  -0.00  -0.02  
1 1 1 51 8  7  o 6.0116  0.2851 5.7500  30.000    -0.05  -0.47  -0.02  0.04   
1 1 1 51 8  8  o 6.3342  0.5673 5.5341  -108.1000 0.56   -0.20  -0.01  -0.00  
1 1 1 51 8  9  o 1.5121  0.7521 1.1131  5.4000    -0.11  -0.05  -0.00  0.00   
1 1 1 51 8  10 o 2.4369  0.6354 1.0696  -13.8000  0.28   0.26   0.03   0.01   
1 1 1 51 8  11 o 1.9216  0.6854 2.8327  -129.9000 -0.27  0.22   0.01   -0.03  
1 1 1 51 8  12 o 0.0000  1.7605 ?       ?         -0.01  -0.02  -0.00  0.00   
1 1 1 51 8  13 o 2.9497  0.5834 ?       ?         0.31   -0.27  -0.00  -0.02  
1 1 1 51 8  14 o 1.5607  0.8371 ?       ?         -0.44  0.47   -0.04  -0.04  
1 1 1 51 8  15 f 3.2071  0.6303 ?       ?         0.07   -0.33  -0.00  -0.00  
1 1 1 51 8  16 o 1.6204  0.9625 ?       ?         -0.01  0.00   0.00   -0.00  
1 1 1 51 8  17 o 4.1305  1.1531 ?       ?         -0.06  -0.28  0.00   0.00   
1 1 1 51 9  0  f 2.3452  0.6852 0.8029  0.0000    -0.06  0.00   0.00   0.00   
1 1 1 51 9  1  o 10.310  0.1747 10.915  -170.8000 -0.44  0.20   0.05   -0.03  
1 1 1 51 9  2  o 8.8501  0.1946 8.3613  125.600   -1.35  0.75   -0.30  -0.14  
1 1 1 51 9  3  o 5.6066  0.2712 6.1081  152.700   -0.18  0.60   0.05   -0.04  
1 1 1 51 9  4  o 5.4017  0.3028 3.7434  120.000   -0.42  0.58   -0.04  0.03   
1 1 1 51 9  5  o 5.1299  0.3198 4.5832  127.000   -0.52  0.34   0.09   -0.05  
1 1 1 51 9  6  o 4.7164  0.3580 5.5107  24.400    1.42   -0.62  0.14   0.20   
1 1 1 51 9  7  o 4.1219  0.3764 3.0802  -14.7000  -0.06  -0.33  -0.03  -0.00  
1 1 1 51 9  8  o 2.3651  1.0903 3.3011  -52.6000  -0.48  0.18   -0.03  -0.00  
1 1 1 51 9  9  o 8.3278  0.2219 8.4168  -36.7000  0.07   1.36   -0.14  0.18   
1 1 1 51 9  10 f 4.4964  0.4213 4.3557  92.000    -0.70  0.02   0.07   0.01   
1 1 1 51 9  11 o 3.3817  0.5446 3.3730  72.000    0.24   0.10   0.01   0.00   
1 1 1 51 9  12 o 2.2772  0.6498 ?       ?         -0.22  -0.27  0.00   0.02   
1 1 1 51 9  13 o 3.1612  0.9497 ?       ?         -0.10  -0.62  -0.00  -0.02  
1 1 1 51 9  14 o 6.8091  0.7463 ?       ?         -1.43  -1.02  -0.05  0.02   
1 1 1 51 9  15 o 7.7774  0.4229 ?       ?         2.46   2.45   -0.15  0.14   
1 1 1 51 9  16 o 4.1322  0.7108 ?       ?         -0.35  0.09   0.00   0.00   
1 1 1 51 9  17 o 3.7081  1.1902 ?       ?         0.16   -1.29  -0.02  0.01   
1 1 1 51 10 0  o 6.0828  0.3493 8.3378  -180.0000 -0.58  0.00   0.00   0.00   
1 1 1 51 10 1  o 3.6683  0.4699 2.8629  -118.0000 -0.79  -1.52  0.25   -0.02  
1 1 1 51 10 2  o 6.7046  0.2447 6.4105  -173.1000 -0.67  -0.01  0.17   0.01   
1 1 1 51 10 3  o 3.4073  0.4049 4.3476  30.000    0.11   -0.38  -0.01  -0.05  
1 1 1 51 10 4  o 5.7503  0.2669 7.0261  -56.8000  0.93   -0.10  0.02   -0.19  
1 1 1 51 10 5  o 3.8717  0.4029 3.5442  67.400    0.31   -0.04  -0.01  -0.01  
1 1 1 51 10 6  o 6.5359  0.2605 6.4912  66.800    0.16   1.00   -0.13  -0.13  
1 1 1 51 10 7  o 4.3902  0.3747 3.0536  138.800   -0.35  1.02   0.08   -0.11  
1 1 1 51 10 8  o 0.5610  0.7355 0.4234  -134.9000 0.07   0.00   0.00   -0.00  
1 1 1 51 10 9  o 3.1756  1.0358 3.2709  71.500    0.76   -1.14  0.09   0.05   
1 1 1 51 10 10 o 4.7112  0.3939 4.4004  1.6000    0.68   0.48   0.06   0.04   
1 1 1 51 10 11 f 1.4841  0.7606 1.7618  -14.3000  0.14   0.21   -0.01  0.01   
1 1 1 51 10 12 o 4.1089  0.6644 ?       ?         -0.27  0.31   -0.01  0.00   
1 1 1 51 10 13 o 5.2363  0.3766 ?       ?         0.18   1.01   -0.07  0.00   
1 1 1 51 10 14 o 2.1119  0.7511 ?       ?         0.28   -0.21  0.00   -0.01  
1 1 1 51 10 15 o 4.9823  0.4597 ?       ?         -0.56  -0.68  0.00   0.02   
1 1 1 51 10 16 o 4.5090  0.6428 ?       ?         0.32   -0.27  -0.00  -0.00  
1 1 1 51 10 17 o 0.0000  2.2631 ?       ?         0.07   0.42   -0.00  0.00   
1 1 1 51 11 0  o 3.8859  0.4981 2.2617  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 51 11 1  o 8.9805  0.2012 9.6311  33.900    1.95   1.93   1.32   0.43   
1 1 1 51 11 2  o 5.9444  0.2731 6.8266  72.300    0.61   1.48   -0.50  -0.31  
1 1 1 51 11 3  o 7.0388  0.2362 7.2138  139.600   -0.32  0.22   0.01   -0.04  
1 1 1 51 11 4  o 2.6413  0.5063 3.5534  -175.4000 0.03   0.21   0.01   0.01   
1 1 1 51 11 5  o 6.7992  0.4483 6.5096  -118.5000 -2.09  -2.01  0.27   -0.24  
1 1 1 51 11 6  o 6.9707  0.2502 7.3021  22.900    0.72   0.77   -0.16  0.15   
1 1 1 51 11 7  o 5.6563  0.3046 6.0041  -0.4000   0.56   0.09   0.05   -0.03  
1 1 1 51 11 8  o 3.1831  0.4396 1.9607  2.8000    -0.33  0.40   0.04   -0.00  
1 1 1 51 11 9  f 5.7409  0.6748 4.7597  -104.8000 0.19   -1.92  0.05   0.09   
1 1 1 51 11 10 o 7.3319  0.2830 6.8708  -82.5000  1.49   -0.28  0.07   -0.16  
1 1 1 51 11 11 o 5.7888  0.3490 5.1288  157.700   -0.49  0.16   0.02   -0.02  
1 1 1 51 11 12 o 5.4943  0.4644 ?       ?         -0.66  -0.48  -0.02  0.01   
1 1 1 51 11 13 o 2.6591  0.9874 ?       ?         0.14   -0.22  0.00   -0.00  
1 1 1 51 11 14 o 7.2113  0.3481 ?       ?         1.94   -1.21  0.03   -0.15  
1 1 1 51 11 15 o 4.1522  0.5582 ?       ?         0.36   0.70   0.01   0.01   
1 1 1 51 11 16 o 5.5666  0.4898 ?       ?         0.56   -2.15  -0.01  -0.07  
1 1 1 51 11 17 o 5.8250  0.5392 ?       ?         0.90   -0.07  0.00   0.01   
1 1 1 51 12 0  f 0.9487  0.9024 1.4987  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 51 12 1  o 8.8557  0.1925 8.0406  -160.4000 0.85   -0.69  -0.15  -0.13  
1 1 1 51 12 2  o 3.6943  0.3941 2.6411  145.600   -0.34  -0.21  0.01   -0.01  
1 1 1 51 12 3  o 2.6060  1.1754 3.3842  82.200    -0.40  0.74   -0.01  0.08   
1 1 1 51 12 4  f 6.7014  0.2497 5.6464  132.400   0.01   1.81   -0.01  -0.44  
1 1 1 51 12 5  o 3.1119  0.4620 3.3964  -68.0000  0.54   0.26   0.08   -0.01  
1 1 1 51 12 6  o 6.6711  0.2604 7.1328  -41.8000  1.01   0.97   -0.21  0.23   
1 1 1 51 12 7  o 6.9965  0.2562 6.1179  -36.3000  0.25   0.10   0.01   0.00   
1 1 1 51 12 8  f 7.3056  0.2429 9.1802  -71.3000  0.10   -0.46  0.01   -0.02  
1 1 1 51 12 9  o 2.7297  0.5030 3.2362  -156.8000 -0.24  -0.40  0.02   0.04   
1 1 1 51 12 10 f 4.7665  0.3803 3.5645  58.700    0.09   0.07   0.00   -0.00  
1 1 1 51 12 11 o 6.7721  0.2799 6.7565  101.600   -0.18  0.70   -0.03  -0.04  
1 1 1 51 12 12 o 1.5960  0.8068 ?       ?         0.48   -0.23  -0.03  -0.03  
1 1 1 51 12 13 o 2.5981  0.6531 ?       ?         -0.62  0.58   -0.01  -0.05  
1 1 1 51 12 14 o 4.4958  0.4765 ?       ?         0.38   -0.61  -0.02  0.00   
1 1 1 51 12 15 o 5.6870  0.4647 ?       ?         -0.49  -0.22  -0.00  0.01   
1 1 1 51 12 16 f 2.3696  0.8598 ?       ?         0.42   0.34   -0.00  0.00   
1 1 1 51 12 17 o 4.1273  0.8317 ?       ?         -0.42  -0.11  -0.00  0.00   
1 1 1 51 13 0  o 8.0498  0.2935 7.9147  -0.0000   -0.57  0.00   0.00   0.00   
1 1 1 51 13 1  f 8.1393  0.2018 6.5227  42.600    -0.72  -0.21  0.13   0.02   
1 1 1 51 13 2  o 2.9209  0.6960 3.2036  -109.3000 -0.44  -0.27  0.01   -0.02  
1 1 1 51 13 3  o 5.5188  0.2890 4.2192  107.800   -0.32  0.41   -0.06  -0.01  
1 1 1 51 13 4  o 13.104  0.1950 11.619  158.700   0.03   -0.23  -0.00  0.00   
1 1 1 51 13 5  f 5.0820  0.5989 4.6931  112.500   0.70   0.69   0.03   -0.03  
1 1 1 51 13 6  o 2.9029  0.5010 2.9468  -173.7000 -0.13  -0.11  -0.00  0.01   
1 1 1 51 13 7  o 4.1710  0.3960 3.2370  -109.1000 -0.33  0.35   -0.02  -0.03  
1 1 1 51 13 8  o 2.5368  0.5203 3.3523  118.900   0.15   -0.02  0.01   -0.00  
1 1 1 51 13 9  o 8.4210  0.5096 8.7045  -169.7000 -0.58  0.23   0.00   0.01   
1 1 1 51 13 10 o 5.1766  0.3202 5.8267  37.400    1.52   0.35   0.30   -0.04  
1 1 1 51 13 11 o 2.4143  0.6179 ?       ?         0.11   -0.37  -0.02  0.00   
1 1 1 51 13 12 o 3.9286  1.7454 ?       ?         -0.36  -0.14  -0.01  0.00   
1 1 1 51 13 13 o 2.3149  0.7318 ?       ?         -0.50  -0.19  0.00   0.02   
1 1 1 51 13 14 o 2.3453  0.7055 ?       ?         -0.15  0.06   0.00   -0.00  
1 1 1 51 13 15 o 6.0963  0.7860 ?       ?         -0.24  -0.76  0.00   0.01   
1 1 1 51 13 16 f 4.0218  0.6288 ?       ?         0.89   0.54   -0.01  0.01   
1 1 1 51 13 17 o 4.2300  1.8410 ?       ?         -0.20  1.89   0.01   -0.03  
1 1 1 51 14 0  o 4.7223  0.4434 5.7551  180.000   0.09   0.00   0.00   0.00   
1 1 1 51 14 1  o 1.7347  0.8274 1.1289  -19.0000  0.44   0.69   0.16   -0.03  
1 1 1 51 14 2  o 2.4689  0.5103 0.9353  75.500    0.20   0.18   0.02   0.00   
1 1 1 51 14 3  o 7.7882  0.2753 6.4400  -160.0000 1.43   0.57   -0.15  0.09   
1 1 1 51 14 4  o 4.2963  0.3682 3.8202  55.000    0.27   -0.06  -0.00  -0.01  
1 1 1 51 14 5  o 2.8828  0.4960 3.1881  9.3000    -0.10  0.44   -0.02  0.03   
1 1 1 51 14 6  o 2.2902  0.5720 4.1167  121.300   -0.31  -0.17  0.03   -0.01  
1 1 1 51 14 7  o 3.2600  0.4724 2.8949  -9.6000   0.19   0.20   -0.01  0.01   
1 1 1 51 14 8  o 2.7889  0.5240 3.0357  156.300   -0.30  0.50   -0.06  -0.02  
1 1 1 51 14 9  o 6.6581  0.3632 5.6204  -154.9000 -1.37  -0.87  0.13   -0.06  
1 1 1 51 14 10 o 6.1105  0.3818 7.3007  126.800   -1.23  -0.63  0.06   -0.07  
1 1 1 51 14 11 o 3.5128  0.5037 ?       ?         0.34   -0.64  -0.02  -0.03  
1 1 1 51 14 12 o 2.0648  0.7370 ?       ?         -0.02  -0.02  0.00   0.00   
1 1 1 51 14 13 o 2.7148  1.2298 ?       ?         0.14   -0.23  -0.00  0.00   
1 1 1 51 14 14 o 5.0818  0.8373 ?       ?         0.29   0.68   -0.00  -0.01  
1 1 1 51 14 15 o 4.9984  0.5887 ?       ?         0.12   -0.35  -0.00  -0.00  
1 1 1 51 14 16 o 2.8131  1.2593 ?       ?         -0.72  -0.75  -0.01  0.01   
1 1 1 51 14 17 o 4.4663  1.9727 ?       ?         -0.01  0.50   0.00   -0.00  
1 1 1 51 15 0  o 3.5214  0.5576 5.5430  0.0000    -0.21  0.00   0.00   0.00   
1 1 1 51 15 1  o 2.3257  0.5329 0.9599  -133.6000 0.10   -0.10  0.00   0.00   
1 1 1 51 15 2  o 3.4065  0.4982 4.8873  20.800    1.99   0.67   0.03   -0.35  
1 1 1 51 15 3  o 8.3288  0.2671 8.1454  22.400    1.52   -0.76  0.11   0.16   
1 1 1 51 15 4  o 5.9273  0.3878 7.4923  155.200   -1.38  0.56   0.03   0.13   
1 1 1 51 15 5  o 6.1637  0.3541 6.0645  10.600    0.42   -1.51  0.13   -0.10  
1 1 1 51 15 6  o 10.183  0.3263 10.551  -86.7000  1.54   -3.69  -0.35  0.60   
1 1 1 51 15 7  o 6.6890  0.3868 7.2312  77.700    -0.86  1.21   -0.09  0.07   
1 1 1 51 15 8  o 3.7301  0.4416 3.7545  -17.7000  0.45   0.08   0.02   -0.01  
1 1 1 51 15 9  o 2.4982  0.5336 1.2509  -142.9000 -0.19  -0.12  0.00   0.01   
1 1 1 51 15 10 o 5.2007  0.3231 5.5820  79.400    -1.16  1.16   -0.19  -0.03  
1 1 1 51 15 11 o 4.9774  0.3881 ?       ?         -0.79  0.08   0.03   0.01   
1 1 1 51 15 12 o 2.1688  0.6400 ?       ?         0.11   0.33   -0.01  0.01   
1 1 1 51 15 13 o 5.2882  0.4380 ?       ?         0.66   0.44   0.01   0.02   
1 1 1 51 15 14 o 2.1119  1.1182 ?       ?         -0.11  0.07   -0.00  -0.00  
1 1 1 51 15 15 o 3.5503  1.2591 ?       ?         -0.26  -0.53  0.00   0.00   
1 1 1 51 15 16 o 3.6292  0.9498 ?       ?         -0.15  0.47   -0.00  -0.00  
1 1 1 51 16 0  o 2.7019  0.6658 1.8100  0.0000    0.28   0.00   0.00   0.00   
1 1 1 51 16 1  o 4.5929  0.3293 4.8174  -7.1000   -0.79  1.32   -0.33  0.14   
1 1 1 51 16 2  f 5.8799  0.2590 6.1869  28.300    0.22   0.27   -0.02  0.02   
1 1 1 51 16 3  o 2.6067  1.1755 1.4506  20.100    -0.14  -0.23  -0.00  -0.01  
1 1 1 51 16 4  o 3.9055  0.3634 4.2635  -175.0000 0.27   0.36   0.02   0.00   
1 1 1 51 16 5  o 4.5930  0.3795 5.1677  105.000   -0.19  0.57   0.02   -0.02  
1 1 1 51 16 6  o 5.4912  0.3041 5.1760  -127.5000 -0.06  -1.25  -0.27  0.00   
1 1 1 51 16 7  o 2.8536  0.5079 1.9472  -164.8000 -0.19  -0.27  -0.02  0.01   
1 1 1 51 16 8  o 4.7740  0.3567 5.2394  91.500    -0.34  0.81   0.03   -0.07  
1 1 1 51 16 9  o 5.2885  0.5274 5.6438  80.600    -0.27  0.97   0.03   -0.02  
1 1 1 51 16 10 o 10.736  0.2689 ?       ?         1.50   -1.96  -0.24  0.04   
1 1 1 51 16 11 o 2.4339  1.1016 ?       ?         0.48   0.10   0.01   -0.02  
1 1 1 51 16 12 o 4.2752  0.9219 ?       ?         0.12   -0.28  0.00   -0.00  
1 1 1 51 16 13 o 3.4536  1.5451 ?       ?         -0.10  -0.63  -0.00  -0.02  
1 1 1 51 16 14 o 2.3656  1.0710 ?       ?         -0.45  1.09   -0.02  -0.05  
1 1 1 51 16 15 o 1.8561  1.2449 ?       ?         0.58   0.30   0.01   0.00   
1 1 1 51 16 16 o 1.7370  1.4214 ?       ?         -0.11  -0.66  -0.00  -0.00  
1 1 1 51 17 0  o 5.9076  0.3734 3.6933  180.000   0.03   0.00   0.00   0.00   
1 1 1 51 17 1  o 2.5298  1.1335 0.5925  17.500    0.08   -0.47  0.01   0.02   
1 1 1 51 17 2  o 1.5477  0.6253 2.4019  -49.6000  0.32   -0.02  0.02   0.04   
1 1 1 51 17 3  o 4.8643  0.3097 6.2341  -43.7000  -0.51  -0.34  -0.01  0.08   
1 1 1 51 17 4  f 4.1234  0.3618 2.7157  -15.9000  0.43   0.41   -0.03  -0.01  
1 1 1 51 17 5  o 9.1776  0.2612 9.2310  -71.8000  -0.09  -1.32  -0.02  -0.10  
1 1 1 51 17 6  o 3.6624  1.0584 4.4208  111.300   0.05   -0.29  0.00   0.00   
1 1 1 51 17 7  o 3.9313  0.4236 3.7546  -23.0000  -0.25  0.06   -0.00  -0.00  
1 1 1 51 17 8  o 7.4154  0.2560 7.0292  -90.9000  0.55   -1.42  -0.10  -0.18  
1 1 1 51 17 9  o 6.8616  0.2492 7.8569  75.600    1.94   0.19   0.13   0.29   
1 1 1 51 17 10 o 1.1718  0.8146 ?       ?         -0.47  -0.27  0.04   0.02   
1 1 1 51 17 11 o 5.6228  0.4092 ?       ?         -0.33  0.16   0.00   0.00   
1 1 1 51 17 12 f 4.8440  0.5376 ?       ?         -0.16  0.57   0.00   -0.01  
1 1 1 51 17 13 o 2.5587  1.1720 ?       ?         0.17   0.50   -0.01  -0.00  
1 1 1 51 17 14 o 3.0374  0.8118 ?       ?         -0.44  -0.01  0.00   -0.00  
1 1 1 51 17 15 o 3.3418  0.9041 ?       ?         -0.69  0.22   0.00   0.00   
1 1 1 51 17 16 o 0.4300  1.1340 ?       ?         -0.12  0.59   -0.00  -0.00  
1 1 1 51 18 0  o 2.2583  0.6993 1.2065  -180.0000 -0.01  0.00   0.00   0.00   
1 1 1 51 18 1  o 3.5010  0.3897 4.1426  -167.3000 -0.62  0.82   0.15   -0.09  
1 1 1 51 18 2  o 3.5025  0.3694 4.1744  -114.8000 0.18   -0.04  0.00   -0.01  
1 1 1 51 18 3  o 3.7094  0.3832 4.0513  159.600   -0.55  -0.36  0.08   0.04   
1 1 1 51 18 4  o 0.6826  0.7254 2.3440  -133.2000 -0.03  -0.09  -0.01  0.00   
1 1 1 51 18 5  o 3.3852  0.4269 3.0384  162.800   -0.49  0.03   0.04   0.02   
1 1 1 51 18 6  o 4.2368  0.3477 4.5288  -130.0000 -0.69  -0.77  -0.00  0.19   
1 1 1 51 18 7  o 3.2175  1.4340 2.5195  -161.2000 -0.50  -0.11  -0.01  0.00   
1 1 1 51 18 8  o 1.9747  0.6500 2.4925  174.200   0.00   -0.19  -0.00  -0.01  
1 1 1 51 18 9  o 2.7731  0.5098 1.9663  102.200   0.81   0.42   0.01   0.12   
1 1 1 51 18 10 o 2.7896  1.2175 ?       ?         0.23   -0.61  0.02   -0.03  
1 1 1 51 18 11 o 3.6922  0.8931 ?       ?         -0.18  0.28   -0.00  0.00   
1 1 1 51 18 12 o 0.0000  1.8506 ?       ?         -0.28  0.13   0.00   -0.01  
1 1 1 51 18 13 o 5.6970  0.5199 ?       ?         0.81   -1.10  0.01   -0.01  
1 1 1 51 18 14 o 1.3668  1.1417 ?       ?         0.40   0.63   -0.01  0.01   
1 1 1 51 18 15 o 3.9623  1.0294 ?       ?         -0.04  0.02   -0.00  0.00   
1 1 1 51 18 16 f 3.7884  1.1727 ?       ?         -0.27  -0.29  -0.00  -0.00  
1 1 1 51 19 0  o 1.6432  0.7532 0.5560  -0.0000   0.11   0.00   0.00   0.00   
1 1 1 51 19 1  o 1.3735  0.6788 1.9982  175.900   -0.31  -0.02  -0.01  -0.03  
1 1 1 51 19 2  o 6.0993  0.2431 4.2837  -101.0000 -0.58  1.05   -0.21  -0.20  
1 1 1 51 19 3  o 5.6312  0.2608 6.8575  -144.7000 -1.72  -0.17  0.06   0.39   
1 1 1 51 19 4  o 6.9858  0.2241 7.0712  -45.3000  -0.16  -0.09  -0.00  0.00   
1 1 1 51 19 5  o 4.7793  0.3176 4.3549  28.500    -0.16  0.71   -0.04  -0.07  
1 1 1 51 19 6  o 7.4634  0.2442 7.6757  98.700    -0.81  1.34   -0.16  0.05   
1 1 1 51 19 7  o 3.7406  0.4136 4.6056  36.800    0.49   0.63   0.04   0.02   
1 1 1 51 19 8  o 6.0769  0.2862 6.9007  147.800   -0.60  1.04   0.05   -0.09  
1 1 1 51 19 9  o 3.6447  0.6704 ?       ?         -0.61  0.24   -0.01  -0.01  
1 1 1 51 19 10 o 2.4709  0.5819 ?       ?         -0.12  -0.38  -0.01  0.01   
1 1 1 51 19 11 o 2.8747  0.6473 ?       ?         -0.33  0.41   0.01   -0.01  
1 1 1 51 19 12 o 2.1659  0.8655 ?       ?         -0.08  0.08   -0.00  -0.00  
1 1 1 51 19 13 o 5.4092  0.5945 ?       ?         -0.10  -0.30  -0.00  -0.00  
1 1 1 51 19 14 o 0.0000  2.2509 ?       ?         0.25   0.09   0.00   0.00   
1 1 1 51 19 15 o 2.6308  1.2401 ?       ?         0.16   0.65   -0.00  0.00   
1 1 1 51 19 16 o 2.3022  1.5062 ?       ?         0.11   0.01   0.00   0.00   
1 1 1 51 20 0  o 6.2929  0.4095 6.5321  -0.0000   0.03   0.00   0.00   0.00   
1 1 1 51 20 1  o 4.7913  0.2966 3.9010  15.600    -0.50  -0.37  0.05   0.03   
1 1 1 51 20 2  o 4.2898  0.3468 4.2435  -157.1000 -0.22  -1.05  -0.01  0.14   
1 1 1 51 20 3  o 6.1759  0.2300 6.7525  96.300    -0.71  0.76   -0.14  -0.08  
1 1 1 51 20 4  f 3.9896  0.3422 1.6468  -142.6000 -0.28  0.71   -0.03  0.04   
1 1 1 51 20 5  o 6.0619  0.3192 5.8454  70.700    0.68   -1.25  0.12   -0.06  
1 1 1 51 20 6  o 2.8593  0.5796 1.9936  -8.2000   -0.52  0.68   -0.05  0.03   
1 1 1 51 20 7  o 3.1781  0.5419 2.4691  -3.9000   0.42   -0.50  0.03   0.00   
1 1 1 51 20 8  o 4.4401  0.3950 5.3840  34.200    0.98   -0.68  -0.06  -0.08  
1 1 1 51 20 9  f 3.5359  0.4040 ?       ?         -0.39  0.13   0.01   -0.01  
1 1 1 51 20 10 o 7.9430  0.2926 ?       ?         1.68   -1.27  0.13   -0.07  
1 1 1 51 20 11 o 4.1039  0.5759 ?       ?         -1.26  0.69   0.03   -0.03  
1 1 1 51 20 12 o 1.7598  0.9667 ?       ?         0.57   -0.05  0.01   -0.00  
1 1 1 51 20 13 o 2.7456  1.4025 ?       ?         -0.06  0.34   -0.00  0.00   
1 1 1 51 20 14 o 5.1418  0.8873 ?       ?         0.18   -1.17  0.01   -0.00  
1 1 1 51 20 15 o 0.0000  3.6194 ?       ?         0.30   -0.18  0.00   0.00   
1 1 1 51 21 0  o 2.0000  0.8747 3.9014  180.000   -0.02  0.00   0.00   0.00   
1 1 1 51 21 1  o 0.0000  1.6950 ?       ?         -0.15  0.18   0.01   -0.02  
1 1 1 51 21 2  o 2.2398  0.6578 2.1718  -127.2000 -0.40  -0.02  0.02   -0.02  
1 1 1 51 21 3  f 7.1239  0.2654 7.8917  116.000   -0.05  1.36   -0.01  -0.12  
1 1 1 51 21 4  o 2.2729  0.5631 2.1451  132.300   0.11   0.27   0.00   0.02   
1 1 1 51 21 5  f 2.0453  0.5155 3.3745  -25.3000  0.09   0.14   -0.00  0.01   
1 1 1 51 21 6  o 4.4193  0.3387 4.5032  -0.4000   0.53   0.86   -0.09  0.09   
1 1 1 51 21 7  o 2.9477  0.4782 3.8585  113.500   -0.51  -0.04  0.03   0.00   
1 1 1 51 21 8  f 4.7625  0.3929 ?       ?         0.03   1.23   -0.08  -0.01  
1 1 1 51 21 9  o 3.7316  0.6605 ?       ?         0.06   0.12   0.00   0.00   
1 1 1 51 21 10 o 4.7009  0.7259 ?       ?         2.21   0.07   0.04   -0.08  
1 1 1 51 21 11 o 2.3009  0.9186 ?       ?         0.25   -0.27  -0.00  -0.00  
1 1 1 51 21 12 o 3.2771  0.8123 ?       ?         -0.05  -0.74  -0.01  0.00   
1 1 1 51 21 13 o 2.1679  1.1017 ?       ?         -0.43  -0.73  0.00   0.00   
1 1 1 51 21 14 o 5.1865  0.9816 ?       ?         0.76   -0.30  0.00   0.00   
1 1 1 51 21 15 o 2.9665  1.4173 ?       ?         0.14   -0.35  0.00   0.00   
1 1 1 51 22 0  o 0.0000  2.3664 0.4574  -180.0000 -0.11  0.00   0.00   0.00   
1 1 1 51 22 1  o 3.8002  0.4699 4.9763  -85.0000  0.60   -0.49  0.04   -0.01  
1 1 1 51 22 2  o 0.7609  0.8419 1.6523  52.800    -0.02  0.22   -0.01  0.00   
1 1 1 51 22 3  o 3.4439  0.8212 3.4830  -18.5000  0.46   0.20   0.00   -0.01  
1 1 1 51 22 4  o 8.3462  0.4196 8.4646  3.6000    3.35   1.27   0.21   -0.31  
1 1 1 51 22 5  o 3.6898  0.4177 4.5766  -69.4000  0.23   -0.53  -0.02  0.01   
1 1 1 51 22 6  o 3.6614  0.3915 3.8555  152.900   0.69   0.95   -0.12  0.03   
1 1 1 51 22 7  o 4.9446  0.3478 5.5449  15.400    1.59   -0.12  0.12   0.14   
1 1 1 51 22 8  o 2.7076  1.3706 ?       ?         0.61   0.34   -0.03  0.00   
1 1 1 51 22 9  f 3.6084  1.5783 ?       ?         -0.30  -0.00  0.00   -0.00  
1 1 1 51 22 10 o 5.2684  0.7691 ?       ?         -0.23  0.68   -0.01  -0.00  
1 1 1 51 22 11 f 2.7386  0.8963 ?       ?         0.11   -0.25  0.00   0.00   
1 1 1 51 22 12 o 4.9699  0.7823 ?       ?         0.13   -0.09  0.00   0.00   
1 1 1 51 22 13 o 2.9326  1.2972 ?       ?         -0.91  0.22   0.00   0.00   
1 1 1 51 22 14 o 3.0822  1.4326 ?       ?         0.04   -1.22  0.00   0.00   
1 1 1 51 23 0  o 0.0000  2.6268 1.5350  180.000   -0.08  0.00   0.00   0.00   
1 1 1 51 23 1  o 5.8933  0.9218 5.9715  2.7000    1.34   -0.39  0.01   0.04   
1 1 1 51 23 2  o 8.4466  0.3179 8.6455  -141.7000 -0.80  -2.15  -0.19  0.15   
1 1 1 51 23 3  o 1.7150  0.9404 2.4263  -33.8000  0.42   0.28   -0.02  0.03   
1 1 1 51 23 4  o 2.3202  0.8993 1.5489  141.300   -0.06  -0.37  -0.01  0.00   
1 1 1 51 23 5  o 3.0930  0.8213 1.7347  -39.7000  -0.01  -0.60  -0.01  -0.01  
1 1 1 51 23 6  o 6.6781  0.6732 6.5608  -41.2000  -0.39  -1.12  -0.02  -0.03  
1 1 1 51 23 7  o 4.7041  0.8479 ?       ?         0.60   0.19   -0.00  0.01   
1 1 1 51 23 8  o 5.2380  2.4056 ?       ?         0.66   0.56   -0.01  0.00   
1 1 1 51 23 9  o 6.7217  0.8738 ?       ?         -0.23  -1.67  -0.00  -0.00  
1 1 1 51 23 10 o 1.2649  1.1293 ?       ?         0.11   0.44   0.00   0.00   
1 1 1 51 23 11 o 2.9326  0.8345 ?       ?         0.22   0.18   0.00   0.00   
1 1 1 51 23 12 o 2.8810  1.0858 ?       ?         0.20   0.25   0.00   0.00   
1 1 1 51 23 13 f 0.0000  3.3166 ?       ?         -0.01  -0.02  0.00   0.00   
1 1 1 51 24 0  o 3.5917  1.0505 2.1925  0.0000    -0.02  0.00   0.00   0.00   
1 1 1 51 24 1  o 3.9904  0.7090 2.7069  -64.3000  0.70   0.63   -0.01  0.02   
1 1 1 51 24 2  o 2.6465  1.2902 0.5649  22.200    -0.12  -0.11  -0.00  0.00   
1 1 1 51 24 3  o 4.5227  0.6621 5.3864  -20.8000  0.88   -0.14  0.02   -0.01  
1 1 1 51 24 4  o 2.3908  0.8120 3.6647  121.400   0.14   -0.04  0.00   -0.00  
1 1 1 51 24 5  o 3.8102  1.0404 2.2985  -155.2000 0.49   -0.16  0.01   0.01   
1 1 1 51 24 6  o 1.8066  1.1341 ?       ?         0.24   -0.17  0.00   -0.00  
1 1 1 51 24 7  o 5.1484  1.0366 ?       ?         -0.28  -0.40  -0.00  -0.00  
1 1 1 51 24 8  o 6.2953  0.8122 ?       ?         -0.33  1.31   -0.01  0.00   
1 1 1 51 24 9  o 5.1109  1.2218 ?       ?         -0.85  -0.42  0.00   -0.00  
1 1 1 51 24 10 o 5.4498  0.5401 ?       ?         -1.08  -0.38  0.00   0.00   
1 1 1 51 24 11 o 3.2558  0.8424 ?       ?         0.88   -0.19  0.00   0.00   
1 1 1 51 25 0  o 2.3022  1.2956 0.7885  0.0000    -0.18  0.00   0.00   0.00   
1 1 1 51 25 1  o 2.7295  1.2533 2.4902  57.700    0.03   -0.13  0.00   -0.00  
1 1 1 51 25 2  o 2.0746  0.9785 1.8004  133.500   0.24   -0.06  0.00   0.00   
1 1 1 51 25 3  o 3.5595  1.6192 2.1942  67.400    -0.27  0.71   -0.02  0.02   
1 1 1 51 25 4  o 2.3928  0.9321 3.2203  -87.0000  -0.10  -0.29  -0.00  0.00   
1 1 1 51 25 5  o 1.9465  1.3196 ?       ?         -0.03  -0.45  -0.00  -0.00  
1 1 1 51 25 6  o 3.9971  1.0394 ?       ?         0.48   -0.51  -0.00  -0.00  
1 1 1 51 25 7  o 5.9313  0.7159 ?       ?         0.72   0.70   -0.01  0.00   
1 1 1 51 25 8  o 4.1260  1.1371 ?       ?         1.00   -1.11  -0.01  -0.00  
1 1 1 51 25 9  o 6.6165  1.0676 ?       ?         0.89   0.49   -0.00  -0.00  
1 1 1 51 26 0  o 0.5477  1.2550 0.4422  180.000   0.07   0.00   0.00   0.00   
1 1 1 51 26 1  o 9.1346  0.3886 9.6506  170.200   -2.26  -0.49  0.10   -0.01  
1 1 1 51 26 2  f 4.6735  0.6011 4.3716  -53.2000  0.95   -0.09  0.02   -0.01  
1 1 1 51 26 3  o 4.0974  1.1954 ?       ?         -0.42  0.41   0.01   -0.00  
1 1 1 51 26 4  o 5.8886  0.6958 ?       ?         0.28   0.48   -0.00  0.00   
1 1 1 51 26 5  o 4.7870  0.8680 ?       ?         -0.56  1.03   0.00   -0.01  
1 1 1 51 26 6  o 0.0000  2.7519 ?       ?         -0.39  -0.65  -0.01  0.02   
1 1 1 51 26 7  f 2.6225  1.3791 ?       ?         -0.81  -0.08  0.00   -0.00  
1 1 1 51 26 8  o 2.5981  1.4215 ?       ?         -0.29  0.15   0.00   -0.00  
1 1 1 51 26 9  o 3.1464  2.0711 ?       ?         -0.32  -0.55  0.00   0.00   
1 1 1 51 27 0  o 3.3764  1.3527 ?       ?         0.45   0.00   0.00   0.00   
1 1 1 51 27 1  o 6.0120  0.7361 ?       ?         -0.05  -0.62  -0.00  -0.00  
1 1 1 51 27 2  o 5.3573  1.1033 ?       ?         2.03   -0.07  0.00   0.05   
1 1 1 51 27 3  o 3.8081  0.9204 ?       ?         -0.01  -0.96  -0.01  0.01   
1 1 1 51 27 4  o 0.0000  2.4236 ?       ?         -0.05  -0.15  -0.00  0.00   
1 1 1 51 27 5  o 1.2890  1.1773 ?       ?         -0.06  0.73   -0.02  -0.01  
1 1 1 51 27 6  o 3.0161  1.1009 ?       ?         -0.20  -0.01  0.00   0.00   
1 1 1 51 27 7  o 0.0000  3.3151 ?       ?         0.14   0.20   -0.00  0.00   
1 1 1 51 27 8  f 0.0000  3.3545 ?       ?         -0.10  -0.10  -0.00  0.00   
1 1 1 51 28 0  o 5.5857  1.0530 ?       ?         0.65   0.00   0.00   0.00   
1 1 1 51 28 1  o 0.0000  2.6076 ?       ?         -0.35  -0.42  0.00   0.01   
1 1 1 51 28 2  o 4.1047  0.8032 ?       ?         -0.32  -0.48  -0.00  0.00   
1 1 1 51 28 3  o 4.7632  0.8140 ?       ?         0.19   0.37   -0.00  0.00   
1 1 1 51 28 4  o 2.1861  1.2056 ?       ?         -0.42  0.17   0.00   -0.00  
1 1 1 51 28 5  o 2.7625  1.6049 ?       ?         -0.10  0.13   -0.00  -0.00  
1 1 1 51 28 6  o 4.0320  1.3183 ?       ?         -0.06  0.16   0.00   0.00   
1 1 1 51 28 7  o 5.1186  1.7822 ?       ?         -0.12  -0.33  0.00   0.00   
1 1 1 51 29 0  o 0.0000  3.7947 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 51 29 1  o 4.0143  0.8748 ?       ?         -0.51  -0.34  0.00   0.00   
1 1 1 51 29 2  o 6.2368  0.7440 ?       ?         0.59   1.34   -0.01  -0.01  
1 1 1 51 29 3  f 3.2783  1.1897 ?       ?         -0.15  -0.63  -0.00  0.00   
1 1 1 51 29 4  o 4.6274  1.0049 ?       ?         0.18   0.40   0.00   -0.00  
1 1 1 51 29 5  o 5.3004  1.0840 ?       ?         0.95   0.86   -0.00  -0.01  
1 1 1 51 29 6  o 4.3243  1.8730 ?       ?         0.01   0.53   0.00   0.00   
1 1 1 51 30 0  o 5.9245  1.4054 ?       ?         -0.48  0.00   0.00   0.00   
1 1 1 51 30 1  o 5.0445  1.3855 ?       ?         0.43   -0.10  -0.00  -0.00  
1 1 1 51 30 2  o 3.4447  1.1997 ?       ?         -0.43  0.62   0.00   -0.00  
1 1 1 51 30 3  o 3.5220  1.2854 ?       ?         0.63   -0.24  -0.00  0.00   
1 1 1 51 30 4  o 2.6951  1.4757 ?       ?         0.31   -0.95  0.00   0.00   
1 1 1 51 31 0  o 8.7579  1.0935 ?       ?         0.62   0.00   0.00   0.00   
1 1 1 51 31 1  o 7.5977  0.8656 ?       ?         0.97   1.68   -0.00  -0.02  
1 1 1 52 0  0  o 0.5477  1.0446 1.0678  0.0000    -0.05  0.00   0.00   0.00   
1 1 1 52 0  1  o 2.9326  0.6096 4.3401  135.000   0.07   -0.07  0.00   0.00   
1 1 1 52 0  2  o 6.6106  0.3446 5.4445  -90.0000  0.00   0.04   0.00   0.00   
1 1 1 52 0  3  o 1.2649  0.9145 3.1048  45.000    0.18   0.18   0.00   0.00   
1 1 1 52 0  4  o 0.0000  2.2136 1.1221  180.000   -0.04  0.00   0.00   0.00   
1 1 1 52 0  5  o 8.9499  0.3181 8.5898  -45.0000  0.81   -0.81  0.00   0.00   
1 1 1 52 0  6  o 6.1156  0.4127 5.1906  90.000    0.00   0.07   0.00   0.00   
1 1 1 52 0  7  o 8.2341  0.3324 8.5134  45.000    0.22   0.22   0.00   0.00   
1 1 1 52 0  8  o 3.6742  0.5608 3.0098  0.0000    0.23   0.00   0.00   0.00   
1 1 1 52 0  9  o 7.7071  0.3591 8.5711  135.000   -0.42  0.42   0.00   0.00   
1 1 1 52 0  10 o 0.0000  2.4083 0.5163  90.000    -0.00  -0.03  0.00   0.00   
1 1 1 52 0  11 o 8.6139  0.3671 6.9666  45.000    -0.23  -0.23  0.00   0.00   
1 1 1 52 0  12 o 5.8992  0.4841 ?       ?         0.51   0.00   0.00   0.00   
1 1 1 52 0  13 f 0.0000  2.4698 ?       ?         0.02   -0.02  0.00   0.00   
1 1 1 52 0  14 o 0.0000  2.5298 ?       ?         -0.00  -0.04  0.00   0.00   
1 1 1 52 0  15 o 5.4314  0.5567 ?       ?         0.01   0.01   0.00   0.00   
1 1 1 52 0  16 o 0.0000  2.8636 ?       ?         -0.03  0.00   0.00   0.00   
1 1 1 52 0  17 o 4.1952  0.7983 ?       ?         -0.21  0.21   0.00   0.00   
1 1 1 52 1  0  o 9.3327  0.2757 8.9975  -180.0000 -0.81  0.00   0.00   0.00   
1 1 1 52 1  1  o 6.3705  0.2642 4.4206  -89.8000  0.21   0.84   -0.07  -0.12  
1 1 1 52 1  2  o 2.9030  0.4723 4.1965  -173.6000 0.01   0.05   -0.00  -0.00  
1 1 1 52 1  3  o 8.7079  0.2072 8.9295  -67.2000  -0.08  -0.96  -0.09  -0.11  
1 1 1 52 1  4  o 4.2625  0.3639 3.9697  127.800   1.07   0.67   -0.26  0.22   
1 1 1 52 1  5  o 7.1859  0.2545 6.6108  24.300    0.51   1.20   -0.19  0.34   
1 1 1 52 1  6  o 4.9775  0.3456 4.6362  37.100    -0.14  -0.46  -0.05  0.02   
1 1 1 52 1  7  o 7.3781  0.2705 5.4959  -73.6000  0.10   0.23   0.00   0.01   
1 1 1 52 1  8  o 6.2799  0.2752 6.1930  110.100   0.92   0.58   -0.08  0.15   
1 1 1 52 1  9  f 5.2345  0.3317 6.7380  -1.5000   -0.38  -0.32  0.01   0.04   
1 1 1 52 1  10 o 1.7322  0.7366 1.9474  -89.1000  -0.21  -0.26  -0.02  0.02   
1 1 1 52 1  11 o 4.8986  0.9575 4.0027  -0.5000   0.36   -0.04  -0.00  -0.00  
1 1 1 52 1  12 o 3.0755  0.5405 ?       ?         -0.30  -0.31  0.00   0.02   
1 1 1 52 1  13 o 5.2792  0.3863 ?       ?         0.35   -0.54  -0.02  -0.01  
1 1 1 52 1  14 o 6.7008  0.3423 ?       ?         0.22   0.90   -0.03  0.01   
1 1 1 52 1  15 o 1.8185  0.7723 ?       ?         -0.02  0.22   -0.00  -0.00  
1 1 1 52 1  16 o 1.8327  0.9770 ?       ?         0.35   -0.43  -0.01  -0.01  
1 1 1 52 1  17 o 3.3311  0.7041 ?       ?         -0.46  -0.20  0.00   0.00   
1 1 1 52 2  0  o 12.087  0.2313 10.790  180.000   -0.43  0.00   0.00   0.00   
1 1 1 52 2  1  o 12.547  0.2900 12.758  151.800   -0.95  0.92   0.07   0.05   
1 1 1 52 2  2  o 13.820  0.2512 13.759  -154.4000 -0.10  -2.19  0.12   0.22   
1 1 1 52 2  3  o 3.0306  1.3501 0.7852  -146.7000 -0.62  -1.18  0.02   -0.09  
1 1 1 52 2  4  o 6.4171  0.2649 6.7218  -98.1000  1.16   -0.51  -0.16  -0.13  
1 1 1 52 2  5  o 5.9632  0.2932 7.2261  139.300   -0.67  0.71   -0.17  -0.11  
1 1 1 52 2  6  o 8.5969  0.4840 8.2972  35.300    1.56   2.80   0.32   -0.05  
1 1 1 52 2  7  o 3.3261  0.4808 3.0703  -62.9000  0.05   -0.10  0.00   -0.00  
1 1 1 52 2  8  o 3.1972  0.4660 2.8909  -57.9000  -0.63  -0.84  -0.12  -0.06  
1 1 1 52 2  9  o 7.5094  0.2719 7.9926  33.100    0.58   1.33   0.10   0.11   
1 1 1 52 2  10 o 7.6437  0.2812 7.2315  176.900   -0.13  -0.82  -0.01  0.04   
1 1 1 52 2  11 o 3.3337  0.5677 2.8728  83.400    -0.21  0.65   0.02   -0.03  
1 1 1 52 2  12 o 4.7643  0.4113 ?       ?         1.13   0.88   0.02   0.14   
1 1 1 52 2  13 o 2.5498  0.6723 ?       ?         0.47   0.07   0.02   -0.02  
1 1 1 52 2  14 o 2.0703  0.7235 ?       ?         -0.22  0.11   0.00   -0.01  
1 1 1 52 2  15 o 4.1321  0.5092 ?       ?         -1.08  0.50   0.04   -0.01  
1 1 1 52 2  16 f 5.5655  0.4893 ?       ?         -0.60  0.42   -0.00  -0.01  
1 1 1 52 2  17 f 5.2001  0.5468 ?       ?         -2.27  0.22   0.03   0.04   
1 1 1 52 3  0  f 3.6194  0.5361 4.7276  0.0000    0.11   0.00   0.00   0.00   
1 1 1 52 3  1  o 6.0759  0.2909 4.9610  -169.1000 -1.37  -1.13  0.23   -0.20  
1 1 1 52 3  2  o 9.5794  0.1962 9.9376  104.700   -0.06  0.05   0.00   -0.00  
1 1 1 52 3  3  o 16.075  0.1522 16.177  153.400   -2.84  2.50   0.46   -1.14  
1 1 1 52 3  4  o 6.8480  0.2637 7.7893  -88.9000  0.26   -0.60  -0.09  -0.05  
1 1 1 52 3  5  o 1.8560  0.6452 0.3402  -94.1000  -0.18  0.07   0.02   0.00   
1 1 1 52 3  6  o 1.7050  0.6756 2.1994  -86.9000  0.08   -0.33  -0.06  -0.01  
1 1 1 52 3  7  o 3.5012  0.8489 3.8889  -82.0000  -0.54  0.50   0.02   0.02   
1 1 1 52 3  8  o 2.7341  0.5237 2.9031  156.900   -0.53  0.35   0.05   0.03   
1 1 1 52 3  9  o 12.198  0.1864 12.997  -49.9000  -0.40  -0.42  -0.01  0.02   
1 1 1 52 3  10 f 4.2347  0.8495 3.9890  -10.0000  1.90   -0.07  -0.06  0.09   
1 1 1 52 3  11 o 3.5708  0.5053 3.7432  15.000    0.11   -0.24  -0.00  -0.01  
1 1 1 52 3  12 o 6.2843  0.7357 ?       ?         0.22   0.89   -0.00  -0.02  
1 1 1 52 3  13 o 3.7320  0.6014 ?       ?         0.51   -0.45  -0.02  -0.01  
1 1 1 52 3  14 o 3.4960  0.8538 ?       ?         -0.12  0.66   -0.01  0.02   
1 1 1 52 3  15 o 4.4089  1.2604 ?       ?         1.67   0.71   -0.05  0.00   
1 1 1 52 3  16 o 0.0000  1.8188 ?       ?         -0.31  0.34   -0.02  -0.03  
1 1 1 52 3  17 o 5.6279  0.5321 ?       ?         1.24   -0.86  0.00   -0.02  
1 1 1 52 4  0  o 6.6933  0.3408 4.2524  0.0000    0.51   0.00   0.00   0.00   
1 1 1 52 4  1  o 5.6787  0.4504 4.9164  -64.4000  -1.46  -1.65  0.19   -0.16  
1 1 1 52 4  2  o 4.1651  0.3524 3.9371  121.000   0.39   -0.14  0.06   -0.05  
1 1 1 52 4  3  f 8.6674  0.2158 7.0719  141.300   -0.66  -0.66  -0.11  0.03   
1 1 1 52 4  4  o 6.3086  0.2768 6.5578  85.700    0.94   -0.32  0.07   0.10   
1 1 1 52 4  5  o 3.6068  1.0833 3.6152  160.800   -0.25  0.45   0.01   0.00   
1 1 1 52 4  6  o 3.6445  0.4716 4.1134  -179.5000 0.20   0.56   -0.01  -0.03  
1 1 1 52 4  7  o 2.2592  0.5939 1.5433  49.400    -0.07  -0.02  0.00   0.00   
1 1 1 52 4  8  o 6.3179  0.2682 7.0341  -177.4000 -0.65  -0.02  0.07   0.03   
1 1 1 52 4  9  o 2.1097  0.5699 1.2407  145.200   0.07   -0.08  0.00   -0.00  
1 1 1 52 4  10 o 6.6424  0.2952 6.0220  -96.7000  -0.76  -0.99  -0.12  0.05   
1 1 1 52 4  11 o 5.6356  0.5723 6.0244  -100.7000 -0.30  0.89   -0.01  0.03   
1 1 1 52 4  12 o 3.0286  0.5807 ?       ?         -0.73  -0.01  0.03   -0.03  
1 1 1 52 4  13 f 3.2079  1.4480 ?       ?         -1.47  -0.17  -0.03  -0.11  
1 1 1 52 4  14 o 3.9813  0.5319 ?       ?         -0.80  0.52   -0.02  -0.02  
1 1 1 52 4  15 o 3.5184  0.5932 ?       ?         0.61   0.38   -0.01  0.02   
1 1 1 52 4  16 o 4.3320  1.5821 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 52 4  17 o 2.8987  1.3303 ?       ?         0.32   -0.70  0.00   -0.01  
1 1 1 52 5  0  o 3.7014  0.5779 2.7226  180.000   0.25   0.00   0.00   0.00   
1 1 1 52 5  1  o 2.7742  0.4855 0.3930  129.900   -0.15  -0.11  0.01   0.01   
1 1 1 52 5  2  o 4.3074  0.5030 3.1907  -176.8000 -0.90  0.61   -0.07  0.02   
1 1 1 52 5  3  o 5.5860  0.2995 4.5488  -128.3000 -0.59  1.03   0.16   -0.23  
1 1 1 52 5  4  o 2.4033  0.5404 2.5737  -89.7000  -0.04  -0.51  -0.09  0.07   
1 1 1 52 5  5  o 12.300  0.1779 12.162  91.700    -1.47  -0.31  0.16   0.20   
1 1 1 52 5  6  o 6.3568  0.3875 6.1449  102.500   -1.77  1.23   -0.29  0.03   
1 1 1 52 5  7  o 8.0949  0.2486 8.8564  174.200   -0.37  -0.76  -0.05  -0.03  
1 1 1 52 5  8  o 4.8375  0.3236 2.8560  142.400   0.47   -0.49  -0.02  -0.10  
1 1 1 52 5  9  o 3.8284  0.3994 4.0802  125.000   1.31   -0.05  -0.00  0.15   
1 1 1 52 5  10 o 2.8856  1.3028 3.0782  -115.4000 0.52   -0.44  -0.04  0.01   
1 1 1 52 5  11 o 1.2894  0.8481 1.1021  28.400    0.14   0.38   -0.04  -0.01  
1 1 1 52 5  12 f 1.9437  0.9217 ?       ?         -0.11  0.11   -0.00  -0.00  
1 1 1 52 5  13 o 3.8882  0.5153 ?       ?         0.43   0.24   0.01   0.00   
1 1 1 52 5  14 o 7.1396  0.3257 ?       ?         -0.03  0.79   -0.02  -0.01  
1 1 1 52 5  15 o 4.9201  0.4462 ?       ?         -0.14  0.81   -0.01  -0.02  
1 1 1 52 5  16 o 0.0000  1.6559 ?       ?         0.05   0.73   -0.04  -0.01  
1 1 1 52 5  17 o 0.0000  2.1558 ?       ?         0.47   0.04   0.01   -0.00  
1 1 1 52 6  0  o 7.2250  0.3242 7.9592  0.0000    0.61   0.00   0.00   0.00   
1 1 1 52 6  1  o 2.5939  0.7272 2.3529  50.100    0.03   -0.13  0.00   -0.00  
1 1 1 52 6  2  f 6.6144  0.2502 6.6463  -17.2000  0.33   -0.17  0.02   -0.03  
1 1 1 52 6  3  o 4.8426  0.3203 4.9723  149.300   -0.64  0.06   0.11   0.06   
1 1 1 52 6  4  o 4.5855  0.3521 5.5720  -171.2000 0.01   0.69   -0.02  0.09   
1 1 1 52 6  5  o 5.8494  0.6060 6.0485  91.400    -2.05  0.73   -0.02  0.16   
1 1 1 52 6  6  o 3.0871  0.5047 2.2568  -157.4000 -0.13  0.08   0.00   0.00   
1 1 1 52 6  7  o 2.9649  0.5114 4.0426  -69.7000  -0.04  0.20   -0.01  -0.00  
1 1 1 52 6  8  o 2.6858  0.5225 0.5197  88.400    -0.57  -0.31  0.06   -0.04  
1 1 1 52 6  9  o 5.0848  0.3418 5.0626  157.500   -0.32  0.28   0.01   -0.02  
1 1 1 52 6  10 o 1.5874  0.8153 1.2702  -16.1000  0.55   -0.50  0.04   0.05   
1 1 1 52 6  11 o 2.5263  0.9838 2.6987  71.000    0.20   0.69   0.04   0.05   
1 1 1 52 6  12 o 6.0007  0.5896 ?       ?         -2.82  -0.01  -0.02  0.23   
1 1 1 52 6  13 o 5.1681  0.4006 ?       ?         0.00   0.42   -0.00  -0.00  
1 1 1 52 6  14 o 7.7943  0.4585 ?       ?         1.52   -2.04  0.11   -0.10  
1 1 1 52 6  15 o 3.7574  0.4867 ?       ?         -0.16  -0.54  -0.01  0.01   
1 1 1 52 6  16 o 2.7517  0.8995 ?       ?         -0.22  0.21   0.00   -0.00  
1 1 1 52 6  17 o 8.0511  2.6894 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 52 7  0  o 6.5879  0.3388 5.8533  -180.0000 -0.17  0.00   0.00   0.00   
1 1 1 52 7  1  o 4.5537  0.3309 2.5614  40.600    0.39   -0.70  0.03   -0.19  
1 1 1 52 7  2  o 4.6900  0.3211 3.8768  46.000    1.12   -0.38  -0.13  -0.08  
1 1 1 52 7  3  o 4.3769  0.3534 4.2600  8.3000    -0.06  -0.28  -0.00  -0.01  
1 1 1 52 7  4  o 4.1339  0.3802 4.4720  -140.1000 0.22   -0.64  -0.05  0.05   
1 1 1 52 7  5  o 6.6261  0.2790 5.9744  -4.8000   0.68   -0.25  0.05   -0.09  
1 1 1 52 7  6  o 3.6849  0.4324 4.0538  -58.2000  0.22   0.27   -0.00  0.02   
1 1 1 52 7  7  o 4.2076  0.3973 3.9357  133.800   0.44   0.57   -0.02  0.11   
1 1 1 52 7  8  o 2.5082  0.5302 2.6115  -39.4000  0.07   -0.08  -0.00  -0.00  
1 1 1 52 7  9  o 3.2207  0.5547 2.7371  -105.5000 -0.12  0.44   0.01   -0.02  
1 1 1 52 7  10 o 5.4406  0.3213 5.6886  121.300   -0.44  0.26   -0.01  -0.02  
1 1 1 52 7  11 o 6.2250  0.3353 5.9305  -120.4000 0.14   0.44   -0.02  0.01   
1 1 1 52 7  12 o 5.3172  0.4388 ?       ?         1.67   0.80   0.12   -0.06  
1 1 1 52 7  13 o 3.7428  0.4754 ?       ?         -0.46  0.97   0.01   -0.05  
1 1 1 52 7  14 o 4.5042  0.4775 ?       ?         -0.56  -1.01  -0.03  0.00   
1 1 1 52 7  15 o 3.5909  1.1195 ?       ?         0.12   -0.61  0.01   -0.01  
1 1 1 52 7  16 f 2.8114  0.6056 ?       ?         0.39   0.06   0.00   0.00   
1 1 1 52 7  17 o 1.8656  1.3395 ?       ?         -0.01  -0.19  -0.00  0.00   
1 1 1 52 8  0  o 7.2664  0.3162 6.1406  180.000   -0.37  0.00   0.00   0.00   
1 1 1 52 8  1  o 4.2305  0.4944 3.6987  -68.7000  0.11   0.43   0.01   0.00   
1 1 1 52 8  2  o 3.4504  0.4093 2.1835  -172.2000 -0.30  -0.43  0.05   0.06   
1 1 1 52 8  3  o 10.781  0.1878 10.445  60.600    0.58   3.11   -0.72  1.13   
1 1 1 52 8  4  o 0.0000  1.5226 ?       ?         0.01   -0.00  0.00   -0.00  
1 1 1 52 8  5  o 5.1600  0.3216 7.0665  55.700    1.10   -0.65  -0.19  -0.16  
1 1 1 52 8  6  o 4.2473  0.6277 3.8676  -87.5000  0.10   -0.82  0.02   -0.02  
1 1 1 52 8  7  o 10.887  0.1953 10.056  -152.2000 -1.45  -1.03  0.05   0.29   
1 1 1 52 8  8  f 4.5095  0.3647 4.1432  -177.1000 0.38   0.25   -0.02  0.01   
1 1 1 52 8  9  o 4.5356  0.3740 4.8139  157.300   -0.69  0.40   0.08   -0.03  
1 1 1 52 8  10 o 1.4249  0.7224 2.6768  100.200   0.03   -0.05  -0.00  -0.00  
1 1 1 52 8  11 o 3.1485  1.4094 ?       ?         0.37   -0.72  -0.02  0.04   
1 1 1 52 8  12 o 3.3877  0.5189 ?       ?         0.21   0.05   0.00   0.00   
1 1 1 52 8  13 o 1.3236  0.8270 ?       ?         -0.06  -0.05  -0.00  0.00   
1 1 1 52 8  14 o 2.8066  0.8336 ?       ?         0.35   0.37   -0.01  0.00   
1 1 1 52 8  15 o 2.4035  1.1545 ?       ?         -0.18  -0.30  -0.01  -0.00  
1 1 1 52 8  16 o 0.7904  0.8670 ?       ?         0.03   -0.47  -0.01  -0.00  
1 1 1 52 8  17 o 3.9015  1.7189 ?       ?         0.32   -0.53  0.00   -0.00  
1 1 1 52 9  0  o 3.8471  0.5220 1.8046  180.000   -0.42  0.00   0.00   0.00   
1 1 1 52 9  1  o 3.2142  0.6451 3.6163  -65.0000  0.80   -0.85  0.08   0.07   
1 1 1 52 9  2  o 7.6356  0.2215 6.5055  -109.2000 0.70   0.23   -0.04  0.05   
1 1 1 52 9  3  o 4.1818  0.3730 4.0319  -152.6000 0.18   -0.42  0.02   -0.03  
1 1 1 52 9  4  o 4.8496  0.3267 5.5886  -65.0000  0.24   1.01   0.04   0.17   
1 1 1 52 9  5  o 4.6681  0.7920 5.2655  109.800   -1.03  2.15   -0.00  0.18   
1 1 1 52 9  6  o 3.3486  0.4776 3.5758  -6.7000   0.30   -0.01  -0.00  0.01   
1 1 1 52 9  7  o 3.8415  0.4295 3.1933  -160.5000 -0.17  0.07   -0.00  -0.00  
1 1 1 52 9  8  o 3.9228  0.5724 3.8699  84.800    -0.25  0.75   -0.01  0.03   
1 1 1 52 9  9  o 1.5535  0.6965 0.7077  135.700   0.06   -0.27  -0.01  0.01   
1 1 1 52 9  10 o 4.0886  0.3630 3.6367  171.600   -0.27  0.08   0.00   0.01   
1 1 1 52 9  11 o 3.4767  0.5187 ?       ?         -0.02  -0.07  -0.00  0.00   
1 1 1 52 9  12 o 3.6940  0.4739 ?       ?         -0.80  -0.44  0.04   0.05   
1 1 1 52 9  13 o 8.4995  0.4304 ?       ?         -1.30  0.10   0.02   0.02   
1 1 1 52 9  14 o 0.0000  1.7978 ?       ?         -0.02  -0.18  -0.00  0.00   
1 1 1 52 9  15 o 0.0000  1.8852 ?       ?         -0.37  -0.18  -0.01  0.02   
1 1 1 52 9  16 o 1.2281  0.8416 ?       ?         0.23   -0.14  0.00   -0.00  
1 1 1 52 9  17 o 2.0910  1.0610 ?       ?         -0.47  0.23   0.00   -0.00  
1 1 1 52 10 0  o 1.5166  0.8395 0.9762  -180.0000 -0.18  0.00   0.00   0.00   
1 1 1 52 10 1  o 12.351  0.1675 12.416  109.400   -0.73  0.62   -0.02  -0.11  
1 1 1 52 10 2  o 4.4408  0.3403 2.6037  -140.8000 -0.30  -0.08  0.03   0.01   
1 1 1 52 10 3  o 5.4479  0.2950 4.5156  -1.9000   -0.13  0.47   -0.02  0.03   
1 1 1 52 10 4  o 5.4213  0.4247 6.0893  -7.5000   -0.86  -0.18  -0.04  0.02   
1 1 1 52 10 5  o 5.0781  0.6380 5.0445  59.500    -2.00  1.01   -0.18  0.02   
1 1 1 52 10 6  o 7.2163  0.3064 6.6585  66.600    2.69   1.65   0.53   -0.41  
1 1 1 52 10 7  o 3.6752  0.4313 4.1292  -50.0000  0.21   0.11   0.01   0.00   
1 1 1 52 10 8  o 4.2679  0.5304 3.5799  24.500    0.27   0.39   0.01   0.00   
1 1 1 52 10 9  o 1.7484  0.6461 1.3721  -54.1000  0.24   -0.27  -0.02  -0.03  
1 1 1 52 10 10 o 3.9335  0.3944 3.9631  148.900   -0.60  0.50   0.05   -0.06  
1 1 1 52 10 11 o 1.2905  0.8341 ?       ?         0.25   -0.06  -0.00  -0.01  
1 1 1 52 10 12 o 3.0117  0.5501 ?       ?         0.88   0.15   0.03   0.05   
1 1 1 52 10 13 o 3.4037  0.5892 ?       ?         -0.14  -0.07  -0.00  0.00   
1 1 1 52 10 14 o 1.4580  0.8286 ?       ?         -0.10  0.37   -0.01  -0.01  
1 1 1 52 10 15 o 6.5992  0.3888 ?       ?         -1.83  -1.33  -0.02  0.09   
1 1 1 52 10 16 o 1.2766  1.1411 ?       ?         -0.14  -0.01  0.00   0.00   
1 1 1 52 10 17 o 2.5593  1.1782 ?       ?         -1.03  0.90   0.00   0.00   
1 1 1 52 11 0  o 6.6483  0.3429 5.9135  0.0000    0.54   0.00   0.00   0.00   
1 1 1 52 11 1  o 5.9276  0.3493 5.7587  -57.1000  -0.38  -1.00  0.07   0.02   
1 1 1 52 11 2  o 1.2048  0.7603 1.0834  -95.4000  0.40   0.06   -0.01  -0.04  
1 1 1 52 11 3  o 5.4299  0.2900 5.5030  -10.0000  -0.04  0.88   -0.13  -0.12  
1 1 1 52 11 4  o 8.9103  0.2027 9.3822  12.000    1.32   1.68   0.00   0.79   
1 1 1 52 11 5  o 5.8037  0.2953 5.8110  -3.3000   0.62   0.52   -0.07  0.03   
1 1 1 52 11 6  o 3.2147  0.4660 2.0620  -145.1000 -0.44  -0.65  -0.10  0.00   
1 1 1 52 11 7  o 4.1086  0.4164 4.8542  -102.7000 0.33   -0.75  -0.03  0.04   
1 1 1 52 11 8  o 4.6779  0.3925 5.3437  174.600   -0.37  0.62   -0.02  -0.06  
1 1 1 52 11 9  o 5.3688  0.3001 5.6341  -18.5000  0.70   -0.38  0.07   -0.03  
1 1 1 52 11 10 o 5.4391  0.3246 5.4523  126.900   -1.33  1.15   -0.21  -0.12  
1 1 1 52 11 11 o 2.6966  0.5825 ?       ?         -0.15  -0.60  -0.02  -0.02  
1 1 1 52 11 12 o 4.5693  0.4629 ?       ?         -0.50  -0.39  -0.02  0.01   
1 1 1 52 11 13 o 1.5892  0.8188 ?       ?         0.09   -0.34  -0.01  -0.00  
1 1 1 52 11 14 o 3.2828  0.5954 ?       ?         0.03   -0.27  -0.00  0.00   
1 1 1 52 11 15 o 0.4531  0.8861 ?       ?         -0.72  0.64   -0.01  -0.05  
1 1 1 52 11 16 o 3.7659  0.7899 ?       ?         0.42   -0.95  0.00   -0.01  
1 1 1 52 12 0  o 4.0373  0.5127 3.1197  180.000   0.07   0.00   0.00   0.00   
1 1 1 52 12 1  o 2.3810  0.5139 0.8882  -152.3000 -0.00  -0.02  -0.00  0.00   
1 1 1 52 12 2  o 4.9563  0.3358 3.6741  -100.5000 0.30   0.99   0.08   0.05   
1 1 1 52 12 3  o 3.5705  0.5214 2.9844  -42.0000  -0.11  -1.42  0.07   -0.12  
1 1 1 52 12 4  o 1.7078  0.6526 2.2538  2.5000    -0.21  -0.30  -0.04  -0.00  
1 1 1 52 12 5  o 8.0837  0.2256 8.2663  -15.3000  1.40   0.52   -0.03  0.25   
1 1 1 52 12 6  o 3.7601  0.7184 3.3335  -74.6000  -0.41  -0.07  -0.00  -0.01  
1 1 1 52 12 7  o 2.8954  0.4927 4.0017  85.900    -0.16  -0.18  -0.01  0.00   
1 1 1 52 12 8  o 2.2668  0.6002 2.2714  97.900    0.18   0.09   0.01   0.00   
1 1 1 52 12 9  o 4.2748  0.4781 4.4921  33.300    1.12   -0.92  0.09   0.05   
1 1 1 52 12 10 o 7.9070  0.2476 7.3172  -37.1000  -0.09  -0.88  -0.04  0.05   
1 1 1 52 12 11 o 4.1992  0.4602 ?       ?         -0.34  -0.28  0.00   0.01   
1 1 1 52 12 12 o 2.8895  0.5907 ?       ?         0.13   0.60   -0.02  -0.01  
1 1 1 52 12 13 o 3.3226  0.5939 ?       ?         -0.32  0.03   0.00   -0.00  
1 1 1 52 12 14 o 3.6359  0.5740 ?       ?         -0.03  0.21   -0.00  0.00   
1 1 1 52 12 15 o 6.9385  0.4326 ?       ?         1.13   2.09   -0.04  -0.02  
1 1 1 52 12 16 o 4.9514  1.7670 ?       ?         0.68   1.23   -0.02  -0.02  
1 1 1 52 13 0  o 1.5166  0.8395 3.6829  0.0000    0.21   0.00   0.00   0.00   
1 1 1 52 13 1  o 5.4336  0.2992 3.8463  -54.5000  -0.29  -0.65  0.04   0.04   
1 1 1 52 13 2  f 5.2895  0.2905 3.2442  -78.7000  -0.43  0.14   -0.02  -0.02  
1 1 1 52 13 3  o 4.2453  0.3610 4.9239  35.200    -0.11  -0.29  -0.00  0.02   
1 1 1 52 13 4  o 7.9863  0.2225 9.3223  -68.3000  -0.89  -0.41  0.06   0.13   
1 1 1 52 13 5  o 2.3995  0.5331 2.3143  136.900   -0.17  -0.04  0.00   -0.01  
1 1 1 52 13 6  o 3.5681  0.5991 3.1193  -143.0000 -0.32  -0.10  0.00   -0.01  
1 1 1 52 13 7  f 1.3947  0.7620 2.5325  -155.1000 -0.26  0.10   0.03   0.00   
1 1 1 52 13 8  o 4.5063  0.3837 3.8746  -162.1000 -0.21  -0.54  -0.03  -0.01  
1 1 1 52 13 9  o 4.9288  0.3253 4.3418  82.800    0.13   -0.20  -0.01  -0.00  
1 1 1 52 13 10 o 0.0000  1.5075 ?       ?         0.26   -0.16  -0.02  -0.02  
1 1 1 52 13 11 o 1.6612  0.8455 ?       ?         -0.25  -0.27  -0.02  -0.00  
1 1 1 52 13 12 o 1.6279  0.9048 ?       ?         -0.11  0.09   0.00   -0.00  
1 1 1 52 13 13 o 1.6443  0.9089 ?       ?         0.26   -0.18  0.01   -0.00  
1 1 1 52 13 14 o 4.3771  0.6145 ?       ?         0.66   0.52   -0.01  0.01   
1 1 1 52 13 15 o 3.3101  0.7694 ?       ?         -0.38  0.21   0.00   0.00   
1 1 1 52 13 16 o 1.8701  1.0811 ?       ?         -0.35  0.41   0.00   -0.00  
1 1 1 52 14 0  o 9.4763  0.2668 6.9612  180.000   0.68   0.00   0.00   0.00   
1 1 1 52 14 1  o 1.4421  0.6776 1.1308  -82.9000  0.18   -0.15  -0.02  -0.02  
1 1 1 52 14 2  o 4.0528  0.3553 4.9559  -160.6000 0.42   0.30   0.03   -0.01  
1 1 1 52 14 3  o 3.1272  0.4628 3.9570  -21.6000  -0.05  -0.12  -0.00  0.00   
1 1 1 52 14 4  o 2.8467  0.5001 4.2378  64.400    0.79   0.22   -0.06  0.06   
1 1 1 52 14 5  o 7.5389  0.2348 7.3466  -166.8000 -0.75  0.42   0.03   -0.09  
1 1 1 52 14 6  o 5.7320  0.6376 6.1826  -143.8000 -1.80  -2.42  0.26   -0.10  
1 1 1 52 14 7  o 4.2307  0.3980 3.9215  59.300    0.15   0.35   0.01   0.01   
1 1 1 52 14 8  o 3.8689  0.4241 4.0999  -131.5000 -0.91  -0.38  0.02   0.09   
1 1 1 52 14 9  o 3.7212  0.3989 3.4283  72.400    -0.86  0.51   -0.06  -0.06  
1 1 1 52 14 10 o 2.9156  0.6579 ?       ?         0.19   -0.71  0.02   -0.03  
1 1 1 52 14 11 o 4.2817  0.4438 ?       ?         0.80   0.65   -0.04  0.02   
1 1 1 52 14 12 o 3.7099  1.6597 ?       ?         -0.36  0.07   -0.00  0.01   
1 1 1 52 14 13 o 4.0624  0.5362 ?       ?         1.20   -0.53  0.03   -0.01  
1 1 1 52 14 14 o 3.9814  0.6975 ?       ?         0.28   -0.30  0.00   -0.00  
1 1 1 52 14 15 o 0.0000  2.2749 ?       ?         0.27   0.42   -0.00  0.00   
1 1 1 52 14 16 o 0.8350  1.3597 ?       ?         -0.35  0.75   -0.00  -0.00  
1 1 1 52 15 0  o 3.3764  0.5424 3.5775  180.000   0.29   0.00   0.00   0.00   
1 1 1 52 15 1  o 6.8923  0.2481 7.4467  -23.0000  0.06   -0.42  -0.02  0.01   
1 1 1 52 15 2  o 2.7016  1.0478 1.5370  45.800    -0.46  -0.25  0.01   -0.02  
1 1 1 52 15 3  o 9.4970  0.2014 9.9343  151.300   -0.22  -0.47  -0.02  0.03   
1 1 1 52 15 4  o 6.4819  0.2629 6.1967  -30.3000  0.99   -2.32  -0.39  0.33   
1 1 1 52 15 5  o 10.006  0.1883 9.2902  137.500   -0.42  -0.05  0.01   0.01   
1 1 1 52 15 6  o 4.6932  0.4591 5.2985  117.300   -0.09  -0.02  -0.00  0.00   
1 1 1 52 15 7  o 3.5238  0.7772 3.5229  154.100   -0.33  1.30   0.08   -0.03  
1 1 1 52 15 8  o 1.4484  0.7954 1.4445  -51.2000  -0.16  -0.12  -0.01  0.01   
1 1 1 52 15 9  o 3.9618  0.3799 5.0779  -176.3000 -0.39  0.27   -0.01  -0.02  
1 1 1 52 15 10 o 4.7273  0.3268 ?       ?         0.56   -0.31  0.02   -0.03  
1 1 1 52 15 11 o 5.6139  0.4163 ?       ?         0.07   0.90   -0.03  -0.00  
1 1 1 52 15 12 o 0.4259  0.8278 ?       ?         0.66   0.48   0.04   0.05   
1 1 1 52 15 13 o 1.3252  1.0711 ?       ?         -0.13  0.50   -0.01  -0.00  
1 1 1 52 15 14 o 2.8029  0.8597 ?       ?         -0.01  -0.36  -0.00  -0.00  
1 1 1 52 15 15 o 3.0157  0.9252 ?       ?         1.03   -0.09  0.00   0.00   
1 1 1 52 15 16 o 0.0000  3.8210 ?       ?         -0.04  1.13   0.00   0.00   
1 1 1 52 16 0  f 4.0373  0.5030 4.5233  180.000   0.31   0.00   0.00   0.00   
1 1 1 52 16 1  o 4.8722  0.3278 4.5427  120.800   -0.21  -0.03  0.01   0.01   
1 1 1 52 16 2  o 4.1141  0.3597 4.3851  -51.1000  -0.14  -0.08  0.01   0.00   
1 1 1 52 16 3  f 6.6895  0.2789 8.3123  81.300    -1.78  1.57   -0.41  -0.02  
1 1 1 52 16 4  o 1.9999  0.6160 3.1138  32.100    0.54   -0.19  0.04   0.05   
1 1 1 52 16 5  o 3.7211  0.4153 2.5436  53.600    -0.49  -0.77  -0.06  -0.03  
1 1 1 52 16 6  o 4.5248  0.8443 4.0319  41.200    0.98   -0.45  0.00   0.03   
1 1 1 52 16 7  o 5.9455  0.3470 6.9528  -178.9000 -0.97  0.65   0.06   0.03   
1 1 1 52 16 8  o 2.1683  0.6091 2.8728  142.100   -0.43  -0.13  0.03   -0.01  
1 1 1 52 16 9  o 4.0149  0.3810 ?       ?         -1.47  0.19   0.16   -0.09  
1 1 1 52 16 10 o 4.4406  0.4088 ?       ?         0.92   -0.10  0.04   -0.02  
1 1 1 52 16 11 o 1.4874  0.9103 ?       ?         -0.11  0.07   0.00   -0.00  
1 1 1 52 16 12 o 2.6306  1.2180 ?       ?         -0.16  0.25   0.00   -0.00  
1 1 1 52 16 13 o 3.1810  1.0490 ?       ?         0.36   0.22   -0.00  0.01   
1 1 1 52 16 14 f 2.6991  0.9381 ?       ?         0.32   -0.24  -0.00  -0.00  
1 1 1 52 16 15 o 1.0401  1.3027 ?       ?         0.63   -0.64  0.00   -0.01  
1 1 1 52 16 16 o 4.2071  1.2196 ?       ?         -0.63  -1.44  0.00   0.00   
1 1 1 52 17 0  o 3.0659  0.6253 2.8623  0.0000    -0.43  0.00   0.00   0.00   
1 1 1 52 17 1  o 11.151  0.1712 10.580  177.200   1.38   -1.83  0.21   -0.32  
1 1 1 52 17 2  o 2.1819  1.0039 1.8321  119.300   0.54   0.21   -0.05  0.02   
1 1 1 52 17 3  o 2.4489  0.5224 2.0134  61.600    0.24   -0.14  -0.01  -0.01  
1 1 1 52 17 4  o 3.5339  0.8082 2.4392  84.700    0.59   -0.81  0.04   0.02   
1 1 1 52 17 5  o 2.6446  0.4998 2.5754  -46.8000  0.17   0.14   0.01   0.00   
1 1 1 52 17 6  o 3.9422  0.3986 4.3219  -29.7000  -0.13  0.54   -0.01  0.02   
1 1 1 52 17 7  o 0.0000  1.5731 ?       ?         0.07   0.02   0.00   0.00   
1 1 1 52 17 8  o 4.6806  0.3511 4.3349  -25.1000  1.09   0.05   0.12   0.03   
1 1 1 52 17 9  o 3.7179  0.4269 ?       ?         -0.38  -0.26  0.01   0.00   
1 1 1 52 17 10 o 0.0000  1.6611 ?       ?         -0.13  0.06   0.00   -0.00  
1 1 1 52 17 11 o 4.3366  1.6538 ?       ?         1.32   0.95   -0.07  -0.01  
1 1 1 52 17 12 o 4.6149  0.5169 ?       ?         -0.23  -0.07  0.00   0.00   
1 1 1 52 17 13 o 5.8948  1.5712 ?       ?         -2.01  0.88   0.02   0.06   
1 1 1 52 17 14 o 2.5514  1.0183 ?       ?         -0.25  0.20   0.00   -0.00  
1 1 1 52 17 15 o 0.7663  1.3799 ?       ?         0.09   -0.14  -0.00  -0.00  
1 1 1 52 18 0  o 3.2711  0.5658 2.1523  0.0000    -0.17  0.00   0.00   0.00   
1 1 1 52 18 1  o 10.059  0.2458 9.4855  12.200    -2.07  -0.37  0.10   -0.22  
1 1 1 52 18 2  o 5.7269  0.2726 4.9610  32.200    -0.75  -0.53  -0.06  0.09   
1 1 1 52 18 3  o 4.2550  0.5212 4.3029  -132.0000 -0.36  -0.48  0.02   -0.00  
1 1 1 52 18 4  o 8.6830  0.3731 8.9886  56.500    2.31   1.28   -0.24  0.09   
1 1 1 52 18 5  o 3.4633  0.5920 3.2340  153.000   -0.83  0.27   0.01   0.04   
1 1 1 52 18 6  o 4.2963  0.3721 4.5191  -9.6000   0.88   -1.19  0.13   -0.07  
1 1 1 52 18 7  o 2.2537  0.5727 2.1037  58.200    0.16   0.12   0.00   0.01   
1 1 1 52 18 8  o 2.1383  1.0076 ?       ?         -0.07  -0.12  -0.00  -0.00  
1 1 1 52 18 9  o 3.3916  0.4876 ?       ?         -0.20  -0.93  -0.03  -0.04  
1 1 1 52 18 10 o 2.2578  1.1426 ?       ?         -0.06  -0.02  0.00   -0.00  
1 1 1 52 18 11 o 3.7433  0.5770 ?       ?         0.35   -0.32  0.00   -0.00  
1 1 1 52 18 12 o 2.2252  0.8672 ?       ?         0.51   0.50   -0.00  0.01   
1 1 1 52 18 13 f 2.3166  0.9328 ?       ?         0.06   -0.13  -0.00  -0.00  
1 1 1 52 18 14 o 3.2153  0.9381 ?       ?         -0.30  0.25   0.00   -0.00  
1 1 1 52 18 15 o 2.0061  1.3535 ?       ?         -0.56  -0.66  -0.00  0.00   
1 1 1 52 19 0  o 4.5497  0.4300 5.7290  -0.0000   0.12   0.00   0.00   0.00   
1 1 1 52 19 1  o 5.3614  0.2758 6.7842  -96.5000  0.15   -0.75  -0.08  -0.07  
1 1 1 52 19 2  o 3.2402  0.6133 3.0941  61.700    -0.32  -0.52  -0.01  -0.02  
1 1 1 52 19 3  o 1.6636  0.6064 1.2085  33.400    -0.22  0.36   -0.03  -0.05  
1 1 1 52 19 4  o 1.6492  0.6295 1.5145  -23.0000  0.04   0.31   -0.01  0.03   
1 1 1 52 19 5  o 2.7643  0.7998 1.0867  6.9000    0.21   -0.12  0.00   0.00   
1 1 1 52 19 6  o 6.7610  0.2481 7.9804  -96.7000  -1.09  -0.82  -0.10  0.05   
1 1 1 52 19 7  o 4.6500  0.3509 5.4438  -21.2000  1.53   -0.43  0.15   -0.19  
1 1 1 52 19 8  f 2.8594  1.0484 ?       ?         -0.13  0.68   0.01   -0.03  
1 1 1 52 19 9  o 5.6606  0.5495 ?       ?         0.87   1.76   0.06   0.06   
1 1 1 52 19 10 o 6.8732  0.9165 ?       ?         0.30   3.73   -0.01  -0.16  
1 1 1 52 19 11 o 0.0000  2.1753 ?       ?         0.48   -0.15  0.01   -0.01  
1 1 1 52 19 12 o 3.6063  0.7803 ?       ?         0.79   -0.32  0.01   -0.00  
1 1 1 52 19 13 o 0.0000  2.3829 ?       ?         -0.46  -0.06  0.01   0.00   
1 1 1 52 19 14 o 2.0248  1.4965 ?       ?         -0.06  0.48   0.00   0.00   
1 1 1 52 19 15 o 5.5227  1.0549 ?       ?         -1.54  1.61   0.00   0.00   
1 1 1 52 20 0  o 1.0954  1.0581 3.0079  -180.0000 -0.17  0.00   0.00   0.00   
1 1 1 52 20 1  o 2.1012  0.5645 1.5478  147.000   0.08   0.85   -0.03  -0.10  
1 1 1 52 20 2  f 2.9702  0.4706 3.2518  84.400    0.26   -0.81  0.02   -0.08  
1 1 1 52 20 3  o 2.9770  0.4329 3.6555  16.800    0.29   -0.23  -0.01  -0.00  
1 1 1 52 20 4  o 1.2295  0.7059 2.0155  -136.4000 -0.05  -0.53  -0.03  0.08   
1 1 1 52 20 5  o 3.6424  0.7564 3.3327  -8.9000   0.37   -1.01  0.04   -0.01  
1 1 1 52 20 6  f 4.4885  0.6349 4.5265  -6.2000   -0.49  0.05   -0.00  0.01   
1 1 1 52 20 7  o 5.1834  0.3308 ?       ?         -0.19  -0.43  -0.01  0.00   
1 1 1 52 20 8  o 3.7118  0.4944 ?       ?         0.87   -0.39  0.04   -0.01  
1 1 1 52 20 9  o 7.0287  1.4078 ?       ?         0.88   -3.25  -0.06  -0.09  
1 1 1 52 20 10 o 3.4358  0.6252 ?       ?         -0.30  -0.52  -0.01  0.00   
1 1 1 52 20 11 o 2.9298  0.8851 ?       ?         0.45   0.02   0.00   0.00   
1 1 1 52 20 12 o 2.5690  1.0595 ?       ?         0.00   -0.08  0.00   0.00   
1 1 1 52 20 13 o 2.4290  1.3142 ?       ?         -0.74  0.52   0.00   0.00   
1 1 1 52 20 14 o 1.3784  1.6764 ?       ?         0.59   1.05   0.00   0.00   
1 1 1 52 20 15 f 3.9115  1.2256 ?       ?         -0.68  0.55   0.00   0.00   
1 1 1 52 21 0  o 0.0000  2.3664 0.6658  180.000   0.16   0.00   0.00   0.00   
1 1 1 52 21 1  o 9.2520  0.2461 10.169  80.900    0.14   1.72   -0.16  -0.05  
1 1 1 52 21 2  f 2.9827  0.5791 2.4048  102.500   0.54   -0.42  -0.02  -0.03  
1 1 1 52 21 3  o 0.4131  0.7012 1.3220  -44.9000  0.26   0.00   0.00   0.01   
1 1 1 52 21 4  o 1.7364  0.7934 2.1276  -60.7000  -0.01  0.07   -0.00  0.00   
1 1 1 52 21 5  o 3.1725  0.6595 3.7854  -127.0000 -0.31  0.65   0.03   -0.01  
1 1 1 52 21 6  o 2.5664  0.6511 2.6815  87.100    0.02   0.10   -0.00  -0.00  
1 1 1 52 21 7  o 4.1125  0.5009 ?       ?         0.29   -0.36  -0.01  -0.00  
1 1 1 52 21 8  o 3.8931  0.7340 ?       ?         -0.28  0.05   0.00   -0.00  
1 1 1 52 21 9  o 4.6429  0.9549 ?       ?         0.37   -0.29  -0.00  -0.00  
1 1 1 52 21 10 o 2.2457  0.8437 ?       ?         -0.18  -0.58  -0.01  0.00   
1 1 1 52 21 11 o 4.3474  0.7211 ?       ?         -0.30  -0.92  0.00   0.00   
1 1 1 52 21 12 o 3.4785  0.9172 ?       ?         -0.44  -0.16  0.00   0.00   
1 1 1 52 21 13 o 1.9494  1.3819 ?       ?         0.48   -1.16  0.00   0.00   
1 1 1 52 22 0  f 0.0000  2.7203 2.1000  180.000   0.04   0.00   0.00   0.00   
1 1 1 52 22 1  o 8.7221  0.3497 8.7989  -82.3000  1.15   -1.98  -0.12  -0.08  
1 1 1 52 22 2  o 0.0000  1.8494 ?       ?         0.14   0.22   0.00   0.01   
1 1 1 52 22 3  o 3.3230  1.4753 2.7051  9.0000    0.52   -0.02  -0.00  -0.02  
1 1 1 52 22 4  o 1.8139  1.0720 0.5493  -78.9000  0.07   -0.24  -0.00  -0.00  
1 1 1 52 22 5  o 2.8846  0.6425 2.6182  50.400    0.29   0.73   -0.04  0.03   
1 1 1 52 22 6  o 1.4077  1.0834 ?       ?         0.06   -0.10  0.00   -0.00  
1 1 1 52 22 7  o 2.1442  0.9836 ?       ?         -0.10  -0.39  -0.01  0.00   
1 1 1 52 22 8  o 2.5175  1.2487 ?       ?         -0.32  0.05   0.00   -0.00  
1 1 1 52 22 9  o 2.1050  1.4980 ?       ?         -0.43  0.50   -0.00  -0.00  
1 1 1 52 22 10 o 4.0373  0.7508 ?       ?         -0.93  0.14   0.00   0.00   
1 1 1 52 22 11 f 4.7749  0.7126 ?       ?         0.04   0.36   0.00   0.00   
1 1 1 52 22 12 o 3.8341  1.1951 ?       ?         0.07   -0.67  0.00   0.00   
1 1 1 52 23 0  o 2.3022  1.2040 0.9386  -180.0000 0.22   0.00   0.00   0.00   
1 1 1 52 23 1  f 3.5828  0.7234 1.4336  168.900   -0.68  -0.03  0.01   -0.01  
1 1 1 52 23 2  o 5.9188  0.4828 5.6060  -74.7000  0.38   -0.14  0.00   -0.00  
1 1 1 52 23 3  o 3.8995  0.6914 3.3413  75.000    0.07   -0.23  -0.00  -0.00  
1 1 1 52 23 4  f 3.2837  0.9139 0.8553  -29.5000  -0.22  -0.55  -0.01  -0.00  
1 1 1 52 23 5  o 3.5657  1.2741 ?       ?         0.32   0.06   0.00   0.00   
1 1 1 52 23 6  o 2.9956  1.0292 ?       ?         0.04   0.03   0.00   0.00   
1 1 1 52 23 7  o 2.2062  1.3905 ?       ?         -1.07  0.31   0.02   -0.00  
1 1 1 52 23 8  o 6.3425  0.7004 ?       ?         -0.94  -0.72  -0.01  0.00   
1 1 1 52 23 9  o 3.0041  1.7234 ?       ?         0.31   -0.17  -0.00  -0.00  
1 1 1 52 23 10 o 4.1110  0.8425 ?       ?         0.32   0.38   0.00   0.00   
1 1 1 52 23 11 o 3.1464  1.3052 ?       ?         -0.30  -0.07  0.00   0.00   
1 1 1 52 24 0  o 2.8983  1.1759 1.8748  180.000   0.18   0.00   0.00   0.00   
1 1 1 52 24 1  o 3.7905  0.6839 4.0467  10.300    0.73   -0.64  -0.00  -0.03  
1 1 1 52 24 2  o 5.7772  0.5411 4.5138  -87.7000  -0.04  0.51   -0.00  -0.00  
1 1 1 52 24 3  o 1.7951  0.9932 ?       ?         0.67   0.01   0.03   0.02   
1 1 1 52 24 4  o 4.4049  0.8173 ?       ?         0.41   0.02   0.00   -0.00  
1 1 1 52 24 5  o 1.7864  1.3381 ?       ?         0.08   -0.12  -0.00  -0.00  
1 1 1 52 24 6  o 4.7396  1.0969 ?       ?         0.92   0.39   -0.00  0.01   
1 1 1 52 24 7  o 7.1646  0.9331 ?       ?         -1.36  -0.56  -0.01  0.01   
1 1 1 52 24 8  o 6.5329  2.9853 ?       ?         -1.02  -0.04  -0.00  -0.01  
1 1 1 52 24 9  f 1.7857  1.4788 ?       ?         -0.62  0.95   -0.00  -0.01  
1 1 1 52 24 10 o 5.1381  0.8988 ?       ?         0.24   0.32   0.00   0.00   
1 1 1 52 25 0  o 2.7019  1.2349 ?       ?         -0.46  0.00   0.00   0.00   
1 1 1 52 25 1  o 1.0462  1.0455 ?       ?         0.33   -0.22  0.00   -0.01  
1 1 1 52 25 2  o 6.0615  0.6234 ?       ?         -0.52  1.00   -0.01  -0.01  
1 1 1 52 25 3  o 4.5905  0.8531 ?       ?         0.16   -0.49  -0.00  -0.00  
1 1 1 52 25 4  o 4.2772  1.4740 ?       ?         0.33   -0.72  0.01   -0.01  
1 1 1 52 25 5  o 3.2686  1.1698 ?       ?         0.20   0.04   0.00   0.00   
1 1 1 52 25 6  o 5.2571  0.8562 ?       ?         0.42   -0.28  -0.00  -0.00  
1 1 1 52 25 7  o 1.4642  1.5513 ?       ?         -0.32  0.04   0.00   0.00   
1 1 1 52 25 8  o 5.3931  1.2398 ?       ?         2.44   -1.08  -0.02  0.02   
1 1 1 52 25 9  o 0.0000  4.0000 ?       ?         -0.25  -0.16  0.00   0.00   
1 1 1 52 26 0  o 3.7947  1.3018 ?       ?         0.18   0.00   0.00   0.00   
1 1 1 52 26 1  o 3.5798  0.9333 ?       ?         0.30   0.05   0.00   0.00   
1 1 1 52 26 2  f 3.9128  1.0387 ?       ?         -0.63  -0.06  0.00   -0.00  
1 1 1 52 26 3  o 0.0000  2.4653 ?       ?         -0.48  0.07   0.02   -0.01  
1 1 1 52 26 4  f 2.5336  1.0261 ?       ?         -0.02  1.01   -0.02  -0.00  
1 1 1 52 26 5  o 0.8697  1.2747 ?       ?         -0.64  -0.45  0.00   0.01   
1 1 1 52 26 6  o 2.6246  1.4755 ?       ?         1.07   0.44   -0.00  0.00   
1 1 1 52 26 7  o 4.4247  1.1523 ?       ?         -0.25  0.23   0.00   0.00   
1 1 1 52 26 8  o 3.5214  1.6628 ?       ?         -0.40  -0.35  0.00   0.00   
1 1 1 52 27 0  o 0.0000  3.3615 ?       ?         0.09   0.00   0.00   0.00   
1 1 1 52 27 1  o 4.0939  0.9390 ?       ?         0.51   -1.11  -0.01  -0.01  
1 1 1 52 27 2  o 3.4026  1.6119 ?       ?         -0.04  0.04   0.00   -0.00  
1 1 1 52 27 3  o 1.6956  1.2199 ?       ?         -0.43  0.24   0.00   -0.00  
1 1 1 52 27 4  o 3.3552  1.0761 ?       ?         -0.41  0.13   0.00   -0.00  
1 1 1 52 27 5  o 2.4012  1.5573 ?       ?         0.28   -0.16  0.00   -0.00  
1 1 1 52 27 6  o 1.5877  1.5925 ?       ?         0.03   -0.38  -0.00  -0.00  
1 1 1 52 27 7  o 4.5277  1.9052 ?       ?         0.79   -0.41  0.00   0.00   
1 1 1 52 28 0  o 3.9115  1.1530 ?       ?         -0.36  0.00   0.00   0.00   
1 1 1 52 28 1  o 5.0429  1.2064 ?       ?         -0.78  1.01   -0.00  0.00   
1 1 1 52 28 2  o 4.0626  1.2028 ?       ?         0.84   -0.15  -0.00  0.00   
1 1 1 52 28 3  f 5.6825  2.6233 ?       ?         -0.44  0.73   -0.00  0.00   
1 1 1 52 28 4  o 4.4818  1.2543 ?       ?         -0.48  0.24   -0.00  0.00   
1 1 1 52 28 5  o 4.4914  2.0514 ?       ?         0.20   -0.96  0.00   -0.00  
1 1 1 52 29 0  o 4.8683  1.1649 ?       ?         1.13   0.00   0.00   0.00   
1 1 1 52 29 1  o 2.1328  1.4660 ?       ?         1.04   0.71   0.00   0.00   
1 1 1 52 29 2  o 5.2378  1.0669 ?       ?         0.07   -0.39  0.00   0.00   
1 1 1 52 29 3  o 5.8188  2.5980 ?       ?         0.23   -0.44  0.00   -0.00  
1 1 1 52 29 4  o 3.0967  1.5705 ?       ?         -0.67  0.67   -0.00  0.00   
1 1 1 52 30 0  o 5.0892  1.1458 ?       ?         -0.80  0.00   0.00   0.00   
1 1 1 52 30 1  o 5.8737  1.3967 ?       ?         -0.38  0.31   0.00   0.00   
1 1 1 53 0  1  o 3.2711  0.5985 4.3348  45.000    0.19   0.19   0.00   0.00   
1 1 1 53 0  2  o 16.328  0.2116 15.893  -0.0000   1.93   0.00   0.00   0.00   
1 1 1 53 0  3  o 2.4083  0.7469 3.4927  -45.0000  0.04   -0.04  0.00   0.00   
1 1 1 53 0  4  o 3.0166  0.6431 1.8604  90.000    0.00   0.01   0.00   0.00   
1 1 1 53 0  5  o 0.0000  2.2136 0.0195  -135.0000 -0.01  -0.01  0.00   0.00   
1 1 1 53 0  6  o 2.8107  0.7282 1.0609  180.000   -0.13  0.00   0.00   0.00   
1 1 1 53 0  7  o 3.6742  0.6306 0.3292  135.000   -0.04  0.04   0.00   0.00   
1 1 1 53 0  8  o 6.9714  0.3996 6.8266  -90.0000  -0.00  -0.96  0.00   0.00   
1 1 1 53 0  9  o 2.7928  0.7309 1.5229  -135.0000 -0.14  -0.14  0.00   0.00   
1 1 1 53 0  10 o 3.0659  0.6473 0.8588  180.000   -0.06  0.00   0.00   0.00   
1 1 1 53 0  11 o 0.0000  2.4495 ?       ?         -0.03  0.03   0.00   0.00   
1 1 1 53 0  12 o 0.0000  2.4698 ?       ?         0.00   0.13   0.00   0.00   
1 1 1 53 0  13 o 4.0866  0.6655 ?       ?         0.22   0.22   0.00   0.00   
1 1 1 53 0  14 o 1.1402  1.0929 ?       ?         0.08   0.00   0.00   0.00   
1 1 1 53 0  15 f 2.4083  0.8697 ?       ?         0.04   -0.04  0.00   0.00   
1 1 1 53 0  16 o 2.5495  1.1349 ?       ?         0.00   0.39   0.00   0.00   
1 1 1 53 0  17 o 1.0000  1.3477 ?       ?         0.07   0.07   0.00   0.00   
1 1 1 53 1  0  o 3.2404  0.5915 2.8391  0.0000    0.49   0.00   0.00   0.00   
1 1 1 53 1  1  o 6.2685  0.2656 4.2060  -43.2000  0.69   -0.48  -0.09  -0.05  
1 1 1 53 1  2  f 3.7459  0.3947 3.2649  19.300    0.02   0.40   -0.02  -0.03  
1 1 1 53 1  3  o 9.1340  0.3097 9.3639  -13.3000  0.95   -1.04  0.11   0.03   
1 1 1 53 1  4  o 3.8098  0.5508 2.9889  75.900    1.08   0.64   -0.10  -0.01  
1 1 1 53 1  5  o 1.6880  0.6805 0.1232  122.600   0.03   0.05   0.00   0.00   
1 1 1 53 1  6  o 1.8071  0.8652 1.0756  154.900   0.18   0.30   0.03   0.02   
1 1 1 53 1  7  o 2.9025  0.5351 3.4447  133.400   0.08   0.14   -0.00  -0.00  
1 1 1 53 1  8  o 2.9002  0.7075 2.9322  -115.3000 -0.24  -0.64  0.04   0.03   
1 1 1 53 1  9  o 3.2551  0.4705 5.0399  38.600    0.02   0.16   -0.00  -0.00  
1 1 1 53 1  10 o 7.7083  0.2452 7.3834  -57.3000  0.56   -0.61  0.04   -0.03  
1 1 1 53 1  11 o 5.0659  0.3855 ?       ?         -0.28  0.97   -0.06  -0.01  
1 1 1 53 1  12 o 4.6892  0.3990 ?       ?         -0.38  -0.51  0.01   0.02   
1 1 1 53 1  13 o 2.8006  0.6002 ?       ?         0.10   0.27   -0.00  0.00   
1 1 1 53 1  14 o 2.1864  0.7921 ?       ?         -0.24  0.48   -0.02  -0.00  
1 1 1 53 1  15 o 2.0098  0.7586 ?       ?         0.18   -0.44  -0.00  -0.01  
1 1 1 53 1  16 o 6.9367  0.4531 ?       ?         0.03   -0.73  -0.00  -0.00  
1 1 1 53 1  17 o 4.8345  0.5896 ?       ?         0.56   1.29   -0.00  0.00   
1 1 1 53 2  0  o 0.0000  2.1448 0.8926  -0.0000   -0.13  0.00   0.00   0.00   
1 1 1 53 2  1  o 5.2917  0.3086 4.0532  113.800   -0.10  -1.45  -0.21  -0.35  
1 1 1 53 2  2  o 3.0583  0.4552 4.1585  49.900    0.23   0.14   -0.01  0.01   
1 1 1 53 2  3  o 3.6486  0.4332 4.8960  -112.9000 -0.16  -0.64  0.03   0.03   
1 1 1 53 2  4  o 4.8034  0.3470 3.9527  82.200    -0.12  0.21   -0.01  -0.01  
1 1 1 53 2  5  o 2.8806  0.5243 2.5598  -84.1000  -0.01  -0.30  -0.02  -0.01  
1 1 1 53 2  6  f 2.4141  0.5792 0.9085  -145.7000 0.17   -0.15  0.01   -0.01  
1 1 1 53 2  7  o 2.2140  0.6268 1.4148  -50.0000  0.12   0.27   -0.02  0.01   
1 1 1 53 2  8  o 7.7288  0.4619 8.5934  -15.0000  4.35   1.39   0.27   -0.71  
1 1 1 53 2  9  o 3.8312  0.6894 3.7770  149.100   0.36   1.56   0.01   -0.11  
1 1 1 53 2  10 o 2.5742  1.1732 2.2509  31.200    0.36   0.03   -0.00  -0.01  
1 1 1 53 2  11 o 8.8973  0.2497 ?       ?         2.50   0.28   0.27   -0.01  
1 1 1 53 2  12 o 0.7465  0.8412 ?       ?         0.20   0.01   0.01   0.01   
1 1 1 53 2  13 o 5.7712  0.7339 ?       ?         -1.64  -1.32  0.08   -0.03  
1 1 1 53 2  14 o 3.8493  0.5165 ?       ?         0.18   0.72   -0.01  0.00   
1 1 1 53 2  15 o 1.7150  0.7649 ?       ?         0.06   0.07   -0.00  0.00   
1 1 1 53 2  16 o 3.3453  1.0599 ?       ?         0.46   0.42   -0.00  0.00   
1 1 1 53 2  17 o 4.0084  0.8305 ?       ?         0.82   -0.77  -0.01  -0.00  
1 1 1 53 3  0  o 5.4129  0.4189 5.8007  180.000   -0.25  0.00   0.00   0.00   
1 1 1 53 3  1  o 3.4048  0.4070 2.4801  -145.0000 -0.09  -0.76  0.04   0.07   
1 1 1 53 3  2  o 6.5612  0.2593 5.4992  56.600    0.78   -0.46  -0.08  -0.08  
1 1 1 53 3  3  o 1.5684  0.6571 0.3688  -117.6000 -0.31  0.23   0.06   -0.06  
1 1 1 53 3  4  o 6.1049  0.2851 6.4780  -0.3000   0.52   1.21   -0.18  -0.12  
1 1 1 53 3  5  o 2.0848  0.9828 1.7339  -38.4000  -0.37  0.32   0.03   0.02   
1 1 1 53 3  6  o 0.5075  0.7640 0.9618  83.400    0.11   -0.15  -0.01  0.01   
1 1 1 53 3  7  o 4.4388  0.4913 4.4408  124.600   -0.46  -0.60  0.03   -0.00  
1 1 1 53 3  8  o 5.5526  0.5332 5.4616  106.000   -0.13  1.81   0.02   0.14   
1 1 1 53 3  9  o 8.7724  0.2283 8.2281  -42.8000  1.08   -0.42  0.05   -0.10  
1 1 1 53 3  10 o 5.4917  0.3181 5.1385  -160.6000 -0.50  0.03   0.02   -0.01  
1 1 1 53 3  11 o 5.7069  0.3587 ?       ?         -0.33  0.09   0.00   -0.00  
1 1 1 53 3  12 o 2.1409  0.7124 ?       ?         0.35   -0.06  0.01   0.01   
1 1 1 53 3  13 o 2.6217  0.5872 ?       ?         0.30   0.32   0.01   0.01   
1 1 1 53 3  14 o 1.7934  0.8797 ?       ?         0.19   0.11   0.00   0.00   
1 1 1 53 3  15 o 2.5447  0.6108 ?       ?         0.42   -1.16  -0.03  -0.06  
1 1 1 53 3  16 o 6.6925  1.2432 ?       ?         -4.22  -4.56  -0.28  -0.02  
1 1 1 53 4  0  o 3.6194  0.5257 3.3946  -180.0000 -0.13  0.00   0.00   0.00   
1 1 1 53 4  1  o 4.9125  0.3239 6.0097  172.700   -0.38  -0.15  0.03   0.03   
1 1 1 53 4  2  o 5.0700  0.3138 4.7775  -132.6000 -0.32  0.07   0.03   -0.01  
1 1 1 53 4  3  o 1.8747  0.6258 2.6261  -112.0000 -0.12  -0.31  -0.01  0.05   
1 1 1 53 4  4  o 5.0789  0.3312 3.9685  127.300   -1.07  0.38   0.05   0.11   
1 1 1 53 4  5  o 3.6695  0.4223 3.6263  73.100    0.19   0.33   -0.01  0.03   
1 1 1 53 4  6  o 4.9523  0.3734 5.5572  55.400    0.09   0.70   0.01   0.03   
1 1 1 53 4  7  o 3.4515  0.4735 2.7178  -96.0000  -0.15  -0.57  -0.05  -0.02  
1 1 1 53 4  8  o 3.9742  0.7752 5.5083  143.100   -0.82  1.27   -0.05  0.08   
1 1 1 53 4  9  o 5.0975  0.3457 4.5374  163.100   -0.10  0.16   0.00   -0.00  
1 1 1 53 4  10 o 3.3307  0.4768 2.2373  78.300    0.34   0.03   0.00   0.01   
1 1 1 53 4  11 o 3.9194  0.4586 ?       ?         -0.35  0.49   -0.02  -0.01  
1 1 1 53 4  12 o 3.1304  0.8552 ?       ?         0.05   -0.07  0.00   -0.00  
1 1 1 53 4  13 f 4.1614  0.4501 ?       ?         -0.05  0.78   -0.02  0.01   
1 1 1 53 4  14 o 4.4805  0.4648 ?       ?         -0.80  -0.04  0.01   0.01   
1 1 1 53 4  15 o 5.1025  0.7364 ?       ?         -0.35  0.84   0.01   -0.02  
1 1 1 53 4  16 o 1.1723  0.7281 ?       ?         -0.32  -0.59  -0.02  0.01   
1 1 1 53 5  0  o 5.6214  0.3900 3.7409  0.0000    -0.40  0.00   0.00   0.00   
1 1 1 53 5  1  o 6.7415  0.2435 6.7662  61.500    -0.39  2.35   -0.30  0.64   
1 1 1 53 5  2  o 0.2617  0.6190 0.4944  61.800    -0.02  -0.21  -0.02  0.03   
1 1 1 53 5  3  o 8.7166  0.2164 7.6415  152.400   -0.05  -0.25  -0.01  0.01   
1 1 1 53 5  4  f 3.0511  0.5898 1.3056  -36.3000  0.05   0.17   -0.00  -0.00  
1 1 1 53 5  5  o 8.9627  0.2257 8.5830  -143.9000 -1.31  -0.82  0.19   0.21   
1 1 1 53 5  6  o 4.4541  0.3904 4.1624  -112.7000 0.07   -0.08  0.00   -0.00  
1 1 1 53 5  7  o 4.0241  0.4439 2.0724  20.000    0.11   -0.24  -0.01  0.00   
1 1 1 53 5  8  o 2.9885  1.3523 1.9902  103.000   0.68   0.72   0.07   -0.04  
1 1 1 53 5  9  f 3.7731  0.5239 3.6052  -67.5000  -0.04  0.32   0.00   0.01   
1 1 1 53 5  10 o 6.2265  0.4371 6.9425  48.000    1.75   0.26   -0.06  0.12   
1 1 1 53 5  11 o 1.6845  0.7572 ?       ?         -0.03  -0.08  -0.00  -0.00  
1 1 1 53 5  12 o 2.3475  0.7181 ?       ?         -0.09  -0.33  -0.01  -0.00  
1 1 1 53 5  13 o 4.1540  0.4977 ?       ?         -0.04  -0.19  -0.00  0.00   
1 1 1 53 5  14 o 4.1666  0.7854 ?       ?         -1.20  -0.31  -0.01  0.03   
1 1 1 53 5  15 o 0.0000  1.6051 ?       ?         0.36   0.10   -0.01  0.02   
1 1 1 53 5  16 o 2.9449  0.5814 ?       ?         -0.00  0.10   -0.00  -0.00  
1 1 1 53 6  0  o 14.360  0.2967 14.505  -0.0000   1.34   0.00   0.00   0.00   
1 1 1 53 6  1  o 3.5628  0.4065 2.7808  -42.6000  -1.06  -0.37  0.07   -0.13  
1 1 1 53 6  2  o 5.6665  0.3280 5.6430  48.600    0.15   -0.41  0.01   -0.01  
1 1 1 53 6  3  o 2.4734  0.5426 1.7264  -148.3000 0.07   -0.22  -0.00  -0.02  
1 1 1 53 6  4  o 6.8652  0.2585 8.4493  125.800   -1.24  1.62   -0.50  -0.11  
1 1 1 53 6  5  o 2.0000  0.6176 2.0096  34.700    0.03   -0.11  -0.00  -0.00  
1 1 1 53 6  6  o 5.8230  0.3017 6.8269  -105.2000 0.69   -0.09  0.07   -0.03  
1 1 1 53 6  7  o 5.3874  0.3323 4.5701  163.100   -0.60  0.22   0.06   0.01   
1 1 1 53 6  8  o 1.0769  0.8333 1.4268  50.900    -0.05  0.39   -0.02  -0.05  
1 1 1 53 6  9  o 5.8395  0.2879 6.2213  52.500    1.81   1.08   0.43   0.09   
1 1 1 53 6  10 o 3.9259  0.4291 3.9947  176.300   -0.54  -0.33  0.03   -0.00  
1 1 1 53 6  11 o 4.3174  0.4428 ?       ?         -0.55  -0.08  0.01   -0.01  
1 1 1 53 6  12 o 3.6563  0.5351 ?       ?         0.55   -0.14  0.00   -0.01  
1 1 1 53 6  13 o 2.6125  0.6403 ?       ?         -0.24  0.09   0.00   -0.00  
1 1 1 53 6  14 o 4.9956  0.4226 ?       ?         -0.38  -0.27  -0.00  0.01   
1 1 1 53 6  15 o 2.6274  1.1102 ?       ?         -0.39  0.19   0.01   0.01   
1 1 1 53 6  16 o 1.8353  0.9756 ?       ?         -0.18  -0.21  -0.00  0.00   
1 1 1 53 7  0  o 2.7928  0.6865 4.4115  0.0000    0.25   0.00   0.00   0.00   
1 1 1 53 7  1  o 5.4129  0.2823 4.4519  3.8000    0.11   0.25   -0.01  -0.01  
1 1 1 53 7  2  o 5.7340  0.2812 5.0643  -62.9000  0.28   0.56   0.04   0.04   
1 1 1 53 7  3  o 5.5262  0.2906 4.2705  -0.1000   0.45   -0.71  -0.10  0.02   
1 1 1 53 7  4  o 1.1085  0.7713 0.8539  -159.4000 -0.63  -0.46  -0.13  -0.04  
1 1 1 53 7  5  o 3.6056  0.4596 2.8789  42.200    0.14   0.49   -0.01  0.04   
1 1 1 53 7  6  o 6.2207  0.2953 5.9823  -160.1000 -0.72  -0.71  0.10   0.06   
1 1 1 53 7  7  o 4.1893  0.4042 4.2130  -79.7000  -0.46  -1.23  -0.13  -0.09  
1 1 1 53 7  8  f 3.3647  0.5204 3.7124  -3.8000   0.34   -0.02  0.00   -0.01  
1 1 1 53 7  9  o 3.5320  0.8491 3.2320  77.800    0.88   0.61   -0.05  -0.02  
1 1 1 53 7  10 o 3.6731  0.4064 ?       ?         0.25   0.30   0.01   0.01   
1 1 1 53 7  11 o 5.1356  0.3883 ?       ?         0.40   -0.39  -0.00  -0.02  
1 1 1 53 7  12 o 2.9884  1.0073 ?       ?         -0.36  0.17   -0.01  -0.01  
1 1 1 53 7  13 o 2.6723  0.6246 ?       ?         0.03   -0.03  0.00   -0.00  
1 1 1 53 7  14 o 2.8960  0.5739 ?       ?         0.09   -0.44  -0.00  -0.01  
1 1 1 53 7  15 o 3.2335  0.6086 ?       ?         -0.90  0.83   0.00   -0.04  
1 1 1 53 7  16 o 4.0661  0.9311 ?       ?         1.41   0.81   -0.03  0.02   
1 1 1 53 8  0  o 4.4045  0.4786 4.8117  0.0000    0.28   0.00   0.00   0.00   
1 1 1 53 8  1  o 2.9278  0.4694 3.2144  -18.6000  0.16   0.49   -0.01  0.07   
1 1 1 53 8  2  o 6.7969  0.2417 6.5007  -43.1000  0.34   -0.41  -0.01  -0.06  
1 1 1 53 8  3  o 3.1484  0.4669 3.7078  -103.2000 0.29   0.24   0.02   -0.01  
1 1 1 53 8  4  o 3.9433  0.4649 3.3709  -7.8000   -0.42  -0.88  -0.03  -0.06  
1 1 1 53 8  5  o 5.2586  0.3158 5.0171  -91.9000  -0.36  -0.78  -0.10  0.10   
1 1 1 53 8  6  o 7.3809  0.5014 6.5308  -166.3000 -0.74  0.11   -0.01  -0.01  
1 1 1 53 8  7  o 6.1145  0.3079 5.3037  107.900   -0.15  0.46   -0.02  0.01   
1 1 1 53 8  8  o 4.4637  0.5330 3.8445  -141.3000 -0.22  -1.30  0.04   0.06   
1 1 1 53 8  9  o 2.2612  0.5810 2.2964  -69.0000  0.06   -0.45  -0.04  -0.02  
1 1 1 53 8  10 o 2.6213  0.5447 ?       ?         -0.05  0.33   0.00   -0.01  
1 1 1 53 8  11 o 3.2658  0.5534 ?       ?         -0.95  0.26   0.05   0.03   
1 1 1 53 8  12 o 5.0398  0.4036 ?       ?         -1.49  0.92   0.04   -0.10  
1 1 1 53 8  13 o 4.0725  0.4834 ?       ?         0.74   -0.37  0.02   -0.02  
1 1 1 53 8  14 o 3.7632  0.7133 ?       ?         0.70   0.01   0.00   0.01   
1 1 1 53 8  15 o 2.5802  0.7399 ?       ?         0.45   -0.63  0.00   -0.01  
1 1 1 53 8  16 o 3.0269  1.3339 ?       ?         -0.31  1.10   -0.03  0.03   
1 1 1 53 9  0  o 1.4491  0.8630 2.3454  -0.0000   0.21   0.00   0.00   0.00   
1 1 1 53 9  1  o 10.278  0.1819 10.337  -121.7000 0.89   -0.59  -0.06  -0.13  
1 1 1 53 9  2  o 0.0000  1.5489 ?       ?         -0.11  0.02   0.01   0.01   
1 1 1 53 9  3  o 6.4124  0.2699 5.6769  -89.1000  0.19   -1.69  -0.02  -0.31  
1 1 1 53 9  4  o 6.7247  0.2612 8.0935  172.600   0.18   -0.24  0.01   -0.00  
1 1 1 53 9  5  o 3.0620  0.9443 3.0556  43.900    0.13   1.15   0.07   0.06   
1 1 1 53 9  6  o 10.098  0.2067 9.3812  -87.8000  0.76   -2.51  -0.02  -0.52  
1 1 1 53 9  7  o 2.2492  0.7720 2.2342  31.500    0.09   -0.07  0.00   0.00   
1 1 1 53 9  8  o 8.2055  0.2551 7.6581  157.100   -1.42  0.18   0.11   0.07   
1 1 1 53 9  9  o 7.5118  0.2509 7.8890  160.300   -1.73  0.50   0.18   0.10   
1 1 1 53 9  10 f 4.5945  0.3738 ?       ?         -1.17  -0.30  0.10   -0.02  
1 1 1 53 9  11 o 3.6730  1.0771 ?       ?         0.97   -0.38  0.01   0.04   
1 1 1 53 9  12 o 7.7255  0.2845 ?       ?         -0.89  -0.14  0.02   0.00   
1 1 1 53 9  13 o 0.6892  0.8565 ?       ?         -0.39  0.10   0.02   0.00   
1 1 1 53 9  14 o 1.3686  0.9477 ?       ?         -0.28  -0.01  0.01   0.00   
1 1 1 53 9  15 o 0.0000  2.0745 ?       ?         0.20   0.08   -0.00  0.00   
1 1 1 53 9  16 o 1.5034  1.0903 ?       ?         0.15   0.84   -0.01  0.00   
1 1 1 53 10 0  o 5.0990  0.4241 4.2314  -0.0000   -0.32  0.00   0.00   0.00   
1 1 1 53 10 1  o 2.9103  0.4630 2.4375  50.600    -0.09  -0.56  -0.03  -0.05  
1 1 1 53 10 2  o 2.4652  0.5287 3.1971  -74.3000  -0.18  -0.09  0.00   0.01   
1 1 1 53 10 3  o 10.618  0.1809 8.9446  1.5000    -1.04  1.30   -0.20  -0.03  
1 1 1 53 10 4  f 1.6699  0.6767 0.6691  -126.5000 0.01   -0.29  -0.02  -0.02  
1 1 1 53 10 5  o 5.6717  0.3042 6.0890  63.300    -0.11  0.46   0.00   -0.02  
1 1 1 53 10 6  o 2.2767  1.0514 1.9275  -103.4000 0.06   -0.09  0.00   -0.00  
1 1 1 53 10 7  o 2.6476  0.5805 1.3745  -176.6000 0.05   0.37   -0.02  -0.01  
1 1 1 53 10 8  o 5.8280  0.3206 5.7661  -46.8000  0.55   -1.64  -0.07  -0.25  
1 1 1 53 10 9  o 5.5493  0.3370 5.5467  -168.0000 0.17   1.00   -0.02  -0.06  
1 1 1 53 10 10 f 1.9849  0.9322 ?       ?         0.10   -0.26  -0.01  0.01   
1 1 1 53 10 11 o 0.8307  0.8590 ?       ?         -0.52  -0.58  -0.09  -0.02  
1 1 1 53 10 12 o 5.6566  0.3921 ?       ?         -0.76  1.62   0.01   -0.09  
1 1 1 53 10 13 o 3.7889  0.5057 ?       ?         0.96   -0.50  0.01   -0.03  
1 1 1 53 10 14 o 0.0000  1.9191 ?       ?         -0.15  0.07   0.00   -0.00  
1 1 1 53 10 15 o 4.0383  0.6944 ?       ?         1.00   0.55   -0.00  0.01   
1 1 1 53 10 16 o 0.0000  2.9155 ?       ?         0.38   0.84   0.00   0.00   
1 1 1 53 11 0  o 6.1237  0.3907 4.3995  180.000   0.58   0.00   0.00   0.00   
1 1 1 53 11 1  o 4.0493  0.3818 4.1637  -105.2000 -1.02  -1.04  -0.18  -0.03  
1 1 1 53 11 2  o 2.7636  0.4857 1.4516  -115.4000 0.26   0.23   0.01   -0.01  
1 1 1 53 11 3  o 3.5064  0.6328 5.1303  132.700   -0.82  -0.16  -0.01  -0.04  
1 1 1 53 11 4  o 2.2534  1.0431 2.1442  -7.6000   0.12   -0.12  0.00   0.00   
1 1 1 53 11 5  o 9.0793  0.2173 9.4068  -168.2000 -0.66  -0.14  0.05   0.01   
1 1 1 53 11 6  o 6.6196  0.2646 6.0557  102.700   -0.21  0.32   0.01   -0.01  
1 1 1 53 11 7  o 3.0193  0.6463 4.4175  49.300    0.75   0.76   -0.10  -0.03  
1 1 1 53 11 8  o 3.2814  0.4827 3.2107  85.600    0.02   0.21   -0.00  -0.00  
1 1 1 53 11 9  o 4.6069  0.4201 5.3457  -121.9000 0.47   -0.84  -0.04  0.03   
1 1 1 53 11 10 o 2.0160  0.6228 ?       ?         -0.27  0.10   0.01   -0.01  
1 1 1 53 11 11 o 3.0172  0.5477 ?       ?         -0.15  -0.05  0.00   0.00   
1 1 1 53 11 12 o 4.4091  0.4589 ?       ?         -1.05  -0.17  0.04   0.01   
1 1 1 53 11 13 o 2.9862  1.3727 ?       ?         -0.03  0.25   0.00   -0.00  
1 1 1 53 11 14 o 4.1704  0.8375 ?       ?         0.66   -0.87  0.02   -0.01  
1 1 1 53 11 15 o 2.7865  1.2347 ?       ?         0.58   -1.27  0.00   -0.02  
1 1 1 53 11 16 o 2.8568  1.2734 ?       ?         -0.20  -1.28  -0.00  -0.01  
1 1 1 53 12 0  o 7.1903  0.3447 6.6997  0.0000    -0.47  0.00   0.00   0.00   
1 1 1 53 12 1  o 4.6480  0.3381 5.3438  123.700   0.42   -0.55  0.04   -0.08  
1 1 1 53 12 2  o 7.3392  0.2319 7.3483  64.900    0.60   -0.36  -0.00  -0.07  
1 1 1 53 12 3  o 2.3970  0.5034 2.4475  -40.6000  -0.28  -0.09  0.02   0.01   
1 1 1 53 12 4  o 6.8738  0.2442 6.2645  163.500   -0.78  0.13   0.03   0.05   
1 1 1 53 12 5  o 2.8487  1.2894 2.6185  20.300    0.23   0.08   -0.00  0.00   
1 1 1 53 12 6  o 3.7431  0.4276 4.2026  -29.9000  -0.08  -0.19  -0.00  -0.00  
1 1 1 53 12 7  o 2.7297  0.5567 2.3980  -66.1000  0.43   -0.00  0.01   -0.02  
1 1 1 53 12 8  o 4.2283  0.3946 4.5727  45.900    0.16   0.55   0.00   0.02   
1 1 1 53 12 9  o 5.3181  0.3233 ?       ?         -1.54  -0.50  0.15   0.10   
1 1 1 53 12 10 o 0.0000  1.5151 ?       ?         0.26   0.04   0.01   -0.01  
1 1 1 53 12 11 o 3.8326  0.4785 ?       ?         1.10   0.73   0.02   0.06   
1 1 1 53 12 12 f 3.1793  0.6017 ?       ?         0.95   -0.14  0.03   0.03   
1 1 1 53 12 13 o 2.3765  1.1345 ?       ?         -0.28  0.04   0.00   -0.00  
1 1 1 53 12 14 o 2.9405  0.8412 ?       ?         -0.39  -0.22  0.00   0.00   
1 1 1 53 12 15 o 2.6427  0.9700 ?       ?         -0.01  0.40   -0.00  -0.00  
1 1 1 53 12 16 o 3.3846  1.0010 ?       ?         -0.10  -0.63  0.00   -0.00  
1 1 1 53 13 0  o 3.2404  0.5806 2.7552  0.0000    -0.12  0.00   0.00   0.00   
1 1 1 53 13 1  o 4.0045  0.6503 4.5795  -26.7000  0.47   0.32   -0.01  -0.00  
1 1 1 53 13 2  o 4.2431  0.3606 4.5423  -122.6000 0.06   0.21   -0.01  -0.00  
1 1 1 53 13 3  o 5.0035  0.3021 4.5205  12.900    0.56   0.35   0.00   0.08   
1 1 1 53 13 4  o 0.0000  1.5390 ?       ?         -0.04  0.22   -0.03  -0.03  
1 1 1 53 13 5  o 4.4615  0.3705 4.7479  -140.5000 -1.72  -0.25  0.07   0.30   
1 1 1 53 13 6  o 3.5777  0.4409 4.0522  34.300    -0.36  0.19   0.01   0.01   
1 1 1 53 13 7  o 5.1728  0.3332 5.6679  -96.8000  -0.77  -0.34  -0.02  0.04   
1 1 1 53 13 8  o 4.2122  0.4205 4.0336  52.800    0.50   1.41   0.06   0.10   
1 1 1 53 13 9  o 1.4429  0.7111 ?       ?         0.22   -0.28  0.01   -0.02  
1 1 1 53 13 10 o 5.2180  0.3179 ?       ?         0.57   1.02   -0.07  0.06   
1 1 1 53 13 11 o 0.4293  0.7522 ?       ?         -0.25  -0.10  0.01   0.01   
1 1 1 53 13 12 o 0.0000  1.9234 ?       ?         0.16   -0.26  -0.00  -0.02  
1 1 1 53 13 13 o 3.1873  0.6427 ?       ?         -0.01  0.39   -0.00  0.00   
1 1 1 53 13 14 o 2.4446  0.9492 ?       ?         -0.75  -0.01  0.01   0.00   
1 1 1 53 13 15 o 2.9346  0.9433 ?       ?         -0.07  -0.26  -0.00  -0.00  
1 1 1 53 14 0  o 4.3932  0.5071 4.7317  -180.0000 -0.05  0.00   0.00   0.00   
1 1 1 53 14 1  o 6.2415  0.2763 6.2805  60.800    -0.27  0.11   0.00   -0.01  
1 1 1 53 14 2  o 2.6820  0.5118 1.9620  178.000   0.02   0.20   -0.00  -0.01  
1 1 1 53 14 3  o 4.0402  0.3827 4.5557  -93.1000  0.48   -0.77  -0.11  -0.02  
1 1 1 53 14 4  o 4.2649  0.7178 4.1111  159.500   -2.89  1.01   -0.31  -0.08  
1 1 1 53 14 5  o 3.3298  0.4675 2.7978  -65.7000  0.57   -0.44  0.05   -0.00  
1 1 1 53 14 6  o 1.3778  0.7772 1.7001  -38.4000  0.21   0.10   0.01   -0.01  
1 1 1 53 14 7  o 2.4030  0.5855 3.0759  -136.5000 -0.29  0.10   -0.00  -0.01  
1 1 1 53 14 8  o 2.7250  0.5454 1.6401  169.500   0.16   -0.05  0.00   -0.00  
1 1 1 53 14 9  o 3.0914  0.4649 ?       ?         0.52   0.13   0.01   0.02   
1 1 1 53 14 10 o 2.4763  0.5351 ?       ?         0.28   0.33   0.01   0.02   
1 1 1 53 14 11 o 1.4757  0.7940 ?       ?         0.39   -0.13  0.02   0.01   
1 1 1 53 14 12 o 4.8339  0.7474 ?       ?         0.61   -1.01  0.02   -0.01  
1 1 1 53 14 13 o 3.5718  0.7610 ?       ?         -0.44  -0.06  0.00   0.00   
1 1 1 53 14 14 o 0.0000  2.1174 ?       ?         0.07   -0.09  -0.00  -0.00  
1 1 1 53 14 15 o 5.3478  0.6574 ?       ?         -0.59  1.44   0.01   -0.01  
1 1 1 53 15 0  o 0.0000  2.2361 0.9257  0.0000    -0.09  0.00   0.00   0.00   
1 1 1 53 15 1  o 8.8427  0.2124 7.9684  -120.3000 -0.38  0.87   0.03   -0.05  
1 1 1 53 15 2  o 9.2087  0.2020 8.4992  71.100    1.32   0.94   -0.11  0.19   
1 1 1 53 15 3  o 5.3719  0.3016 5.3329  100.600   0.38   0.60   -0.05  0.01   
1 1 1 53 15 4  o 5.3517  0.3822 6.0999  -150.1000 -1.12  0.58   0.07   0.06   
1 1 1 53 15 5  o 1.4654  0.7133 1.4017  54.000    -0.19  0.04   0.01   0.00   
1 1 1 53 15 6  o 3.6226  0.4385 4.3187  112.100   -0.49  0.08   0.02   -0.02  
1 1 1 53 15 7  o 2.9669  0.7842 2.2773  133.700   -0.59  -0.79  -0.05  -0.04  
1 1 1 53 15 8  o 1.7833  0.6588 ?       ?         0.10   -0.04  0.00   -0.00  
1 1 1 53 15 9  o 2.3447  0.5602 ?       ?         0.13   0.09   0.00   0.00   
1 1 1 53 15 10 o 2.5107  0.5708 ?       ?         0.29   -0.60  0.00   -0.03  
1 1 1 53 15 11 o 2.5863  0.6715 ?       ?         0.15   -0.09  -0.00  -0.00  
1 1 1 53 15 12 o 3.4555  0.6173 ?       ?         1.54   0.25   0.04   0.03   
1 1 1 53 15 13 o 3.7400  0.7546 ?       ?         0.41   -0.47  0.00   -0.01  
1 1 1 53 15 14 o 3.0332  0.8430 ?       ?         0.35   0.46   -0.00  0.00   
1 1 1 53 15 15 o 3.6745  1.2114 ?       ?         0.75   -0.06  -0.00  0.00   
1 1 1 53 16 0  o 5.3385  0.4399 6.6732  -0.0000   0.75   0.00   0.00   0.00   
1 1 1 53 16 1  o 3.3039  0.4485 3.8311  146.800   -0.52  0.34   -0.03  -0.04  
1 1 1 53 16 2  o 4.5963  0.3287 4.7148  1.4000    0.83   0.12   0.00   0.07   
1 1 1 53 16 3  o 4.1101  0.3805 3.7540  53.500    0.46   -0.64  -0.05  -0.06  
1 1 1 53 16 4  o 4.2220  0.3631 4.0923  -154.1000 -0.57  0.40   -0.03  -0.05  
1 1 1 53 16 5  o 3.5538  0.4334 3.7894  135.400   -0.09  0.04   0.00   -0.00  
1 1 1 53 16 6  o 5.3233  0.3189 5.0279  -21.4000  -0.15  -0.27  0.00   0.01   
1 1 1 53 16 7  o 0.9623  0.7585 0.6494  151.100   0.06   -0.07  -0.00  -0.00  
1 1 1 53 16 8  o 1.2552  0.8297 ?       ?         -0.02  -0.18  -0.00  0.00   
1 1 1 53 16 9  o 5.0695  0.3553 ?       ?         0.52   -1.38  -0.10  -0.08  
1 1 1 53 16 10 o 1.3869  0.8087 ?       ?         -0.21  0.12   0.00   -0.00  
1 1 1 53 16 11 o 0.8503  0.9033 ?       ?         -0.53  -0.23  0.03   -0.00  
1 1 1 53 16 12 o 4.2199  0.6003 ?       ?         0.02   -0.91  -0.00  -0.01  
1 1 1 53 16 13 f 1.3862  1.1675 ?       ?         0.48   -0.17  0.00   -0.00  
1 1 1 53 16 14 o 2.8827  1.1832 ?       ?         0.34   0.22   -0.00  0.00   
1 1 1 53 16 15 o 3.6132  1.3633 ?       ?         0.12   -0.34  0.00   0.00   
1 1 1 53 17 0  o 0.0000  2.1448 0.7097  -180.0000 0.05   0.00   0.00   0.00   
1 1 1 53 17 1  o 3.0898  0.4600 2.8332  54.800    0.22   0.03   0.00   0.01   
1 1 1 53 17 2  o 8.4183  0.6658 9.3388  160.900   -3.86  1.04   -0.05  0.25   
1 1 1 53 17 3  o 3.3930  0.4216 3.6816  149.300   0.76   -0.58  -0.08  -0.05  
1 1 1 53 17 4  o 5.3936  0.6235 6.3612  72.800    -0.08  0.72   0.00   0.01   
1 1 1 53 17 5  o 1.9837  0.6021 2.3269  -23.1000  0.45   0.44   0.03   0.07   
1 1 1 53 17 6  o 3.7315  0.4191 3.7232  100.600   0.32   0.21   0.01   0.01   
1 1 1 53 17 7  o 3.2933  0.4547 ?       ?         0.41   -0.45  -0.01  -0.02  
1 1 1 53 17 8  o 7.4628  0.3214 ?       ?         -0.04  -3.16  -0.14  0.30   
1 1 1 53 17 9  o 1.6121  0.8398 ?       ?         -0.09  0.15   0.00   -0.00  
1 1 1 53 17 10 o 4.5644  0.8014 ?       ?         0.34   0.15   -0.00  0.00   
1 1 1 53 17 11 o 0.9518  0.9758 ?       ?         -0.08  0.21   -0.00  -0.00  
1 1 1 53 17 12 o 2.1152  0.9703 ?       ?         -0.15  0.17   -0.00  -0.00  
1 1 1 53 17 13 o 2.9651  1.0141 ?       ?         -0.37  -0.58  0.00   0.01   
1 1 1 53 17 14 o 2.9833  1.2099 ?       ?         -0.35  -0.23  0.00   0.00   
1 1 1 53 17 15 o 2.6077  1.4356 ?       ?         -0.09  0.30   0.00   0.00   
1 1 1 53 18 0  o 1.9494  0.7644 2.7316  -180.0000 -0.09  0.00   0.00   0.00   
1 1 1 53 18 1  o 2.9796  0.9228 1.5725  41.100    -0.66  -0.23  -0.03  0.01   
1 1 1 53 18 2  o 3.9604  0.3776 3.1952  -82.9000  -0.05  0.51   -0.03  0.01   
1 1 1 53 18 3  o 2.4869  0.8740 1.3223  61.000    0.49   0.85   -0.04  -0.07  
1 1 1 53 18 4  o 5.1774  0.3083 5.0118  -3.0000   0.67   -1.23  -0.17  -0.09  
1 1 1 53 18 5  o 4.2999  0.3637 5.0697  -129.1000 -0.64  -0.80  0.01   0.11   
1 1 1 53 18 6  o 5.0041  0.4433 4.3935  60.100    0.37   1.53   0.06   0.10   
1 1 1 53 18 7  o 3.4351  0.4670 ?       ?         -0.15  -0.11  0.00   0.00   
1 1 1 53 18 8  o 4.1139  0.4383 ?       ?         -0.32  -0.44  -0.00  0.01   
1 1 1 53 18 9  o 2.0425  0.9584 ?       ?         0.24   0.29   0.00   0.01   
1 1 1 53 18 10 o 2.9446  0.5622 ?       ?         -0.52  -0.17  0.01   0.00   
1 1 1 53 18 11 o 3.2765  0.7588 ?       ?         -0.76  -0.88  -0.00  0.02   
1 1 1 53 18 12 o 2.4000  1.0067 ?       ?         -0.96  0.00   0.01   0.00   
1 1 1 53 18 13 o 2.6039  1.0299 ?       ?         0.20   0.15   -0.00  0.00   
1 1 1 53 18 14 o 0.0000  3.8987 ?       ?         -0.51  -0.02  0.00   0.00   
1 1 1 53 19 0  o 0.0000  2.0494 1.4817  -0.0000   0.11   0.00   0.00   0.00   
1 1 1 53 19 1  o 4.1203  0.3501 4.7992  152.100   0.77   -1.03  -0.13  -0.01  
1 1 1 53 19 2  o 3.9401  0.3695 3.4062  -47.2000  0.23   -0.84  -0.06  0.02   
1 1 1 53 19 3  o 2.4337  0.4920 2.3237  -124.0000 -0.28  -0.28  -0.01  0.02   
1 1 1 53 19 4  o 1.0826  0.7800 0.7615  -69.0000  0.39   -0.26  -0.04  -0.03  
1 1 1 53 19 5  o 4.0241  0.3695 3.4730  148.600   0.15   0.87   -0.08  0.04   
1 1 1 53 19 6  o 2.5350  0.5722 ?       ?         -0.10  -0.08  -0.00  0.00   
1 1 1 53 19 7  o 2.9695  0.5652 ?       ?         0.54   0.95   -0.02  0.07   
1 1 1 53 19 8  o 6.5957  0.3607 ?       ?         0.04   0.47   -0.01  0.00   
1 1 1 53 19 9  o 3.7509  0.9361 ?       ?         -0.21  0.15   -0.00  -0.00  
1 1 1 53 19 10 o 2.6561  0.7747 ?       ?         -0.03  0.40   -0.01  0.00   
1 1 1 53 19 11 o 0.0000  2.8284 ?       ?         0.40   0.38   0.00   0.00   
1 1 1 53 19 12 o 3.0496  0.9406 ?       ?         -1.69  0.31   0.00   0.00   
1 1 1 53 19 13 o 0.0000  3.2711 ?       ?         -0.30  0.82   0.00   0.00   
1 1 1 53 19 14 o 1.4142  1.6549 ?       ?         0.23   0.15   0.00   0.00   
1 1 1 53 20 0  o 3.5355  0.7163 4.7286  -0.0000   -0.04  0.00   0.00   0.00   
1 1 1 53 20 1  o 3.9960  0.3734 3.9432  89.800    0.58   -0.18  -0.00  -0.02  
1 1 1 53 20 2  o 1.8108  0.8246 1.3312  -70.8000  -0.00  -0.22  -0.01  0.00   
1 1 1 53 20 3  o 9.4793  0.1857 10.810  -155.7000 -3.10  -0.65  0.62   -0.09  
1 1 1 53 20 4  o 2.4856  0.5296 0.8679  -79.4000  -0.32  -1.02  -0.14  0.03   
1 1 1 53 20 5  o 4.2769  0.4041 ?       ?         -0.20  0.05   0.00   0.00   
1 1 1 53 20 6  o 3.8846  0.6865 ?       ?         0.31   0.11   0.00   0.00   
1 1 1 53 20 7  o 4.7925  0.7140 ?       ?         -0.20  -0.28  0.00   0.00   
1 1 1 53 20 8  o 2.3765  1.0344 ?       ?         0.26   -0.24  0.00   -0.00  
1 1 1 53 20 9  o 6.1288  0.6884 ?       ?         -1.31  -0.13  0.00   0.01   
1 1 1 53 20 10 o 4.8593  0.8332 ?       ?         0.02   -0.24  0.00   -0.00  
1 1 1 53 20 11 o 3.2863  0.8377 ?       ?         0.18   0.43   0.00   0.00   
1 1 1 53 20 12 o 4.0988  0.7257 ?       ?         0.67   1.16   0.00   0.00   
1 1 1 53 20 13 o 5.0000  1.1131 ?       ?         0.94   0.07   0.00   0.00   
1 1 1 53 21 0  o 5.9414  0.6353 6.1228  0.0000    0.49   0.00   0.00   0.00   
1 1 1 53 21 1  o 5.5661  0.4860 5.1238  108.000   0.38   0.36   -0.00  0.01   
1 1 1 53 21 2  o 3.8898  0.7089 4.1172  67.200    0.29   0.17   0.00   0.00   
1 1 1 53 21 3  o 4.6515  0.4572 3.9446  -147.1000 -0.02  0.32   -0.00  -0.00  
1 1 1 53 21 4  o 2.1167  0.7920 ?       ?         0.18   0.30   -0.00  0.00   
1 1 1 53 21 5  o 3.9108  0.7709 ?       ?         -0.38  -1.46  -0.01  0.04   
1 1 1 53 21 6  o 2.1246  0.9948 ?       ?         0.15   -0.28  -0.00  -0.00  
1 1 1 53 21 7  o 2.1044  1.2379 ?       ?         -0.38  -0.07  0.00   -0.00  
1 1 1 53 21 8  o 4.9786  0.8613 ?       ?         -0.03  0.60   -0.00  -0.00  
1 1 1 53 21 9  o 0.0000  2.7735 ?       ?         -0.11  0.02   0.00   -0.00  
1 1 1 53 21 10 o 3.1233  1.3615 ?       ?         0.48   0.37   -0.00  0.01   
1 1 1 53 21 11 f 1.7321  1.0285 ?       ?         0.28   -0.37  0.00   0.00   
1 1 1 53 22 0  o 0.0000  3.1781 1.0278  0.0000    -0.15  0.00   0.00   0.00   
1 1 1 53 22 1  o 9.8773  0.3910 10.019  -147.3000 0.44   -2.04  -0.03  -0.06  
1 1 1 53 22 2  o 3.9348  0.7173 3.4097  156.600   -0.31  0.05   0.00   0.00   
1 1 1 53 22 3  o 3.8228  0.7400 ?       ?         -0.49  -0.67  0.00   0.01   
1 1 1 53 22 4  o 2.2218  0.9413 ?       ?         -0.13  0.80   -0.02  -0.01  
1 1 1 53 22 5  o 5.8299  0.8053 ?       ?         0.17   -0.59  0.00   -0.00  
1 1 1 53 22 6  o 3.4073  0.9977 ?       ?         0.02   0.12   -0.00  0.00   
1 1 1 53 22 7  o 1.3905  1.3282 ?       ?         -0.05  -0.06  -0.00  0.00   
1 1 1 53 22 8  o 3.8823  1.4626 ?       ?         0.52   -0.56  0.00   -0.00  
1 1 1 53 22 9  o 0.0000  3.3572 ?       ?         -0.27  0.27   0.00   -0.00  
1 1 1 53 22 10 o 3.5050  1.4259 ?       ?         0.05   0.03   -0.00  -0.00  
1 1 1 53 23 0  o 5.6391  0.7321 ?       ?         -0.11  0.00   0.00   0.00   
1 1 1 53 23 1  o 5.8735  0.5653 ?       ?         -0.77  -0.49  0.01   0.00   
1 1 1 53 23 2  o 7.3780  0.4990 ?       ?         1.54   2.32   -0.07  0.03   
1 1 1 53 23 3  o 4.1270  0.7027 ?       ?         0.12   0.33   -0.00  0.00   
1 1 1 53 23 4  o 4.7750  0.6049 ?       ?         -0.78  0.87   0.02   -0.01  
1 1 1 53 23 5  o 3.7628  1.0037 ?       ?         -0.31  -0.39  -0.00  0.00   
1 1 1 53 23 6  o 6.8300  0.6755 ?       ?         -0.65  0.09   0.00   0.00   
1 1 1 53 23 7  o 6.3136  0.7391 ?       ?         -1.09  -0.02  0.00   -0.00  
1 1 1 53 23 8  o 7.2224  0.8990 ?       ?         0.56   1.14   0.01   -0.00  
1 1 1 53 23 9  o 5.9478  2.6844 ?       ?         0.27   -0.46  -0.00  0.00   
1 1 1 53 24 0  f 0.5477  1.1856 ?       ?         -0.09  0.00   0.00   0.00   
1 1 1 53 24 1  o 2.7515  1.3036 ?       ?         0.35   0.22   0.01   -0.00  
1 1 1 53 24 2  o 4.8012  1.8265 ?       ?         -0.09  -0.45  -0.00  -0.00  
1 1 1 53 24 3  f 3.9541  0.9038 ?       ?         0.66   -0.81  -0.01  -0.01  
1 1 1 53 24 4  o 3.2863  1.5986 ?       ?         0.46   1.46   -0.04  -0.01  
1 1 1 53 24 5  o 4.8850  0.8894 ?       ?         0.78   0.69   -0.00  0.00   
1 1 1 53 24 6  o 6.2838  1.6781 ?       ?         -2.13  -0.01  -0.02  0.03   
1 1 1 53 24 7  o 2.8810  1.5562 ?       ?         0.74   0.16   -0.00  0.00   
1 1 1 53 24 8  o 2.7668  1.3814 ?       ?         -0.36  -0.14  -0.00  0.00   
1 1 1 53 24 9  o 0.0000  4.5387 ?       ?         -0.00  0.10   0.00   0.00   
1 1 1 53 25 0  o 2.3238  1.5718 ?       ?         0.09   0.00   0.00   0.00   
1 1 1 53 25 1  o 3.8941  1.7631 ?       ?         0.22   0.18   -0.00  0.00   
1 1 1 53 25 2  o 4.5845  0.8652 ?       ?         -0.61  0.10   0.00   0.00   
1 1 1 53 25 3  o 3.6265  1.7587 ?       ?         0.62   -0.30  0.01   0.00   
1 1 1 53 25 4  o 2.5885  1.2092 ?       ?         -0.73  -0.16  0.01   -0.00  
1 1 1 53 25 5  o 2.4685  1.3092 ?       ?         0.02   0.63   -0.00  0.00   
1 1 1 53 25 6  o 2.0258  1.6566 ?       ?         0.51   -0.53  -0.00  -0.00  
1 1 1 53 25 7  o 0.7433  1.4574 ?       ?         -0.03  -0.76  0.00   -0.00  
1 1 1 53 25 8  o 8.6371  1.1727 ?       ?         1.48   -1.93  0.00   0.00   
1 1 1 53 26 0  o 2.0976  1.5763 ?       ?         0.22   0.00   0.00   0.00   
1 1 1 53 26 1  o 4.3608  1.2716 ?       ?         -1.22  0.76   0.02   0.01   
1 1 1 53 26 2  o 0.0000  2.6132 ?       ?         0.07   0.65   -0.01  0.00   
1 1 1 53 26 3  f 2.6416  1.0003 ?       ?         0.14   0.18   -0.00  0.00   
1 1 1 53 26 4  o 2.7350  1.5917 ?       ?         0.15   0.18   -0.00  0.00   
1 1 1 53 26 5  o 5.7669  2.5699 ?       ?         0.42   -0.63  0.00   -0.00  
1 1 1 53 26 6  o 3.0966  1.2193 ?       ?         0.28   0.06   -0.00  0.00   
1 1 1 53 26 7  o 6.4885  1.5437 ?       ?         -0.26  0.92   0.00   0.00   
1 1 1 53 27 0  o 1.3038  1.8843 ?       ?         0.21   0.00   0.00   0.00   
1 1 1 53 27 1  o 4.8031  2.2081 ?       ?         -0.00  -0.38  0.00   0.00   
1 1 1 53 27 2  o 4.3314  1.0354 ?       ?         -0.36  -0.94  0.00   -0.00  
1 1 1 53 27 3  o 3.4037  1.6078 ?       ?         -0.31  -0.98  -0.00  -0.00  
1 1 1 53 27 4  o 7.0547  1.3354 ?       ?         -0.08  -1.76  0.01   -0.01  
1 1 1 53 27 5  o 1.9798  1.6049 ?       ?         -0.33  0.68   0.00   -0.00  
1 1 1 53 28 0  o 0.0000  4.4272 ?       ?         0.52   0.00   0.00   0.00   
1 1 1 53 28 1  o 3.2021  1.3868 ?       ?         -0.90  0.63   0.00   0.00   
1 1 1 53 28 2  o 4.1061  1.3500 ?       ?         0.08   -0.15  0.00   -0.00  
1 1 1 53 28 3  o 3.4518  1.7444 ?       ?         -0.99  -0.43  0.00   -0.00  
1 1 1 53 28 4  f 7.6223  1.3001 ?       ?         -0.75  -3.39  0.00   0.00   
1 1 1 54 0  0  o 10.941  0.3540 8.0769  -0.0000   -0.09  0.00   0.00   0.00   
1 1 1 54 0  1  o 5.5857  0.4077 5.4003  -45.0000  -0.32  0.32   0.00   0.00   
1 1 1 54 0  2  o 3.8730  0.5392 5.0730  90.000    0.00   0.48   0.00   0.00   
1 1 1 54 0  3  o 2.0000  0.8518 0.2162  -135.0000 -0.04  -0.04  0.00   0.00   
1 1 1 54 0  4  o 4.3128  0.5328 3.3555  0.0000    -0.11  0.00   0.00   0.00   
1 1 1 54 0  5  f 9.2682  0.2978 8.2168  135.000   -0.03  0.03   0.00   0.00   
1 1 1 54 0  6  o 2.7019  0.7340 0.5808  90.000    0.00   0.06   0.00   0.00   
1 1 1 54 0  7  o 0.0000  2.3022 0.4228  -135.0000 -0.12  -0.12  0.00   0.00   
1 1 1 54 0  8  o 0.0000  2.3664 2.7397  0.0000    -0.01  0.00   0.00   0.00   
1 1 1 54 0  9  o 4.3589  0.5284 4.2266  -45.0000  0.23   -0.23  0.00   0.00   
1 1 1 54 0  10 o 2.0000  0.8166 ?       ?         -0.00  -0.08  0.00   0.00   
1 1 1 54 0  11 o 7.2111  0.4372 ?       ?         0.21   0.21   0.00   0.00   
1 1 1 54 0  12 o 0.0000  2.4698 ?       ?         0.06   0.00   0.00   0.00   
1 1 1 54 0  13 o 1.3784  1.0600 ?       ?         0.02   -0.02  0.00   0.00   
1 1 1 54 0  14 o 1.9235  0.9105 ?       ?         -0.00  -0.08  0.00   0.00   
1 1 1 54 0  15 o 0.0000  2.2361 ?       ?         0.04   0.04   0.00   0.00   
1 1 1 54 0  16 o 4.7223  0.8418 ?       ?         -0.06  0.00   0.00   0.00   
1 1 1 54 1  0  o 3.7283  0.5648 3.3444  0.0000    0.22   0.00   0.00   0.00   
1 1 1 54 1  1  o 7.2755  0.2427 7.4762  -22.5000  -0.38  1.34   0.01   -0.22  
1 1 1 54 1  2  o 2.8563  0.4972 1.4769  -32.0000  -0.06  0.36   -0.03  -0.02  
1 1 1 54 1  3  o 6.8977  0.2602 6.4719  44.300    0.14   1.35   0.03   0.15   
1 1 1 54 1  4  o 3.0932  0.4940 3.6322  -30.5000  0.62   0.59   -0.08  0.00   
1 1 1 54 1  5  o 1.9595  0.9303 2.4759  -39.7000  0.57   -0.09  -0.02  -0.07  
1 1 1 54 1  6  o 4.9419  0.7751 4.9661  154.500   -1.24  0.24   -0.04  -0.02  
1 1 1 54 1  7  o 1.6543  0.8128 1.6034  -71.9000  0.17   -0.46  0.03   -0.04  
1 1 1 54 1  8  f 4.6390  0.4600 4.0294  -32.9000  0.43   -0.48  -0.02  0.00   
1 1 1 54 1  9  o 4.2498  0.3877 5.4008  -177.9000 0.51   0.39   0.03   0.03   
1 1 1 54 1  10 o 3.6389  0.4410 ?       ?         0.44   -0.20  -0.00  -0.01  
1 1 1 54 1  11 o 4.0121  0.4731 ?       ?         -0.61  -0.23  0.01   0.02   
1 1 1 54 1  12 o 2.6019  0.5918 ?       ?         -0.34  -0.04  0.01   -0.01  
1 1 1 54 1  13 o 1.9766  0.7352 ?       ?         -0.05  0.81   -0.03  -0.03  
1 1 1 54 1  14 o 1.9606  0.6428 ?       ?         0.11   -0.45  -0.02  0.00   
1 1 1 54 1  15 o 0.4991  0.7537 ?       ?         -0.21  0.02   0.00   0.00   
1 1 1 54 1  16 o 2.7160  1.2579 ?       ?         0.87   -0.98  0.01   -0.02  
1 1 1 54 2  0  o 7.3621  0.3373 7.9658  -180.0000 -0.58  0.00   0.00   0.00   
1 1 1 54 2  1  o 1.6733  0.6380 2.0708  24.200    0.13   0.09   0.00   0.01   
1 1 1 54 2  2  o 3.1785  0.4611 1.9444  -86.7000  -0.24  0.89   0.01   -0.14  
1 1 1 54 2  3  o 4.1056  0.3863 4.8960  -123.0000 -0.41  -0.51  0.05   0.02   
1 1 1 54 2  4  o 2.9948  1.3528 2.1645  135.300   0.18   -0.15  0.00   0.00   
1 1 1 54 2  5  o 7.0129  0.2787 5.1546  73.500    0.37   0.89   -0.03  0.10   
1 1 1 54 2  6  o 3.6697  0.4670 3.7164  -117.2000 0.13   -0.10  -0.00  -0.00  
1 1 1 54 2  7  o 4.8572  0.3778 5.3581  -89.2000  0.47   -1.12  -0.06  -0.16  
1 1 1 54 2  8  o 5.1540  0.6449 4.2324  -16.6000  0.04   -1.66  0.04   -0.08  
1 1 1 54 2  9  o 3.7555  0.4270 3.2524  88.400    0.26   -0.00  0.01   0.00   
1 1 1 54 2  10 o 4.6793  0.8265 ?       ?         1.60   0.53   0.01   -0.07  
1 1 1 54 2  11 o 2.3326  0.7163 ?       ?         -0.47  -0.19  -0.01  0.02   
1 1 1 54 2  12 o 1.7430  0.7464 ?       ?         0.24   0.12   0.00   0.01   
1 1 1 54 2  13 o 1.3523  0.8497 ?       ?         -0.45  -0.64  -0.03  0.04   
1 1 1 54 2  14 o 3.1145  0.6074 ?       ?         0.79   0.25   0.01   0.01   
1 1 1 54 2  15 o 4.5683  2.1366 ?       ?         0.52   3.25   0.11   -0.14  
1 1 1 54 2  16 o 3.4747  1.6259 ?       ?         -0.75  0.30   -0.00  -0.00  
1 1 1 54 3  0  o 4.5056  0.5059 2.6260  180.000   0.21   0.00   0.00   0.00   
1 1 1 54 3  1  o 4.2874  0.3567 5.5579  136.300   -1.12  -0.27  0.05   -0.12  
1 1 1 54 3  2  o 6.8442  0.2933 5.8832  27.700    -1.36  1.66   -0.32  0.09   
1 1 1 54 3  3  f 4.8784  0.3461 4.9748  -109.1000 0.21   -0.23  -0.01  -0.01  
1 1 1 54 3  4  o 6.9222  0.2564 6.5081  -75.4000  -0.00  -1.07  -0.15  -0.04  
1 1 1 54 3  5  o 7.5304  0.3398 7.0096  -35.9000  0.75   -1.38  0.12   -0.06  
1 1 1 54 3  6  o 6.4091  0.2928 6.6332  40.700    0.81   1.16   -0.16  0.02   
1 1 1 54 3  7  o 5.7518  0.3580 5.5232  28.200    1.73   0.50   -0.10  0.17   
1 1 1 54 3  8  o 4.8847  0.3849 5.9340  -92.8000  -0.79  -0.50  0.05   -0.01  
1 1 1 54 3  9  f 3.2957  0.4631 4.0938  43.400    0.27   -0.67  -0.06  -0.01  
1 1 1 54 3  10 o 1.8831  0.8944 ?       ?         0.28   -0.11  0.01   0.01   
1 1 1 54 3  11 o 2.6257  0.7891 ?       ?         -0.86  -0.15  -0.01  0.05   
1 1 1 54 3  12 o 1.4610  0.8305 ?       ?         -0.17  0.15   -0.00  -0.01  
1 1 1 54 3  13 o 1.9846  0.6547 ?       ?         -0.28  -0.18  0.00   0.01   
1 1 1 54 3  14 o 1.5745  0.9019 ?       ?         0.05   -0.76  -0.03  0.01   
1 1 1 54 3  15 o 1.6776  0.7396 ?       ?         -0.49  -0.98  -0.04  0.00   
1 1 1 54 3  16 o 3.0933  0.6463 ?       ?         0.60   1.03   -0.00  0.01   
1 1 1 54 4  0  o 10.812  0.2530 9.3854  -0.0000   1.71   0.00   0.00   0.00   
1 1 1 54 4  1  o 6.1686  0.2746 5.6347  -160.5000 1.19   -1.15  0.31   -0.11  
1 1 1 54 4  2  o 2.2813  0.5644 4.1102  -90.4000  -0.35  -0.72  -0.11  0.16   
1 1 1 54 4  3  f 2.3514  1.0829 0.8575  -30.9000  -0.01  -0.25  0.01   0.01   
1 1 1 54 4  4  o 2.9899  0.5055 2.0688  62.700    -0.08  -0.06  0.00   0.00   
1 1 1 54 4  5  o 6.1843  0.2969 5.0557  -54.9000  -0.32  -0.78  -0.08  0.00   
1 1 1 54 4  6  o 5.6954  0.4490 6.4432  -166.0000 -0.03  0.57   0.00   -0.02  
1 1 1 54 4  7  o 3.5291  0.5880 1.3523  5.5000    0.98   1.43   0.17   0.05   
1 1 1 54 4  8  o 4.2231  0.4354 4.7935  149.300   -0.72  0.41   0.04   -0.03  
1 1 1 54 4  9  o 3.0989  1.0829 3.1661  -99.7000  0.15   0.37   -0.00  -0.01  
1 1 1 54 4  10 o 6.9660  0.6348 ?       ?         2.22   -0.53  0.01   0.10   
1 1 1 54 4  11 o 2.1348  0.7027 ?       ?         -0.09  -0.22  -0.00  -0.00  
1 1 1 54 4  12 o 3.8224  0.4768 ?       ?         -0.02  0.48   -0.01  0.01   
1 1 1 54 4  13 f 0.0000  1.7363 ?       ?         -0.51  -0.09  0.03   0.01   
1 1 1 54 4  14 o 0.6634  0.8877 ?       ?         -0.03  0.36   -0.01  0.00   
1 1 1 54 4  15 o 2.6126  0.5338 ?       ?         0.44   0.21   0.00   0.00   
1 1 1 54 4  16 o 2.3079  1.2138 ?       ?         0.63   -0.08  0.01   0.01   
1 1 1 54 5  0  o 0.0000  2.2136 0.9620  -0.0000   -0.07  0.00   0.00   0.00   
1 1 1 54 5  1  o 5.2328  0.3065 5.7682  -169.5000 0.52   1.19   -0.12  -0.11  
1 1 1 54 5  2  o 5.2711  0.3071 5.7048  -119.9000 0.02   -1.08  -0.03  -0.13  
1 1 1 54 5  3  o 3.0744  0.4769 2.9472  -165.1000 -0.00  0.16   -0.01  -0.00  
1 1 1 54 5  4  o 7.2640  0.3234 6.3943  -11.0000  1.71   -0.93  -0.19  -0.11  
1 1 1 54 5  5  o 6.9000  0.2735 7.4952  -105.6000 -0.16  -1.43  -0.19  -0.12  
1 1 1 54 5  6  o 1.7360  0.8357 2.7025  31.000    -0.13  0.03   0.00   0.00   
1 1 1 54 5  7  o 2.8646  0.5332 3.5484  -87.6000  -0.61  -0.24  0.03   0.04   
1 1 1 54 5  8  o 0.0000  1.6723 ?       ?         0.35   0.01   0.01   0.05   
1 1 1 54 5  9  o 3.4563  1.0145 2.2712  109.200   -0.53  0.23   0.00   0.01   
1 1 1 54 5  10 o 5.8094  0.7786 ?       ?         -0.79  1.97   0.08   -0.03  
1 1 1 54 5  11 o 0.0000  1.7233 ?       ?         0.25   0.05   0.01   0.00   
1 1 1 54 5  12 o 3.4845  0.5496 ?       ?         -0.11  -0.24  -0.00  -0.00  
1 1 1 54 5  13 o 4.3880  0.4841 ?       ?         0.39   -0.45  0.00   -0.01  
1 1 1 54 5  14 o 5.2129  0.3885 ?       ?         0.07   -0.56  -0.01  -0.00  
1 1 1 54 5  15 o 2.7930  0.8846 ?       ?         0.72   -0.74  0.02   -0.01  
1 1 1 54 5  16 o 3.0969  0.6960 ?       ?         -0.47  0.59   -0.00  -0.00  
1 1 1 54 6  0  o 0.0000  2.1213 0.3496  -180.0000 -0.10  0.00   0.00   0.00   
1 1 1 54 6  1  o 5.0108  0.8367 4.2328  -142.7000 -0.48  -1.39  0.01   -0.05  
1 1 1 54 6  2  o 6.8592  0.3681 6.2063  -141.9000 0.39   -0.06  -0.00  -0.01  
1 1 1 54 6  3  o 4.9727  0.3382 5.6124  -110.2000 0.43   -0.41  -0.04  -0.02  
1 1 1 54 6  4  o 7.5035  0.2425 6.8983  -48.4000  1.56   -0.04  0.21   -0.18  
1 1 1 54 6  5  f 5.3405  0.3351 4.5520  -88.5000  0.23   -0.91  -0.08  0.05   
1 1 1 54 6  6  o 8.0159  0.2544 7.7934  71.100    0.48   0.61   0.02   0.04   
1 1 1 54 6  7  o 2.6969  0.5630 3.0346  137.000   0.04   0.47   -0.02  0.02   
1 1 1 54 6  8  o 3.4076  0.5033 2.8473  151.300   -0.09  0.54   -0.00  -0.02  
1 1 1 54 6  9  o 5.7847  0.3365 ?       ?         0.13   0.94   -0.02  -0.03  
1 1 1 54 6  10 o 3.0590  0.4969 ?       ?         -0.29  -0.02  0.00   -0.00  
1 1 1 54 6  11 o 6.8754  0.3883 ?       ?         -1.17  1.01   -0.04  -0.04  
1 1 1 54 6  12 o 4.9677  0.4292 ?       ?         -1.10  -0.12  0.04   0.01   
1 1 1 54 6  13 o 3.5469  0.5514 ?       ?         0.77   0.80   0.01   0.03   
1 1 1 54 6  14 o 3.0569  0.6781 ?       ?         -0.51  -0.21  -0.00  0.01   
1 1 1 54 6  15 o 2.7843  1.4011 ?       ?         0.39   -0.40  0.01   -0.00  
1 1 1 54 6  16 o 1.6692  0.8724 ?       ?         0.03   -0.82  -0.01  -0.00  
1 1 1 54 7  0  o 0.0000  2.0976 0.2701  180.000   -0.03  0.00   0.00   0.00   
1 1 1 54 7  1  f 7.0656  0.7509 8.6111  13.200    4.19   2.02   -0.01  -0.36  
1 1 1 54 7  2  o 3.1083  0.8725 0.6902  -156.2000 0.83   -0.78  -0.06  0.05   
1 1 1 54 7  3  f 5.8774  0.2975 5.2778  -179.1000 -1.32  -0.09  0.02   0.16   
1 1 1 54 7  4  o 5.4404  0.3323 5.4206  122.900   -0.50  -0.08  0.03   -0.01  
1 1 1 54 7  5  o 10.725  0.1998 11.256  -154.4000 -3.51  -1.99  0.89   0.11   
1 1 1 54 7  6  o 0.0000  1.6195 ?       ?         0.14   -0.20  -0.01  -0.04  
1 1 1 54 7  7  o 5.0494  0.3609 5.3364  53.700    0.23   0.44   0.01   0.02   
1 1 1 54 7  8  o 3.1590  0.8166 3.1888  -6.5000   0.36   0.54   0.03   0.00   
1 1 1 54 7  9  o 4.2926  0.5464 ?       ?         -1.17  1.21   0.10   0.01   
1 1 1 54 7  10 o 4.2311  0.3603 ?       ?         -0.34  -0.54  0.02   0.02   
1 1 1 54 7  11 o 2.7441  0.6118 ?       ?         0.80   0.82   0.01   0.07   
1 1 1 54 7  12 o 4.2671  0.5024 ?       ?         0.03   -0.61  -0.01  -0.01  
1 1 1 54 7  13 o 0.5049  0.7807 ?       ?         0.22   0.04   0.01   0.00   
1 1 1 54 7  14 o 1.2157  0.9341 ?       ?         0.35   -0.04  0.01   0.00   
1 1 1 54 7  15 o 1.6978  0.8802 ?       ?         0.22   -0.43  -0.00  -0.00  
1 1 1 54 7  16 o 3.8781  0.6931 ?       ?         -0.40  -0.57  -0.00  -0.00  
1 1 1 54 8  0  o 2.0000  0.8284 0.6277  -0.0000   -0.16  0.00   0.00   0.00   
1 1 1 54 8  1  f 5.4079  0.3053 3.3471  143.200   -1.17  -0.64  0.26   0.13   
1 1 1 54 8  2  o 2.4726  0.5550 1.4848  117.100   0.25   0.28   0.02   0.02   
1 1 1 54 8  3  o 2.1816  0.8015 2.6699  -73.5000  -0.37  -0.02  -0.00  0.03   
1 1 1 54 8  4  o 6.5576  0.2784 6.3174  47.500    -0.21  0.89   -0.10  0.01   
1 1 1 54 8  5  o 6.7720  0.2784 6.9742  -71.6000  0.28   -0.33  -0.02  -0.01  
1 1 1 54 8  6  o 2.6911  0.5702 2.7067  -83.0000  -0.24  0.17   0.01   -0.00  
1 1 1 54 8  7  o 8.5514  0.2417 8.5927  134.700   -2.89  0.80   0.40   -0.49  
1 1 1 54 8  8  f 2.7767  1.2567 1.5057  105.400   0.07   0.08   0.00   -0.00  
1 1 1 54 8  9  o 0.6094  0.7670 ?       ?         0.10   0.16   -0.01  -0.00  
1 1 1 54 8  10 o 4.8086  0.3275 ?       ?         -1.60  -0.07  0.18   -0.08  
1 1 1 54 8  11 o 1.2724  0.8510 ?       ?         -0.03  0.16   -0.00  -0.00  
1 1 1 54 8  12 o 2.1848  0.7469 ?       ?         0.53   -0.22  0.02   -0.01  
1 1 1 54 8  13 o 0.7725  0.8623 ?       ?         0.41   -0.20  0.02   -0.00  
1 1 1 54 8  14 o 0.6070  0.8177 ?       ?         -0.40  0.06   0.01   0.00   
1 1 1 54 8  15 o 3.9681  0.7327 ?       ?         0.97   0.67   -0.01  0.01   
1 1 1 54 9  0  o 4.0866  0.5175 3.4780  180.000   0.03   0.00   0.00   0.00   
1 1 1 54 9  1  o 1.5522  0.6424 2.4587  104.500   -0.08  -0.26  -0.03  0.01   
1 1 1 54 9  2  o 0.5189  0.7254 0.9868  8.3000    -0.23  0.17   -0.01  -0.04  
1 1 1 54 9  3  o 2.8789  0.6759 3.1829  72.700    0.05   -0.57  0.02   -0.03  
1 1 1 54 9  4  o 2.7131  0.5207 2.8597  -28.3000  -0.11  0.23   0.00   -0.01  
1 1 1 54 9  5  o 2.9546  0.4850 3.8000  169.100   -0.08  0.42   -0.00  -0.02  
1 1 1 54 9  6  o 0.9732  0.8167 1.6014  -131.7000 0.13   -0.07  0.01   -0.00  
1 1 1 54 9  7  f 2.5392  0.5695 2.9435  -68.4000  0.07   -0.38  -0.02  0.01   
1 1 1 54 9  8  o 9.0851  0.2339 9.1020  147.200   -1.23  1.08   0.10   -0.12  
1 1 1 54 9  9  o 5.4952  0.2929 ?       ?         0.80   0.50   -0.03  0.05   
1 1 1 54 9  10 o 3.6764  0.6432 ?       ?         -0.15  -1.36  -0.00  -0.08  
1 1 1 54 9  11 o 9.0663  0.2340 ?       ?         -2.10  2.04   0.06   -0.20  
1 1 1 54 9  12 o 4.1258  1.1789 ?       ?         0.02   -0.05  0.00   0.00   
1 1 1 54 9  13 o 1.9468  0.9787 ?       ?         0.30   0.23   -0.01  0.01   
1 1 1 54 9  14 o 7.2149  0.3684 ?       ?         2.90   2.08   -0.03  0.17   
1 1 1 54 9  15 o 2.8810  1.0417 ?       ?         0.32   0.66   0.00   0.00   
1 1 1 54 10 0  o 0.0000  2.1679 1.1042  180.000   -0.12  0.00   0.00   0.00   
1 1 1 54 10 1  o 0.0000  1.5712 ?       ?         -0.25  0.10   0.02   -0.04  
1 1 1 54 10 2  o 4.9263  0.3355 5.2483  28.100    1.20   0.88   -0.17  0.05   
1 1 1 54 10 3  o 6.5826  0.2734 5.6993  -165.1000 -1.01  0.24   0.11   0.04   
1 1 1 54 10 4  o 3.2322  1.4350 2.2529  -74.4000  0.06   0.04   -0.00  -0.00  
1 1 1 54 10 5  o 3.1257  0.5742 2.3350  -96.2000  0.23   0.51   -0.02  -0.02  
1 1 1 54 10 6  o 1.9804  0.6748 2.0481  108.000   -0.12  0.36   -0.01  -0.02  
1 1 1 54 10 7  o 1.3217  0.8382 1.5161  -67.8000  -0.04  0.09   -0.00  -0.00  
1 1 1 54 10 8  o 3.3066  0.4925 4.8338  -64.5000  0.86   -0.30  0.02   -0.07  
1 1 1 54 10 9  o 3.0673  0.4827 ?       ?         -0.16  -0.35  -0.01  0.01   
1 1 1 54 10 10 o 3.5521  0.4601 ?       ?         0.11   -0.22  0.00   -0.00  
1 1 1 54 10 11 o 6.3940  0.2876 ?       ?         0.26   -1.56  -0.07  -0.05  
1 1 1 54 10 12 o 5.7500  0.4484 ?       ?         0.26   -1.17  -0.01  -0.03  
1 1 1 54 10 13 o 5.1910  0.9627 ?       ?         1.46   -0.22  -0.02  -0.03  
1 1 1 54 10 14 o 3.0249  0.8792 ?       ?         0.53   -0.30  0.00   0.00   
1 1 1 54 10 15 o 1.1402  1.4351 ?       ?         0.45   0.46   0.00   0.00   
1 1 1 54 11 0  o 6.9210  0.3503 7.6970  -180.0000 -0.24  0.00   0.00   0.00   
1 1 1 54 11 1  o 1.9086  0.6444 2.6497  -179.5000 -0.23  -0.16  -0.02  0.01   
1 1 1 54 11 2  f 8.0979  0.2338 7.6849  56.500    -0.05  1.08   -0.09  0.06   
1 1 1 54 11 3  o 3.4594  1.2703 3.4033  125.000   0.09   -1.41  0.07   -0.04  
1 1 1 54 11 4  o 9.0230  0.2152 10.209  70.900    0.86   0.94   0.07   0.09   
1 1 1 54 11 5  o 6.1237  0.3070 6.5545  -57.8000  0.00   0.65   -0.04  -0.00  
1 1 1 54 11 6  o 2.8113  1.2647 2.5758  116.500   -0.31  0.20   -0.01  0.00   
1 1 1 54 11 7  o 4.4613  0.4762 4.8650  52.900    -0.22  0.35   -0.01  0.00   
1 1 1 54 11 8  o 4.4028  0.5882 ?       ?         -0.66  1.80   0.08   -0.09  
1 1 1 54 11 9  o 2.8637  0.5169 ?       ?         0.83   -0.18  0.05   -0.03  
1 1 1 54 11 10 o 0.5607  0.7465 ?       ?         0.27   0.00   0.01   0.00   
1 1 1 54 11 11 o 4.3764  0.3791 ?       ?         -1.07  0.01   0.03   0.03   
1 1 1 54 11 12 o 2.4695  1.1476 ?       ?         0.36   0.05   0.00   -0.00  
1 1 1 54 11 13 o 3.7963  0.5908 ?       ?         -0.37  -0.94  -0.01  0.02   
1 1 1 54 11 14 o 6.3863  0.6256 ?       ?         -2.24  0.04   -0.03  0.03   
1 1 1 54 11 15 o 2.8808  1.0435 ?       ?         -0.23  0.14   0.00   0.00   
1 1 1 54 12 0  o 7.6877  0.3302 7.4120  -0.0000   1.54   0.00   0.00   0.00   
1 1 1 54 12 1  o 6.7118  0.2564 6.3152  -25.9000  0.73   -0.16  0.07   -0.03  
1 1 1 54 12 2  o 2.6230  0.5306 2.3033  -26.3000  -0.52  -0.15  0.00   0.05   
1 1 1 54 12 3  f 3.8232  0.3993 2.7583  38.200    0.72   -0.18  -0.02  -0.04  
1 1 1 54 12 4  o 1.8871  0.6344 2.8287  150.100   -0.27  -0.39  -0.01  0.06   
1 1 1 54 12 5  o 6.5318  0.2924 6.2570  38.200    0.23   1.25   -0.10  0.08   
1 1 1 54 12 6  o 4.4705  0.3771 3.5445  49.400    0.12   0.08   0.00   -0.00  
1 1 1 54 12 7  o 6.3193  0.3036 7.5201  -120.4000 0.59   -0.22  0.01   -0.03  
1 1 1 54 12 8  o 2.5901  0.5722 ?       ?         -0.22  -0.11  0.00   0.00   
1 1 1 54 12 9  o 2.7025  0.4954 ?       ?         0.27   -0.03  0.00   -0.00  
1 1 1 54 12 10 o 6.0920  0.2941 ?       ?         1.61   -0.23  0.06   0.04   
1 1 1 54 12 11 o 2.9516  0.7786 ?       ?         -0.89  -0.78  -0.07  0.02   
1 1 1 54 12 12 o 2.5244  1.0957 ?       ?         -0.27  0.06   0.00   0.00   
1 1 1 54 12 13 o 3.7593  0.8063 ?       ?         -0.63  -0.60  -0.01  0.00   
1 1 1 54 12 14 o 3.2640  0.9666 ?       ?         0.51   -0.04  -0.00  0.00   
1 1 1 54 12 15 o 3.0211  1.5578 ?       ?         -0.34  0.41   0.00   0.00   
1 1 1 54 13 0  o 2.0248  0.8122 2.1337  -180.0000 -0.03  0.00   0.00   0.00   
1 1 1 54 13 1  o 5.6754  0.2927 4.8690  -133.7000 0.20   0.97   -0.12  0.00   
1 1 1 54 13 2  o 9.1711  0.1996 9.9854  -64.4000  1.29   -0.57  0.14   -0.06  
1 1 1 54 13 3  o 3.4803  0.6675 2.0453  -110.8000 -0.10  1.28   0.03   0.09   
1 1 1 54 13 4  o 2.4451  0.7105 2.7664  -122.2000 -0.45  -0.25  -0.03  0.01   
1 1 1 54 13 5  o 10.950  0.1846 11.015  -42.9000  3.28   -3.48  -0.57  -1.26  
1 1 1 54 13 6  f 4.7004  0.4049 4.3777  65.000    0.13   2.23   -0.06  -0.25  
1 1 1 54 13 7  o 5.9143  0.3211 5.1583  2.1000    -0.84  -0.51  0.01   0.07   
1 1 1 54 13 8  o 3.8531  0.4537 ?       ?         -0.45  -0.59  -0.01  0.03   
1 1 1 54 13 9  o 1.0673  0.8637 ?       ?         -0.04  -0.09  -0.00  0.00   
1 1 1 54 13 10 o 2.8411  0.9625 ?       ?         -0.71  0.41   -0.03  -0.01  
1 1 1 54 13 11 o 4.2729  0.5907 ?       ?         0.12   -0.83  0.00   -0.02  
1 1 1 54 13 12 o 6.9929  0.3871 ?       ?         -1.98  0.33   0.06   -0.02  
1 1 1 54 13 13 o 2.4101  0.9084 ?       ?         -0.36  -0.02  0.00   -0.00  
1 1 1 54 13 14 o 3.9391  0.9110 ?       ?         -0.36  -0.76  -0.00  -0.00  
1 1 1 54 13 15 o 0.5449  1.0902 ?       ?         -0.23  -0.76  -0.00  0.00   
1 1 1 54 14 0  o 4.4272  0.5310 3.2363  -0.0000   -0.07  0.00   0.00   0.00   
1 1 1 54 14 1  o 0.0000  1.5649 ?       ?         0.19   0.31   0.04   0.03   
1 1 1 54 14 2  o 5.4066  0.2990 4.8241  158.300   -1.00  0.35   0.11   -0.08  
1 1 1 54 14 3  o 11.108  0.1895 11.570  -102.0000 -0.19  -0.81  -0.04  0.00   
1 1 1 54 14 4  o 3.4098  0.4346 3.8062  -136.1000 -0.11  -0.68  -0.01  -0.03  
1 1 1 54 14 5  o 4.7749  0.3462 4.6653  -3.7000   0.11   -0.87  -0.04  -0.05  
1 1 1 54 14 6  o 2.9992  0.4932 3.2003  -127.5000 0.12   -0.97  -0.08  -0.06  
1 1 1 54 14 7  o 5.3950  0.3372 ?       ?         1.42   0.40   0.11   0.01   
1 1 1 54 14 8  o 5.8091  0.3239 ?       ?         -0.89  0.10   0.03   -0.02  
1 1 1 54 14 9  o 5.3579  0.3523 ?       ?         0.08   -0.22  -0.00  -0.00  
1 1 1 54 14 10 o 3.6225  0.3978 ?       ?         0.17   -0.44  -0.00  -0.01  
1 1 1 54 14 11 o 2.4710  0.6538 ?       ?         -0.06  0.74   -0.02  0.01   
1 1 1 54 14 12 o 4.4874  0.5424 ?       ?         -0.36  0.36   0.00   -0.00  
1 1 1 54 14 13 o 4.5712  0.7302 ?       ?         -0.34  1.21   0.01   -0.01  
1 1 1 54 14 14 o 2.4857  1.1905 ?       ?         -0.46  1.04   0.00   -0.00  
1 1 1 54 14 15 o 0.0000  4.0249 ?       ?         -0.55  -0.22  0.00   0.00   
1 1 1 54 15 0  o 4.1110  0.5435 1.5345  -180.0000 -0.35  0.00   0.00   0.00   
1 1 1 54 15 1  o 5.5380  0.5706 6.5139  -43.4000  2.01   0.09   -0.07  0.11   
1 1 1 54 15 2  o 2.8200  1.2653 1.7775  -166.5000 -0.33  -0.10  -0.01  0.00   
1 1 1 54 15 3  o 4.1363  0.3658 3.9299  -137.0000 -1.16  -0.40  0.14   -0.02  
1 1 1 54 15 4  o 4.2722  0.3697 3.9461  -170.8000 -0.42  -0.22  -0.00  0.02   
1 1 1 54 15 5  o 6.7699  0.2544 6.3856  93.800    -1.51  0.06   0.19   0.04   
1 1 1 54 15 6  o 5.5275  0.3193 4.8865  -88.1000  0.29   -0.41  0.01   -0.02  
1 1 1 54 15 7  o 3.5919  0.8174 ?       ?         0.50   0.46   0.02   -0.01  
1 1 1 54 15 8  o 5.9637  0.3164 ?       ?         0.03   -1.60  -0.07  -0.08  
1 1 1 54 15 9  o 1.5114  0.8482 ?       ?         -0.29  0.17   0.01   -0.00  
1 1 1 54 15 10 o 0.0000  1.6040 ?       ?         -0.27  -0.06  0.02   0.00   
1 1 1 54 15 11 o 1.2990  0.8831 ?       ?         0.19   0.17   0.00   0.00   
1 1 1 54 15 12 o 3.5590  1.5523 ?       ?         0.42   0.40   -0.01  0.00   
1 1 1 54 15 13 o 2.8362  0.9525 ?       ?         1.34   0.63   -0.00  0.00   
1 1 1 54 15 14 o 3.8116  2.0098 ?       ?         -0.10  -0.41  -0.00  0.00   
1 1 1 54 16 0  f 0.0000  2.2136 1.0485  180.000   0.05   0.00   0.00   0.00   
1 1 1 54 16 1  o 3.2968  0.4971 2.9739  -129.0000 -0.06  -0.49  0.00   0.02   
1 1 1 54 16 2  o 1.8481  0.7829 1.6971  -40.2000  0.24   -0.13  -0.01  -0.01  
1 1 1 54 16 3  o 5.6029  0.3107 6.3385  -159.6000 -1.31  -0.64  0.12   -0.03  
1 1 1 54 16 4  o 6.3356  0.2860 6.4930  -17.9000  0.70   1.29   0.06   0.09   
1 1 1 54 16 5  o 2.7259  0.6444 2.5319  -65.1000  0.36   -0.61  -0.04  0.02   
1 1 1 54 16 6  o 0.3717  0.7062 ?       ?         0.01   0.00   0.00   0.00   
1 1 1 54 16 7  o 1.3907  0.7326 ?       ?         -0.42  -0.00  0.02   -0.01  
1 1 1 54 16 8  o 1.7144  0.8420 ?       ?         -0.34  -0.04  0.01   -0.01  
1 1 1 54 16 9  o 3.6919  0.4981 ?       ?         0.37   0.54   -0.01  0.00   
1 1 1 54 16 10 o 3.6896  0.4717 ?       ?         -0.53  0.29   0.01   -0.01  
1 1 1 54 16 11 o 0.0000  2.0592 ?       ?         0.19   0.32   -0.00  0.01   
1 1 1 54 16 12 o 4.5866  0.7422 ?       ?         -0.07  -0.93  0.00   -0.01  
1 1 1 54 16 13 o 0.7219  1.0938 ?       ?         -0.55  0.17   0.00   -0.00  
1 1 1 54 16 14 o 0.0000  3.8601 ?       ?         0.17   0.69   0.00   0.00   
1 1 1 54 17 0  o 1.9235  0.8652 1.3404  -180.0000 -0.23  0.00   0.00   0.00   
1 1 1 54 17 1  o 4.0713  0.3904 4.3432  165.900   -0.25  -0.51  -0.02  -0.01  
1 1 1 54 17 2  o 0.6108  0.7604 0.3579  -135.4000 0.25   0.12   -0.01  0.02   
1 1 1 54 17 3  o 1.6538  0.6643 2.0540  -34.5000  -0.19  -0.16  0.01   0.01   
1 1 1 54 17 4  f 1.2272  0.7651 0.9778  45.100    -0.04  0.15   -0.01  0.00   
1 1 1 54 17 5  o 2.5907  0.5629 ?       ?         -0.20  0.04   0.00   -0.00  
1 1 1 54 17 6  o 1.4952  0.7578 ?       ?         -0.29  -0.36  -0.03  0.01   
1 1 1 54 17 7  o 1.6172  0.7285 ?       ?         -0.09  0.10   -0.00  -0.00  
1 1 1 54 17 8  o 4.7260  0.4636 ?       ?         -0.22  1.12   -0.03  0.02   
1 1 1 54 17 9  o 4.4435  0.5353 ?       ?         -0.65  -0.08  0.01   0.00   
1 1 1 54 17 10 o 3.1651  0.6218 ?       ?         -0.02  -0.67  -0.01  0.00   
1 1 1 54 17 11 o 5.3593  0.6051 ?       ?         0.12   0.48   -0.00  -0.00  
1 1 1 54 17 12 f 0.0000  2.6268 ?       ?         0.16   0.03   0.00   0.00   
1 1 1 54 17 13 o 1.5679  1.3426 ?       ?         0.22   0.39   -0.00  0.00   
1 1 1 54 17 14 o 1.2247  1.4182 ?       ?         0.98   0.41   0.00   0.00   
1 1 1 54 18 0  o 2.4495  0.7285 1.3458  -180.0000 -0.39  0.00   0.00   0.00   
1 1 1 54 18 1  o 8.0246  0.2278 8.6625  -115.0000 -0.93  -1.64  -0.14  0.19   
1 1 1 54 18 2  o 2.4047  0.5573 2.4503  -74.3000  0.30   0.22   0.01   0.02   
1 1 1 54 18 3  f 0.2634  0.6319 0.6389  136.000   -0.17  0.03   0.00   0.01   
1 1 1 54 18 4  o 2.5668  0.5159 3.2183  44.100    0.40   0.61   -0.06  0.03   
1 1 1 54 18 5  o 3.2549  0.4855 ?       ?         -0.59  0.29   0.01   -0.02  
1 1 1 54 18 6  o 2.6703  0.6083 ?       ?         -0.91  0.69   -0.03  -0.08  
1 1 1 54 18 7  o 3.7705  0.8796 ?       ?         0.15   -0.48  -0.01  0.01   
1 1 1 54 18 8  o 5.4723  0.7245 ?       ?         1.01   1.02   0.02   0.00   
1 1 1 54 18 9  o 4.9463  0.6290 ?       ?         -0.57  0.50   -0.01  -0.00  
1 1 1 54 18 10 o 2.5924  0.9765 ?       ?         -0.95  -0.54  0.01   0.01   
1 1 1 54 18 11 o 0.0000  2.5298 ?       ?         -0.40  -0.15  0.00   0.00   
1 1 1 54 18 12 o 3.5777  0.8492 ?       ?         0.25   -0.26  0.00   0.00   
1 1 1 54 18 13 o 4.1952  1.1009 ?       ?         0.97   -0.55  0.00   0.00   
1 1 1 54 18 14 o 3.5777  1.1242 ?       ?         -0.86  -1.07  0.00   0.00   
1 1 1 54 19 0  o 1.7607  0.8099 0.0731  180.000   -0.05  0.00   0.00   0.00   
1 1 1 54 19 1  o 3.6069  0.4623 3.9893  -19.9000  -1.15  -0.43  -0.05  0.06   
1 1 1 54 19 2  o 3.9312  0.3946 4.8212  176.700   -0.92  0.35   0.08   -0.02  
1 1 1 54 19 3  o 3.5729  0.4390 ?       ?         0.09   -1.14  -0.03  -0.08  
1 1 1 54 19 4  o 1.3685  0.9940 ?       ?         0.09   0.15   -0.00  -0.00  
1 1 1 54 19 5  o 3.2592  1.4418 ?       ?         0.11   0.75   0.00   0.02   
1 1 1 54 19 6  o 4.0725  0.6262 ?       ?         0.33   -0.55  -0.01  -0.01  
1 1 1 54 19 7  o 3.7515  0.9968 ?       ?         -0.45  0.60   -0.01  -0.00  
1 1 1 54 19 8  o 4.4496  0.8945 ?       ?         -0.41  1.26   -0.01  0.00   
1 1 1 54 19 9  o 3.2384  1.4920 ?       ?         1.22   0.23   0.01   0.01   
1 1 1 54 19 10 o 4.4325  0.9507 ?       ?         0.95   -0.25  0.01   0.01   
1 1 1 54 19 11 o 4.9800  0.6284 ?       ?         -0.36  1.60   0.00   0.00   
1 1 1 54 19 12 o 1.9235  1.1611 ?       ?         0.39   -1.11  0.00   0.00   
1 1 1 54 19 13 o 0.0000  3.6606 ?       ?         -0.25  -0.09  0.00   0.00   
1 1 1 54 20 0  o 0.0000  3.1305 ?       ?         -0.10  0.00   0.00   0.00   
1 1 1 54 20 1  o 5.4697  1.1204 ?       ?         -0.28  0.36   -0.00  0.00   
1 1 1 54 20 2  o 4.1685  0.7107 ?       ?         -0.62  -0.87  -0.02  0.01   
1 1 1 54 20 3  f 2.6284  0.8476 ?       ?         -0.08  -0.42  -0.01  -0.00  
1 1 1 54 20 4  o 4.1474  0.7154 ?       ?         -0.91  -0.48  -0.00  0.02   
1 1 1 54 20 5  f 5.1992  0.6737 ?       ?         0.29   1.12   -0.01  -0.02  
1 1 1 54 20 6  o 4.0883  0.7655 ?       ?         -0.38  0.70   0.00   -0.01  
1 1 1 54 20 7  f 4.0351  0.9524 ?       ?         -0.10  0.49   -0.00  -0.00  
1 1 1 54 20 8  o 0.0000  2.6439 ?       ?         0.35   0.05   0.00   0.00   
1 1 1 54 20 9  o 4.7144  1.3359 ?       ?         -0.14  0.22   0.00   0.00   
1 1 1 54 20 10 o 1.4415  1.5149 ?       ?         0.27   0.03   0.00   0.00   
1 1 1 54 20 11 o 3.5496  0.8444 ?       ?         -0.21  -1.26  0.00   0.00   
1 1 1 54 21 0  o 7.9436  0.5629 ?       ?         0.31   0.00   0.00   0.00   
1 1 1 54 21 1  o 2.9442  0.7683 ?       ?         -0.41  0.32   0.01   -0.01  
1 1 1 54 21 2  o 3.2202  0.8118 ?       ?         -0.03  -0.49  -0.01  -0.00  
1 1 1 54 21 3  o 5.2654  0.5729 ?       ?         2.64   0.79   0.05   0.08   
1 1 1 54 21 4  o 2.4365  1.1804 ?       ?         0.03   -0.13  -0.00  -0.00  
1 1 1 54 21 5  o 3.3528  1.5058 ?       ?         0.22   -0.78  -0.00  -0.02  
1 1 1 54 21 6  o 0.7579  1.2096 ?       ?         -0.03  0.40   -0.00  -0.00  
1 1 1 54 21 7  f 3.7065  1.1024 ?       ?         -0.68  -0.67  0.00   0.00   
1 1 1 54 21 8  o 4.5118  2.1579 ?       ?         -0.02  0.31   -0.00  -0.00  
1 1 1 54 21 9  o 2.5545  1.6330 ?       ?         0.12   0.23   0.00   -0.00  
1 1 1 54 21 10 o 1.3730  1.6507 ?       ?         0.02   0.01   -0.00  0.00   
1 1 1 54 22 0  o 0.0000  3.1464 ?       ?         0.03   0.00   0.00   0.00   
1 1 1 54 22 1  o 4.9092  1.6959 ?       ?         1.61   1.23   -0.07  -0.01  
1 1 1 54 22 2  o 3.5849  0.8094 ?       ?         -1.20  0.45   0.01   -0.02  
1 1 1 54 22 3  o 2.9751  0.9064 ?       ?         -0.03  -0.58  -0.01  -0.01  
1 1 1 54 22 4  o 2.3996  0.9315 ?       ?         0.25   -0.80  -0.01  -0.02  
1 1 1 54 22 5  o 0.8666  1.2642 ?       ?         0.39   0.16   0.00   0.00   
1 1 1 54 22 6  o 1.3630  1.3530 ?       ?         0.02   -0.26  -0.00  -0.00  
1 1 1 54 22 7  o 7.1688  0.7407 ?       ?         0.42   -0.42  0.00   -0.00  
1 1 1 54 22 8  o 3.1952  1.3969 ?       ?         -0.29  0.09   -0.00  0.00   
1 1 1 54 22 9  o 5.3889  1.1064 ?       ?         -0.97  -1.08  -0.00  -0.01  
1 1 1 54 22 10 o 3.8079  1.7198 ?       ?         0.52   -0.43  0.00   0.00   
1 1 1 54 23 0  o 0.0000  3.2404 ?       ?         0.01   0.00   0.00   0.00   
1 1 1 54 23 1  o 2.3159  1.0047 ?       ?         0.46   0.10   0.00   0.00   
1 1 1 54 23 2  o 5.2643  0.7609 ?       ?         0.61   0.33   0.00   0.00   
1 1 1 54 23 3  o 2.9448  1.0157 ?       ?         -0.27  0.66   -0.00  -0.01  
1 1 1 54 23 4  o 0.0000  2.4540 ?       ?         0.06   0.19   -0.00  -0.00  
1 1 1 54 23 5  o 2.1066  1.2952 ?       ?         -0.61  -0.33  0.00   0.00   
1 1 1 54 23 6  o 5.5640  1.0141 ?       ?         0.63   1.30   -0.00  0.00   
1 1 1 54 23 7  o 5.2947  1.1636 ?       ?         0.48   -0.29  -0.00  0.00   
1 1 1 54 23 8  f 3.9132  1.5213 ?       ?         -0.98  -0.95  -0.00  -0.01  
1 1 1 54 23 9  o 4.4272  1.7746 ?       ?         -0.06  -0.76  0.00   0.00   
1 1 1 54 24 0  o 5.0000  1.0933 ?       ?         0.94   0.00   0.00   0.00   
1 1 1 54 24 1  o 5.7838  0.7595 ?       ?         -1.15  -0.38  0.00   0.00   
1 1 1 54 24 2  o 1.4196  1.3349 ?       ?         -0.09  -0.05  0.00   0.00   
1 1 1 54 24 3  f 9.9639  3.7390 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 54 24 4  o 2.5589  1.1721 ?       ?         -0.10  0.40   -0.00  -0.00  
1 1 1 54 24 5  f 5.0943  1.5510 ?       ?         0.80   -0.80  0.00   0.00   
1 1 1 54 24 6  o 5.9068  2.7151 ?       ?         -0.10  -1.23  0.01   0.00   
1 1 1 54 24 7  o 5.1591  1.0820 ?       ?         0.80   1.07   -0.00  -0.01  
1 1 1 54 24 8  f 5.2726  1.5496 ?       ?         -0.88  -0.73  0.00   0.00   
1 1 1 54 25 0  o 4.1593  1.2412 ?       ?         -0.36  0.00   0.00   0.00   
1 1 1 54 25 1  o 0.0000  2.6782 ?       ?         0.41   -0.00  0.00   -0.00  
1 1 1 54 25 2  o 3.5298  1.0308 ?       ?         0.67   0.24   0.00   0.00   
1 1 1 54 25 3  o 5.8368  1.5518 ?       ?         -1.26  0.64   0.00   0.01   
1 1 1 54 25 4  o 1.3648  1.5884 ?       ?         0.25   -0.66  -0.00  -0.00  
1 1 1 54 25 5  o 0.0000  2.9313 ?       ?         -0.53  -0.29  0.00   0.00   
1 1 1 54 25 6  o 0.0000  2.9828 ?       ?         -0.84  0.15   0.01   -0.00  
1 1 1 54 25 7  o 0.0000  3.9749 ?       ?         0.21   0.02   0.00   0.00   
1 1 1 54 26 0  o 3.0659  1.7468 ?       ?         0.09   0.00   0.00   0.00   
1 1 1 54 26 1  o 3.4265  1.1570 ?       ?         -0.05  -0.74  -0.00  -0.00  
1 1 1 54 26 2  o 4.6632  1.1387 ?       ?         0.89   0.68   -0.00  -0.00  
1 1 1 54 26 3  o 3.0724  1.3663 ?       ?         -0.40  0.34   -0.00  0.00   
1 1 1 54 26 4  o 3.0659  1.5162 ?       ?         -0.48  0.76   0.00   0.00   
1 1 1 54 26 5  o 3.9344  1.9158 ?       ?         -0.46  -0.37  0.00   -0.00  
1 1 1 54 27 0  o 7.6289  1.1648 ?       ?         -1.75  0.00   0.00   0.00   
1 1 1 54 27 1  o 4.9351  1.6997 ?       ?         -0.29  -0.38  0.00   -0.00  
1 1 1 54 27 2  o 4.2238  1.2824 ?       ?         -0.44  -0.79  0.00   -0.00  
1 1 1 54 27 3  o 6.8534  0.9143 ?       ?         -0.96  -2.31  0.01   -0.03  
1 1 1 55 0  1  o 10.383  0.2721 10.808  -135.0000 0.05   0.05   0.00   0.00   
1 1 1 55 0  2  o 1.1402  0.9412 0.7875  180.000   0.10   0.00   0.00   0.00   
1 1 1 55 0  3  o 2.8983  0.7257 2.1189  135.000   -0.15  0.15   0.00   0.00   
1 1 1 55 0  4  o 0.0000  2.3238 1.4635  -90.0000  -0.00  -0.07  0.00   0.00   
1 1 1 55 0  5  f 2.0494  0.8660 4.5042  45.000    -0.04  -0.04  0.00   0.00   
1 1 1 55 0  6  o 5.0794  0.4996 5.3502  0.0000    -0.22  0.00   0.00   0.00   
1 1 1 55 0  7  o 2.7928  0.7527 2.1926  -45.0000  -0.04  0.04   0.00   0.00   
1 1 1 55 0  8  f 4.8062  0.5394 ?       ?         0.00   0.01   0.00   0.00   
1 1 1 55 0  9  o 4.1231  0.5610 ?       ?         -0.03  -0.03  0.00   0.00   
1 1 1 55 0  10 o 8.4558  0.3024 ?       ?         -1.39  0.00   0.00   0.00   
1 1 1 55 0  11 o 0.7746  0.9857 ?       ?         0.16   -0.16  0.00   0.00   
1 1 1 55 0  12 f 1.6733  0.9534 ?       ?         0.00   0.38   0.00   0.00   
1 1 1 55 0  13 f 0.6325  1.0700 ?       ?         -0.08  -0.08  0.00   0.00   
1 1 1 55 0  14 o 1.3038  0.9321 ?       ?         -0.37  0.00   0.00   0.00   
1 1 1 55 0  15 o 3.2863  0.6805 ?       ?         0.18   -0.18  0.00   0.00   
1 1 1 55 1  0  o 1.3784  0.9098 0.9284  180.000   -0.05  0.00   0.00   0.00   
1 1 1 55 1  1  o 3.1681  0.5152 2.9484  -62.9000  0.01   0.06   -0.00  -0.00  
1 1 1 55 1  2  f 3.2425  0.6476 2.4623  -169.5000 0.30   -0.90  0.06   -0.03  
1 1 1 55 1  3  o 2.5812  0.5421 2.3816  72.200    0.36   -0.17  0.03   -0.00  
1 1 1 55 1  4  o 4.2327  0.3985 4.3691  86.800    0.32   0.23   0.01   -0.00  
1 1 1 55 1  5  o 3.9844  0.4912 3.6975  -140.4000 -0.15  -0.85  -0.01  -0.04  
1 1 1 55 1  6  o 4.1680  0.5940 3.3231  -104.2000 0.95   -1.12  -0.08  0.03   
1 1 1 55 1  7  o 3.3473  0.4967 3.3903  57.000    0.38   -0.19  0.02   -0.00  
1 1 1 55 1  8  o 2.9925  0.5474 ?       ?         -0.01  -0.07  -0.00  0.00   
1 1 1 55 1  9  o 5.8769  0.3134 ?       ?         1.23   0.13   0.05   0.06   
1 1 1 55 1  10 o 2.6255  0.5106 ?       ?         -0.52  0.09   0.03   -0.01  
1 1 1 55 1  11 o 4.1885  0.3982 ?       ?         0.29   0.83   -0.03  -0.01  
1 1 1 55 1  12 o 1.5938  0.7860 ?       ?         -0.45  -0.42  0.02   0.02   
1 1 1 55 1  13 o 4.8818  0.4220 ?       ?         -0.33  0.60   -0.01  -0.01  
1 1 1 55 1  14 o 1.8837  0.8630 ?       ?         0.33   0.66   -0.03  0.00   
1 1 1 55 1  15 o 1.8322  1.0675 ?       ?         -0.29  0.21   0.00   -0.00  
1 1 1 55 2  0  o 4.8580  0.4589 4.7163  180.000   0.04   0.00   0.00   0.00   
1 1 1 55 2  1  o 3.2637  0.4578 3.5331  -28.9000  -0.36  0.49   0.01   -0.06  
1 1 1 55 2  2  o 5.4433  0.3095 6.2979  -136.6000 0.34   -0.94  -0.12  0.03   
1 1 1 55 2  3  o 2.6787  0.5718 1.6488  -139.0000 -0.14  -0.79  0.03   0.08   
1 1 1 55 2  4  o 4.1973  0.4020 4.2814  79.700    0.07   0.29   -0.01  -0.00  
1 1 1 55 2  5  o 7.2333  0.2802 7.0780  153.700   -0.89  0.52   0.07   -0.01  
1 1 1 55 2  6  o 1.7666  0.7529 1.8194  170.300   0.04   -0.38  -0.02  0.02   
1 1 1 55 2  7  o 2.1300  0.9862 2.4528  -83.7000  0.37   0.08   0.01   -0.01  
1 1 1 55 2  8  o 4.9803  0.4158 ?       ?         0.40   -0.53  -0.02  -0.00  
1 1 1 55 2  9  o 5.3160  0.3306 ?       ?         1.21   -1.15  -0.10  -0.11  
1 1 1 55 2  10 o 3.0606  0.5033 ?       ?         0.01   -0.62  -0.01  0.02   
1 1 1 55 2  11 f 2.7568  0.5321 ?       ?         0.12   0.44   -0.01  0.01   
1 1 1 55 2  12 o 2.2625  1.0504 ?       ?         -0.32  -0.01  0.00   0.01   
1 1 1 55 2  13 o 3.1158  0.5729 ?       ?         -0.00  -0.18  -0.00  0.00   
1 1 1 55 2  14 o 2.6103  0.7304 ?       ?         -0.53  1.33   -0.03  -0.01  
1 1 1 55 2  15 o 3.4593  0.9684 ?       ?         0.45   0.37   -0.00  0.00   
1 1 1 55 3  0  o 10.780  0.2537 11.652  -180.0000 0.09   0.00   0.00   0.00   
1 1 1 55 3  1  f 5.6665  0.3330 5.4256  -59.8000  0.02   -1.61  0.00   0.17   
1 1 1 55 3  2  o 4.8506  0.3443 4.5546  -33.7000  0.31   0.30   0.02   0.01   
1 1 1 55 3  3  o 2.5409  0.6244 2.6485  -121.4000 -0.23  0.42   0.02   -0.02  
1 1 1 55 3  4  o 4.7844  0.3579 4.9008  164.300   -0.93  0.15   0.08   -0.07  
1 1 1 55 3  5  o 7.4387  0.4268 6.9613  -37.6000  -0.25  0.36   0.01   -0.00  
1 1 1 55 3  6  o 2.9925  1.3474 1.8301  -56.7000  0.17   0.82   0.04   0.03   
1 1 1 55 3  7  o 3.1333  0.6206 3.7238  -89.3000  0.30   -0.38  -0.02  0.00   
1 1 1 55 3  8  o 4.9151  0.3809 ?       ?         0.01   0.16   -0.00  0.00   
1 1 1 55 3  9  o 5.4270  0.3253 ?       ?         0.37   1.32   -0.00  0.10   
1 1 1 55 3  10 o 1.9177  0.6191 ?       ?         -0.96  -0.51  0.06   0.10   
1 1 1 55 3  11 o 3.2217  0.4733 ?       ?         0.14   0.31   -0.00  0.00   
1 1 1 55 3  12 o 0.0000  1.7387 ?       ?         0.28   -0.41  -0.00  -0.02  
1 1 1 55 3  13 o 2.5535  0.6091 ?       ?         0.08   -0.18  -0.00  0.00   
1 1 1 55 3  14 o 1.4895  0.8629 ?       ?         -0.94  -0.15  0.02   0.01   
1 1 1 55 3  15 o 0.5061  0.7520 ?       ?         -0.22  -0.11  0.00   0.00   
1 1 1 55 4  0  o 5.3852  0.4367 6.6897  180.000   -0.61  0.00   0.00   0.00   
1 1 1 55 4  1  o 5.5547  0.3012 5.4831  -172.5000 -1.40  -0.84  0.32   0.15   
1 1 1 55 4  2  o 2.2363  0.5650 2.6727  69.700    -0.02  -0.54  -0.05  0.05   
1 1 1 55 4  3  o 12.473  0.1797 11.445  14.900    0.92   -1.16  0.01   -0.12  
1 1 1 55 4  4  o 5.1518  0.3336 4.4285  175.300   0.10   -0.29  -0.00  -0.01  
1 1 1 55 4  5  o 4.4968  0.3806 4.4836  87.600    0.05   0.58   -0.01  0.03   
1 1 1 55 4  6  o 5.0501  0.3629 5.8892  -154.0000 -1.48  -0.83  0.20   0.12   
1 1 1 55 4  7  o 2.9071  0.5677 2.5943  18.000    -0.26  0.17   0.00   -0.01  
1 1 1 55 4  8  o 0.0000  1.7097 ?       ?         -0.03  0.25   -0.01  -0.00  
1 1 1 55 4  9  o 1.6084  0.6749 ?       ?         0.20   0.28   -0.01  0.02   
1 1 1 55 4  10 o 5.3710  0.3097 ?       ?         1.91   0.37   0.15   0.07   
1 1 1 55 4  11 o 2.2741  1.0708 ?       ?         -0.20  0.40   0.01   -0.01  
1 1 1 55 4  12 o 2.6981  0.6151 ?       ?         -0.40  -0.80  -0.03  0.01   
1 1 1 55 4  13 o 6.5950  0.6785 ?       ?         1.21   -1.33  0.04   -0.02  
1 1 1 55 4  14 o 2.6135  0.7250 ?       ?         1.13   0.85   0.00   0.03   
1 1 1 55 4  15 o 3.7784  1.6923 ?       ?         -0.25  0.40   0.00   -0.00  
1 1 1 55 5  0  o 3.4205  0.6114 3.9245  -180.0000 -0.04  0.00   0.00   0.00   
1 1 1 55 5  1  o 7.0360  0.2529 6.8509  21.900    1.85   -0.45  0.19   0.20   
1 1 1 55 5  2  o 3.7748  0.4500 4.8893  -128.3000 0.75   0.44   -0.05  0.02   
1 1 1 55 5  3  o 4.5033  0.3720 3.7727  -11.0000  0.17   -0.41  0.01   -0.01  
1 1 1 55 5  4  o 3.6621  0.4627 3.4080  -73.7000  -0.73  -0.21  -0.02  0.03   
1 1 1 55 5  5  o 3.0402  0.5244 3.1976  112.900   -0.88  0.46   -0.02  -0.09  
1 1 1 55 5  6  o 5.9979  0.3155 5.5998  59.300    -0.75  2.22   -0.42  -0.08  
1 1 1 55 5  7  o 5.7365  0.3585 5.3336  -64.8000  -1.41  -0.23  -0.01  0.10   
1 1 1 55 5  8  o 6.3812  0.3227 ?       ?         -0.60  0.04   0.02   -0.00  
1 1 1 55 5  9  o 5.6902  0.3121 ?       ?         -0.48  -1.28  0.02   0.08   
1 1 1 55 5  10 o 3.6462  0.4250 ?       ?         0.10   -0.03  0.00   -0.00  
1 1 1 55 5  11 o 1.0726  0.7920 ?       ?         -0.25  0.23   -0.00  -0.02  
1 1 1 55 5  12 f 6.3164  0.3384 ?       ?         1.62   -0.21  0.06   -0.01  
1 1 1 55 5  13 o 3.8684  0.5291 ?       ?         0.41   -1.41  -0.03  -0.01  
1 1 1 55 5  14 o 2.1921  0.6790 ?       ?         0.38   -1.41  -0.03  -0.03  
1 1 1 55 5  15 o 1.0675  0.8850 ?       ?         0.62   0.03   0.01   0.01   
1 1 1 55 6  0  o 3.0822  0.6559 3.4125  -0.0000   0.05   0.00   0.00   0.00   
1 1 1 55 6  1  o 3.9312  0.4016 3.6544  165.800   0.08   -0.01  -0.00  -0.00  
1 1 1 55 6  2  o 3.8296  0.3987 2.6142  -171.1000 -0.75  0.07   0.05   -0.05  
1 1 1 55 6  3  o 5.9055  0.2933 5.4589  59.200    1.80   -0.28  0.28   0.15   
1 1 1 55 6  4  o 1.9617  0.6471 1.0625  -67.3000  -0.15  0.35   -0.03  0.01   
1 1 1 55 6  5  o 5.5663  0.3370 5.8179  -6.8000   1.08   -1.43  0.12   -0.19  
1 1 1 55 6  6  o 0.9669  0.8463 0.3397  -58.1000  0.17   0.49   0.02   0.05   
1 1 1 55 6  7  o 4.1021  0.4366 3.9359  -19.3000  0.39   0.41   -0.01  0.02   
1 1 1 55 6  8  o 5.3619  0.3517 ?       ?         0.02   0.94   -0.02  -0.03  
1 1 1 55 6  9  o 2.5939  1.2210 ?       ?         -0.20  0.89   0.04   -0.04  
1 1 1 55 6  10 o 2.4964  0.5950 ?       ?         0.23   0.32   0.01   0.01   
1 1 1 55 6  11 o 3.1297  0.5443 ?       ?         -0.54  -0.04  0.00   0.01   
1 1 1 55 6  12 o 1.1787  0.9152 ?       ?         0.16   -0.47  -0.00  -0.02  
1 1 1 55 6  13 o 2.6282  1.2568 ?       ?         0.56   0.49   -0.02  0.01   
1 1 1 55 6  14 o 1.4859  0.7925 ?       ?         0.10   -0.75  -0.02  -0.00  
1 1 1 55 6  15 o 2.5582  1.2512 ?       ?         -0.48  0.08   0.00   0.00   
1 1 1 55 7  0  f 7.1903  0.3699 4.9735  -180.0000 -1.22  0.00   0.00   0.00   
1 1 1 55 7  1  f 3.8955  0.4031 2.9457  80.900    0.34   0.17   0.01   -0.00  
1 1 1 55 7  2  o 3.0431  0.7102 1.8347  -1.9000   -0.41  -0.44  0.02   -0.01  
1 1 1 55 7  3  o 0.0000  1.6046 ?       ?         0.13   0.06   -0.00  0.01   
1 1 1 55 7  4  o 2.5691  0.6575 2.4530  23.900    0.40   -0.24  0.02   0.01   
1 1 1 55 7  5  f 8.2718  0.2861 6.7317  -172.9000 0.42   0.50   -0.02  0.00   
1 1 1 55 7  6  o 7.9453  0.2567 8.9934  96.100    -0.40  1.77   -0.20  -0.02  
1 1 1 55 7  7  o 5.3908  0.3601 6.2046  -162.0000 -1.46  -0.59  0.02   0.16   
1 1 1 55 7  8  o 5.9904  0.6260 ?       ?         0.03   -0.19  0.00   -0.00  
1 1 1 55 7  9  o 2.5503  0.9543 ?       ?         0.28   -0.26  -0.01  -0.00  
1 1 1 55 7  10 o 2.4781  0.5236 ?       ?         0.80   -0.23  0.05   0.02   
1 1 1 55 7  11 o 5.4554  0.3438 ?       ?         0.59   -0.83  -0.03  -0.01  
1 1 1 55 7  12 o 3.0423  0.6092 ?       ?         -0.07  0.16   -0.00  -0.00  
1 1 1 55 7  13 o 2.0281  0.7578 ?       ?         -0.27  -0.12  -0.00  0.00   
1 1 1 55 7  14 o 2.3913  1.0595 ?       ?         0.17   -0.04  0.00   -0.00  
1 1 1 55 7  15 o 2.3238  1.1566 ?       ?         -0.33  0.17   0.00   0.00   
1 1 1 55 8  0  o 2.5495  0.7355 2.8769  180.000   0.15   0.00   0.00   0.00   
1 1 1 55 8  1  o 6.6133  0.2648 6.0702  -122.6000 0.45   -0.53  -0.01  -0.05  
1 1 1 55 8  2  o 7.3917  0.2479 6.8753  70.700    -0.26  1.66   -0.21  -0.16  
1 1 1 55 8  3  o 1.7176  0.6675 2.1035  43.000    0.02   0.07   -0.00  0.00   
1 1 1 55 8  4  o 5.1269  0.3326 5.0299  -130.1000 -0.89  -1.49  -0.21  0.17   
1 1 1 55 8  5  o 0.0000  1.6320 ?       ?         0.20   -0.01  0.01   -0.00  
1 1 1 55 8  6  o 7.3457  0.2896 6.1305  36.600    0.18   2.20   -0.10  0.21   
1 1 1 55 8  7  o 6.5586  0.3374 7.7250  132.800   -0.47  0.85   -0.04  0.01   
1 1 1 55 8  8  o 0.0000  1.6955 ?       ?         -0.05  0.23   -0.02  -0.01  
1 1 1 55 8  9  o 4.8638  0.3829 ?       ?         0.45   -0.77  0.01   -0.03  
1 1 1 55 8  10 o 2.1210  0.6380 ?       ?         -0.19  0.29   0.00   -0.01  
1 1 1 55 8  11 o 6.5974  0.3063 ?       ?         1.90   -1.00  0.04   -0.13  
1 1 1 55 8  12 o 4.2970  0.4931 ?       ?         -0.67  0.59   0.01   -0.01  
1 1 1 55 8  13 f 0.0000  1.7763 ?       ?         -0.43  0.48   0.02   -0.02  
1 1 1 55 8  14 o 2.5650  0.7436 ?       ?         0.09   -0.87  -0.01  -0.01  
1 1 1 55 8  15 o 1.8439  1.2438 ?       ?         -0.15  0.02   0.00   0.00   
1 1 1 55 9  0  o 2.3238  0.7727 1.5590  0.0000    -0.25  0.00   0.00   0.00   
1 1 1 55 9  1  o 6.4394  0.2689 5.6946  -27.4000  0.79   -0.24  0.02   -0.06  
1 1 1 55 9  2  o 2.9107  0.5183 2.8349  -147.3000 0.30   -0.70  -0.05  0.03   
1 1 1 55 9  3  f 2.9649  0.8909 2.0162  11.100    0.79   0.33   -0.05  0.01   
1 1 1 55 9  4  f 6.7429  0.2797 6.3571  1.9000    -0.29  0.18   0.01   -0.00  
1 1 1 55 9  5  o 2.3680  0.9176 2.0985  -141.6000 -0.13  -0.77  -0.02  -0.06  
1 1 1 55 9  6  o 5.7790  0.3234 6.5800  -118.2000 -1.50  -0.83  -0.02  0.20   
1 1 1 55 9  7  o 5.0091  0.4763 ?       ?         0.62   1.07   0.04   0.04   
1 1 1 55 9  8  o 2.1337  0.9865 ?       ?         0.05   -0.15  -0.00  0.00   
1 1 1 55 9  9  o 2.2948  0.6226 ?       ?         -0.28  -0.20  -0.01  0.01   
1 1 1 55 9  10 o 2.7771  0.5443 ?       ?         0.30   0.09   0.01   0.00   
1 1 1 55 9  11 o 4.7969  0.3575 ?       ?         0.66   -0.27  0.01   -0.01  
1 1 1 55 9  12 o 2.1664  0.7263 ?       ?         -0.27  0.40   -0.01  -0.01  
1 1 1 55 9  13 o 0.0000  1.7705 ?       ?         0.09   0.79   -0.04  -0.01  
1 1 1 55 9  14 o 4.1473  0.9497 ?       ?         0.57   1.37   0.00   0.00   
1 1 1 55 9  15 o 2.7386  0.9259 ?       ?         -0.98  0.16   0.00   0.00   
1 1 1 55 10 0  o 0.0000  2.1909 0.2251  180.000   0.10   0.00   0.00   0.00   
1 1 1 55 10 1  o 2.8634  0.9523 1.1603  48.600    -0.17  0.66   0.00   0.03   
1 1 1 55 10 2  o 2.4311  0.5671 2.0853  -171.2000 0.25   -0.15  0.01   -0.00  
1 1 1 55 10 3  o 2.2962  0.5804 2.6111  71.700    -0.30  0.14   0.01   -0.01  
1 1 1 55 10 4  o 3.8686  0.4040 4.7335  -131.5000 -0.69  -0.09  0.03   -0.03  
1 1 1 55 10 5  o 3.2181  0.5983 3.8664  140.500   -1.12  0.35   -0.05  -0.07  
1 1 1 55 10 6  o 4.3314  0.4203 4.2784  -35.6000  -1.10  -0.48  -0.03  0.07   
1 1 1 55 10 7  o 4.9495  0.3849 ?       ?         -0.72  -0.71  -0.03  0.03   
1 1 1 55 10 8  o 2.7026  0.5267 ?       ?         0.40   -0.10  -0.00  -0.01  
1 1 1 55 10 9  o 0.0000  1.7387 ?       ?         0.02   -0.32  -0.01  -0.00  
1 1 1 55 10 10 o 4.6592  0.3718 ?       ?         -1.48  -0.54  0.05   0.08   
1 1 1 55 10 11 o 3.0470  1.1372 ?       ?         1.03   0.12   0.01   -0.04  
1 1 1 55 10 12 o 3.6128  0.6035 ?       ?         0.04   -0.69  -0.00  -0.01  
1 1 1 55 10 13 o 0.5855  0.8873 ?       ?         -0.13  0.18   0.00   -0.00  
1 1 1 55 10 14 o 5.2345  0.7960 ?       ?         -0.71  1.16   0.00   0.00   
1 1 1 55 11 0  o 3.2249  0.6577 2.8696  -0.0000   0.27   0.00   0.00   0.00   
1 1 1 55 11 1  o 0.9040  0.7825 0.9276  -137.0000 -0.47  0.03   0.02   0.06   
1 1 1 55 11 2  o 1.8158  0.7346 1.0239  171.700   0.19   0.07   0.01   -0.00  
1 1 1 55 11 3  o 4.7581  0.3616 5.6887  130.200   -0.53  1.83   0.05   -0.20  
1 1 1 55 11 4  o 1.9990  0.9332 1.7932  175.200   -0.84  -0.09  -0.03  -0.08  
1 1 1 55 11 5  o 0.0000  1.6731 ?       ?         0.22   -0.13  0.01   -0.02  
1 1 1 55 11 6  o 3.2124  0.4920 3.0366  -161.2000 0.18   -0.25  -0.01  -0.00  
1 1 1 55 11 7  o 3.3412  0.5077 ?       ?         0.06   0.53   -0.01  -0.01  
1 1 1 55 11 8  o 5.6755  0.3256 ?       ?         -1.11  -1.07  -0.07  0.08   
1 1 1 55 11 9  o 0.8413  0.8349 ?       ?         0.28   0.04   0.01   0.01   
1 1 1 55 11 10 o 3.8991  0.4337 ?       ?         -0.33  -0.22  -0.00  0.01   
1 1 1 55 11 11 o 4.5954  0.4351 ?       ?         -0.17  0.27   0.00   -0.00  
1 1 1 55 11 12 f 2.8810  0.6154 ?       ?         -0.17  -0.06  0.00   0.00   
1 1 1 55 11 13 o 2.9973  1.2265 ?       ?         0.50   1.02   -0.01  -0.00  
1 1 1 55 11 14 o 0.0000  3.1305 ?       ?         -0.46  0.29   0.00   0.00   
1 1 1 55 12 0  f 4.2308  0.5316 4.8926  -0.0000   0.02   0.00   0.00   0.00   
1 1 1 55 12 1  o 2.1234  0.5959 3.1490  -72.6000  -0.07  -0.19  -0.00  0.00   
1 1 1 55 12 2  o 6.9034  0.2617 7.3484  79.300    2.03   0.31   0.21   -0.15  
1 1 1 55 12 3  o 9.7735  0.2029 10.550  147.600   -1.48  1.81   0.13   -0.28  
1 1 1 55 12 4  o 6.8396  0.2734 5.6295  -12.2000  0.15   0.25   -0.00  0.00   
1 1 1 55 12 5  o 2.3071  0.6527 1.9172  102.200   -0.77  0.44   0.09   0.01   
1 1 1 55 12 6  o 4.6790  0.3804 ?       ?         -2.11  -1.50  -0.00  0.35   
1 1 1 55 12 7  o 5.6217  0.3281 ?       ?         -0.16  -0.48  -0.01  0.01   
1 1 1 55 12 8  f 2.2825  0.6312 ?       ?         0.18   0.03   0.00   0.00   
1 1 1 55 12 9  o 5.0358  0.5136 ?       ?         -0.97  0.53   -0.01  -0.02  
1 1 1 55 12 10 o 2.2515  0.9402 ?       ?         0.23   -0.02  0.00   -0.00  
1 1 1 55 12 11 o 0.0000  1.7248 ?       ?         0.33   0.05   0.01   0.00   
1 1 1 55 12 12 o 2.6999  0.6240 ?       ?         -0.04  -0.13  -0.00  0.00   
1 1 1 55 12 13 o 3.3120  0.9121 ?       ?         -0.38  -0.63  -0.00  -0.00  
1 1 1 55 12 14 f 4.6476  0.9037 ?       ?         0.09   1.12   0.00   0.00   
1 1 1 55 13 0  o 2.8284  0.6812 3.1895  -0.0000   0.12   0.00   0.00   0.00   
1 1 1 55 13 1  o 2.9754  0.4707 4.0642  150.300   0.08   0.35   -0.01  0.01   
1 1 1 55 13 2  o 2.6464  0.5340 3.0054  79.800    0.22   0.49   -0.00  0.03   
1 1 1 55 13 3  o 2.9223  0.5065 1.5385  -7.8000   0.49   -1.10  -0.13  -0.06  
1 1 1 55 13 4  f 4.0649  0.4073 4.6096  15.500    0.13   0.10   -0.00  0.00   
1 1 1 55 13 5  o 2.6867  0.5329 1.6278  -99.5000  0.03   0.46   -0.02  -0.00  
1 1 1 55 13 6  o 3.6839  0.4418 ?       ?         -0.29  0.23   -0.00  -0.01  
1 1 1 55 13 7  o 3.0007  0.5380 ?       ?         -0.29  0.44   0.01   -0.01  
1 1 1 55 13 8  o 5.0244  0.4458 ?       ?         -0.97  1.33   -0.07  -0.01  
1 1 1 55 13 9  o 4.3453  0.4728 ?       ?         0.54   0.41   -0.01  0.01   
1 1 1 55 13 10 o 6.8885  0.2846 ?       ?         -3.69  2.46   0.36   -0.17  
1 1 1 55 13 11 o 4.7314  0.8049 ?       ?         0.52   1.67   -0.02  -0.05  
1 1 1 55 13 12 o 2.6472  0.8794 ?       ?         0.44   0.02   0.00   0.00   
1 1 1 55 13 13 o 2.7368  1.6037 ?       ?         0.25   -0.05  0.00   -0.00  
1 1 1 55 13 14 o 2.1213  1.1824 ?       ?         -1.05  -0.49  0.00   0.00   
1 1 1 55 14 0  o 2.3664  0.7539 3.2914  -0.0000   -0.11  0.00   0.00   0.00   
1 1 1 55 14 1  o 7.5893  0.4691 7.2723  -8.2000   -1.38  -0.76  -0.06  0.02   
1 1 1 55 14 2  o 3.7569  0.4087 3.0954  -122.2000 -1.27  -0.18  0.12   0.07   
1 1 1 55 14 3  o 7.5099  0.3661 8.5533  3.4000    2.07   -1.94  0.28   0.03   
1 1 1 55 14 4  o 2.0777  0.6076 3.5778  55.200    0.17   0.15   -0.00  0.01   
1 1 1 55 14 5  o 4.8694  0.3509 ?       ?         0.04   -0.74  -0.01  -0.02  
1 1 1 55 14 6  o 4.0869  0.4173 ?       ?         0.84   -0.67  0.04   -0.03  
1 1 1 55 14 7  o 1.2043  0.8184 ?       ?         0.28   -0.11  -0.00  -0.01  
1 1 1 55 14 8  o 5.5691  0.3573 ?       ?         -0.42  -0.47  0.00   0.01   
1 1 1 55 14 9  o 5.0116  0.3939 ?       ?         0.69   1.11   -0.04  0.03   
1 1 1 55 14 10 o 3.4181  0.4541 ?       ?         1.27   -0.06  0.03   0.04   
1 1 1 55 14 11 f 5.9110  0.3849 ?       ?         -1.94  2.35   0.09   -0.12  
1 1 1 55 14 12 o 2.9853  0.7968 ?       ?         -0.15  0.48   -0.00  -0.00  
1 1 1 55 14 13 o 2.7676  1.1983 ?       ?         0.58   0.55   -0.00  0.00   
1 1 1 55 14 14 o 1.3784  1.2492 ?       ?         -0.13  -0.62  0.00   0.00   
1 1 1 55 15 0  o 6.1725  0.4094 7.4051  180.000   -0.88  0.00   0.00   0.00   
1 1 1 55 15 1  o 4.1380  0.3955 3.6457  -36.5000  -0.04  0.38   -0.01  -0.01  
1 1 1 55 15 2  o 1.4470  0.6887 0.7965  -136.6000 -0.31  0.49   -0.01  -0.07  
1 1 1 55 15 3  o 2.9856  0.4962 2.2726  94.100    -0.11  0.16   -0.00  -0.00  
1 1 1 55 15 4  o 4.1097  0.3704 ?       ?         0.17   -0.26  -0.00  -0.01  
1 1 1 55 15 5  o 8.3047  0.2286 ?       ?         0.69   1.66   -0.11  0.02   
1 1 1 55 15 6  o 4.6144  0.3798 ?       ?         0.49   1.14   0.01   0.07   
1 1 1 55 15 7  o 3.5532  0.5345 ?       ?         -0.05  -0.86  -0.00  0.03   
1 1 1 55 15 8  o 3.9755  0.4720 ?       ?         1.00   0.25   0.02   0.02   
1 1 1 55 15 9  o 0.9395  0.8302 ?       ?         0.06   0.04   -0.00  0.00   
1 1 1 55 15 10 o 0.0000  1.6504 ?       ?         0.07   -0.26  -0.01  -0.00  
1 1 1 55 15 11 o 2.2503  1.0226 ?       ?         0.62   0.07   0.01   0.01   
1 1 1 55 15 12 o 2.5298  1.0847 ?       ?         -0.64  -0.51  0.00   0.00   
1 1 1 55 15 13 o 3.3317  0.9490 ?       ?         -0.76  -0.89  0.00   0.00   
1 1 1 55 16 0  o 8.9331  0.3082 8.4464  180.000   -1.08  0.00   0.00   0.00   
1 1 1 55 16 1  o 7.8349  0.2348 7.8394  162.100   -1.66  1.35   0.21   -0.09  
1 1 1 55 16 2  o 1.6825  0.8066 1.5670  142.300   -0.47  0.33   0.05   -0.00  
1 1 1 55 16 3  o 2.0253  0.9499 ?       ?         0.23   -0.26  0.01   -0.01  
1 1 1 55 16 4  o 2.1632  0.6168 ?       ?         0.05   -0.46  -0.01  -0.02  
1 1 1 55 16 5  o 3.6282  0.8311 ?       ?         0.72   0.07   -0.00  -0.02  
1 1 1 55 16 6  o 4.6870  0.3759 ?       ?         -0.04  0.97   -0.02  0.03   
1 1 1 55 16 7  o 3.7883  0.5373 ?       ?         0.03   0.77   -0.01  0.01   
1 1 1 55 16 8  o 1.1675  0.9031 ?       ?         0.35   0.26   0.00   0.01   
1 1 1 55 16 9  o 2.3664  1.1690 ?       ?         0.30   -0.50  0.00   -0.01  
1 1 1 55 16 10 o 3.1465  0.7087 ?       ?         0.28   0.11   0.00   0.00   
1 1 1 55 16 11 o 3.6606  0.8033 ?       ?         -0.36  -0.34  -0.00  0.00   
1 1 1 55 16 12 o 2.4083  1.0969 ?       ?         -0.10  0.35   0.00   0.00   
1 1 1 55 16 13 o 0.0000  2.8107 ?       ?         -0.18  0.02   0.00   0.00   
1 1 1 55 17 0  o 4.1952  0.5070 4.3938  -0.0000   -0.22  0.00   0.00   0.00   
1 1 1 55 17 1  o 5.5597  0.3205 ?       ?         0.59   1.05   0.04   0.06   
1 1 1 55 17 2  o 1.3876  0.7786 ?       ?         -0.28  -0.35  0.02   0.02   
1 1 1 55 17 3  o 4.1967  0.4282 ?       ?         -1.55  1.50   -0.17  -0.03  
1 1 1 55 17 4  o 0.5514  0.7637 ?       ?         -0.04  -0.31  -0.01  -0.01  
1 1 1 55 17 5  o 4.7538  0.4669 ?       ?         -0.06  0.10   0.00   -0.00  
1 1 1 55 17 6  f 2.4064  0.7504 ?       ?         -0.07  0.09   0.00   -0.00  
1 1 1 55 17 7  o 1.8755  0.8818 ?       ?         0.16   -0.90  -0.02  -0.02  
1 1 1 55 17 8  o 1.6098  1.1468 ?       ?         -0.08  -0.06  0.00   0.00   
1 1 1 55 17 9  o 2.8634  1.2904 ?       ?         -0.26  -0.63  -0.00  0.00   
1 1 1 55 17 10 o 3.7190  1.1812 ?       ?         0.70   0.20   0.00   -0.00  
1 1 1 55 17 11 o 1.9748  1.1252 ?       ?         -0.30  -0.30  0.00   0.00   
1 1 1 55 17 12 o 4.0743  0.7804 ?       ?         -0.20  0.48   0.00   0.00   
1 1 1 55 17 13 o 2.3238  1.5239 ?       ?         -0.39  -0.72  0.00   0.00   
1 1 1 55 18 0  o 0.0000  2.5690 ?       ?         0.10   0.00   0.00   0.00   
1 1 1 55 18 1  o 3.7886  0.5492 ?       ?         0.40   0.97   -0.03  -0.01  
1 1 1 55 18 2  o 2.7590  0.8375 ?       ?         0.22   0.01   0.00   0.00   
1 1 1 55 18 3  o 3.8540  0.6898 ?       ?         0.04   0.16   0.00   0.00   
1 1 1 55 18 4  o 5.3120  0.6912 ?       ?         -0.12  0.84   -0.00  -0.01  
1 1 1 55 18 5  o 2.7418  0.9344 ?       ?         0.57   0.02   0.01   -0.00  
1 1 1 55 18 6  o 8.0764  0.4590 ?       ?         0.02   3.25   -0.07  -0.04  
1 1 1 55 18 7  o 3.7368  0.7036 ?       ?         0.58   0.61   -0.01  0.01   
1 1 1 55 18 8  o 2.9908  1.3781 ?       ?         -0.68  0.30   0.00   -0.01  
1 1 1 55 18 9  o 3.6318  1.0199 ?       ?         -0.94  -0.86  0.00   0.00   
1 1 1 55 18 10 o 3.6459  1.3003 ?       ?         -0.55  0.30   -0.00  0.00   
1 1 1 55 18 11 o 4.0125  0.7278 ?       ?         0.47   -1.69  0.00   0.00   
1 1 1 55 18 12 o 3.7683  0.7505 ?       ?         -1.17  -0.49  0.00   0.00   
1 1 1 55 19 0  o 0.0000  3.1937 ?       ?         0.05   0.00   0.00   0.00   
1 1 1 55 19 1  o 0.0000  2.1722 ?       ?         0.28   -0.43  -0.02  -0.01  
1 1 1 55 19 2  o 2.6628  0.9239 ?       ?         -0.26  -0.44  -0.01  0.00   
1 1 1 55 19 3  o 6.4908  0.4695 ?       ?         1.22   3.11   -0.13  0.11   
1 1 1 55 19 4  o 2.0453  0.8697 ?       ?         0.07   0.11   -0.00  0.00   
1 1 1 55 19 5  o 2.7253  0.9287 ?       ?         0.50   -0.46  0.00   -0.01  
1 1 1 55 19 6  o 2.2066  1.0844 ?       ?         0.24   0.10   0.00   0.00   
1 1 1 55 19 7  o 1.6405  1.2406 ?       ?         0.06   0.50   -0.00  0.00   
1 1 1 55 19 8  o 3.7862  0.9522 ?       ?         -0.68  -0.40  0.00   0.00   
1 1 1 55 19 9  o 1.6478  1.6365 ?       ?         0.08   -0.33  -0.00  0.00   
1 1 1 55 19 10 f 2.7790  1.6723 ?       ?         0.06   -0.73  0.00   -0.00  
1 1 1 55 19 11 o 5.9245  0.5110 ?       ?         0.54   0.72   0.00   0.00   
1 1 1 55 20 0  o 3.4496  1.0737 ?       ?         0.18   0.00   0.00   0.00   
1 1 1 55 20 1  o 5.3088  0.5519 ?       ?         0.55   -0.29  -0.00  -0.00  
1 1 1 55 20 2  f 1.9963  1.0165 ?       ?         0.62   0.39   0.03   0.01   
1 1 1 55 20 3  o 1.9301  0.9716 ?       ?         -0.23  0.44   -0.00  -0.01  
1 1 1 55 20 4  o 0.0000  2.1660 ?       ?         -0.25  0.04   0.00   -0.00  
1 1 1 55 20 5  o 3.6350  0.7874 ?       ?         -0.09  1.04   -0.01  -0.00  
1 1 1 55 20 6  o 4.2162  1.9372 ?       ?         -1.32  -0.51  -0.01  0.02   
1 1 1 55 20 7  o 2.3310  1.2815 ?       ?         -0.14  0.21   -0.00  -0.00  
1 1 1 55 20 8  o 2.4736  1.5270 ?       ?         -0.03  0.54   0.00   0.00   
1 1 1 55 20 9  f 0.0000  3.9497 ?       ?         -0.68  -0.03  0.00   0.00   
1 1 1 55 20 10 o 3.4785  1.9229 ?       ?         -0.17  0.13   0.00   0.00   
1 1 1 55 21 0  o 4.9497  0.7697 ?       ?         -0.12  0.00   0.00   0.00   
1 1 1 55 21 1  o 2.5873  1.2643 ?       ?         0.28   -0.53  0.00   -0.01  
1 1 1 55 21 2  o 5.8576  0.5801 ?       ?         1.43   -0.29  0.02   0.00   
1 1 1 55 21 3  o 1.0791  1.0885 ?       ?         0.67   -0.58  -0.01  -0.03  
1 1 1 55 21 4  o 2.8826  0.8419 ?       ?         0.31   -0.03  0.00   -0.00  
1 1 1 55 21 5  o 1.5014  1.2607 ?       ?         -0.17  -0.01  0.00   0.00   
1 1 1 55 21 6  o 2.1436  1.2545 ?       ?         -0.30  -0.14  0.00   0.00   
1 1 1 55 21 7  f 5.5491  0.9476 ?       ?         -0.67  1.38   0.00   0.01   
1 1 1 55 21 8  o 8.2052  1.5224 ?       ?         -1.33  -0.88  -0.01  -0.01  
1 1 1 55 21 9  o 3.9115  1.7931 ?       ?         0.11   0.19   0.00   0.00   
1 1 1 55 22 0  o 3.4785  1.0444 ?       ?         0.26   0.00   0.00   0.00   
1 1 1 55 22 1  o 3.2112  0.8275 ?       ?         0.18   -0.41  -0.00  -0.00  
1 1 1 55 22 2  o 4.1094  1.5270 ?       ?         -0.57  0.16   0.00   0.00   
1 1 1 55 22 3  o 1.6684  1.1665 ?       ?         0.29   0.40   -0.00  0.00   
1 1 1 55 22 4  o 4.1648  1.9895 ?       ?         -0.62  0.74   0.01   -0.01  
1 1 1 55 22 5  o 5.4721  0.8409 ?       ?         -0.61  0.58   0.00   0.00   
1 1 1 55 22 6  o 3.9882  1.3055 ?       ?         1.05   -1.68  0.01   0.02   
1 1 1 55 22 7  o 4.4706  1.2543 ?       ?         -0.49  -0.93  0.00   -0.01  
1 1 1 55 22 8  o 0.0000  4.4609 ?       ?         -0.18  -0.27  0.00   0.00   
1 1 1 55 23 0  o 6.9354  0.9384 ?       ?         -1.48  0.00   0.00   0.00   
1 1 1 55 23 1  o 5.5362  0.6919 ?       ?         -1.62  -0.49  0.01   -0.01  
1 1 1 55 23 2  o 1.7550  1.2146 ?       ?         0.35   0.47   -0.00  0.00   
1 1 1 55 23 3  o 3.0439  0.9350 ?       ?         -0.60  -0.76  0.00   0.01   
1 1 1 55 23 4  o 0.2313  0.8309 ?       ?         0.18   0.88   -0.01  0.00   
1 1 1 55 23 5  o 3.4487  1.6816 ?       ?         0.09   0.77   0.00   0.00   
1 1 1 55 23 6  o 4.2670  1.4604 ?       ?         -0.59  0.54   -0.00  0.00   
1 1 1 55 23 7  o 2.7399  1.6146 ?       ?         -0.83  -0.04  -0.00  0.00   
1 1 1 55 24 0  o 4.4272  1.2121 ?       ?         -0.36  0.00   0.00   0.00   
1 1 1 55 24 1  o 4.7334  0.8313 ?       ?         -0.90  0.28   0.00   0.00   
1 1 1 55 24 2  o 2.1513  1.5252 ?       ?         -0.77  0.33   0.00   0.00   
1 1 1 55 24 3  f 0.0000  3.0794 ?       ?         -0.07  -0.06  -0.00  0.00   
1 1 1 55 24 4  o 3.1372  1.4992 ?       ?         -0.21  -0.39  0.00   -0.00  
1 1 1 55 24 5  f 2.6639  1.5332 ?       ?         -0.80  0.44   -0.00  0.00   
1 1 1 55 24 6  o 2.4107  1.5211 ?       ?         0.25   0.16   0.00   0.00   
1 1 1 55 24 7  o 0.0000  4.7011 ?       ?         0.02   0.01   0.00   0.00   
1 1 1 55 25 0  o 3.1623  1.7724 ?       ?         0.13   0.00   0.00   0.00   
1 1 1 55 25 1  o 3.2925  1.3717 ?       ?         0.41   0.95   0.00   -0.00  
1 1 1 55 25 2  o 4.7861  1.1242 ?       ?         -0.85  0.58   -0.00  0.01   
1 1 1 55 25 3  o 2.6445  1.2714 ?       ?         -1.15  0.37   0.00   0.00   
1 1 1 55 25 4  o 6.2306  1.0092 ?       ?         -0.29  -0.33  -0.00  -0.00  
1 1 1 55 25 5  f 0.0000  3.2204 ?       ?         -0.26  0.56   -0.00  -0.00  
1 1 1 55 26 0  o 5.1478  1.4056 ?       ?         0.34   0.00   0.00   0.00   
1 1 1 55 26 1  o 2.7534  1.5591 ?       ?         -0.51  0.50   -0.00  0.00   
1 1 1 55 26 2  f 2.1181  1.5395 ?       ?         0.40   0.18   -0.00  0.00   
1 1 1 55 26 3  o 1.7874  1.5682 ?       ?         0.63   0.16   -0.00  0.00   
1 1 1 55 26 4  o 0.0000  4.6797 ?       ?         -0.12  0.15   0.00   0.00   
1 1 1 56 0  0  o 10.904  0.3851 8.5522  -0.0000   -0.22  0.00   0.00   0.00   
1 1 1 56 0  1  o 11.811  0.2568 10.148  135.000   -0.42  0.42   0.00   0.00   
1 1 1 56 0  2  o 5.7359  0.4287 4.8656  90.000    0.00   0.30   0.00   0.00   
1 1 1 56 0  3  o 2.6458  0.7540 0.2807  45.000    -0.27  -0.27  0.00   0.00   
1 1 1 56 0  4  o 2.8461  0.7228 4.0491  0.0000    0.13   0.00   0.00   0.00   
1 1 1 56 0  5  o 0.0000  2.3238 0.9759  135.000   -0.11  0.11   0.00   0.00   
1 1 1 56 0  6  o 2.3664  0.8112 1.1787  90.000    0.00   0.09   0.00   0.00   
1 1 1 56 0  7  o 2.5884  0.8071 ?       ?         0.14   0.14   0.00   0.00   
1 1 1 56 0  8  o 0.0000  2.4083 ?       ?         -0.19  0.00   0.00   0.00   
1 1 1 56 0  9  o 1.8974  1.0009 ?       ?         -0.21  0.21   0.00   0.00   
1 1 1 56 0  10 o 3.7683  0.6096 ?       ?         0.00   0.23   0.00   0.00   
1 1 1 56 0  11 o 0.0000  2.3022 ?       ?         0.05   0.05   0.00   0.00   
1 1 1 56 0  12 o 1.4832  0.9727 ?       ?         -0.22  0.00   0.00   0.00   
1 1 1 56 0  13 o 0.4472  1.0792 ?       ?         0.18   -0.18  0.00   0.00   
1 1 1 56 0  14 o 2.0000  0.8046 ?       ?         -0.00  -0.26  0.00   0.00   
1 1 1 56 1  0  o 6.0828  0.4146 5.7941  -0.0000   -0.15  0.00   0.00   0.00   
1 1 1 56 1  1  o 6.3864  0.5232 5.4378  11.200    1.56   -1.90  -0.17  0.10   
1 1 1 56 1  2  o 3.2221  0.6220 3.8607  -112.5000 -0.01  -1.16  0.02   0.09   
1 1 1 56 1  3  o 6.6008  0.2869 5.7178  94.300    -0.48  0.78   -0.02  -0.06  
1 1 1 56 1  4  o 2.4951  0.5709 3.2832  13.500    0.52   -0.19  0.02   -0.03  
1 1 1 56 1  5  o 2.7527  0.6254 2.0673  98.500    -0.02  0.12   0.00   -0.00  
1 1 1 56 1  6  o 3.3528  0.5332 3.3672  3.5000    0.74   -0.05  0.02   0.03   
1 1 1 56 1  7  o 6.5133  0.3103 ?       ?         0.53   1.00   -0.04  0.02   
1 1 1 56 1  8  o 1.9911  0.9400 ?       ?         -0.33  -0.33  -0.02  0.02   
1 1 1 56 1  9  o 2.5237  1.1636 ?       ?         0.37   0.04   -0.00  0.01   
1 1 1 56 1  10 f 4.6532  0.3863 ?       ?         0.98   1.41   -0.09  0.02   
1 1 1 56 1  11 o 4.2022  0.7143 ?       ?         -0.34  2.44   0.04   -0.11  
1 1 1 56 1  12 o 2.0523  0.6677 ?       ?         0.17   -0.14  0.00   -0.00  
1 1 1 56 1  13 o 1.9830  0.7434 ?       ?         -0.57  0.49   -0.00  -0.01  
1 1 1 56 1  14 o 2.5395  0.7554 ?       ?         -0.42  -0.94  -0.02  -0.00  
1 1 1 56 2  0  o 0.0000  2.1909 0.9830  0.0000    0.03   0.00   0.00   0.00   
1 1 1 56 2  1  o 2.2915  0.5677 2.8051  44.100    0.15   0.23   -0.01  0.01   
1 1 1 56 2  2  o 2.3775  0.5889 1.4983  -164.8000 -0.24  0.26   0.01   -0.01  
1 1 1 56 2  3  o 5.5460  0.6970 5.1858  152.200   -2.18  0.24   -0.07  -0.09  
1 1 1 56 2  4  o 3.1878  0.4932 2.3855  -75.7000  -0.07  -0.63  -0.03  0.02   
1 1 1 56 2  5  o 6.2125  0.2932 6.7115  3.2000    1.02   -0.30  -0.00  -0.07  
1 1 1 56 2  6  o 7.0719  0.2882 6.7910  -6.8000   1.58   -0.99  0.17   -0.01  
1 1 1 56 2  7  o 3.9893  0.4938 ?       ?         -0.23  -0.18  0.00   0.00   
1 1 1 56 2  8  o 4.5616  0.4138 ?       ?         -0.57  1.55   -0.12  -0.04  
1 1 1 56 2  9  o 4.8173  0.9845 ?       ?         -1.52  1.09   0.04   0.03   
1 1 1 56 2  10 o 4.6241  0.3755 ?       ?         0.18   0.63   -0.00  0.01   
1 1 1 56 2  11 o 0.0000  1.5883 ?       ?         0.10   -0.41  -0.02  -0.01  
1 1 1 56 2  12 o 0.6629  0.8176 ?       ?         -0.06  -0.23  -0.00  0.00   
1 1 1 56 2  13 o 2.9529  0.5600 ?       ?         -0.42  0.11   0.00   -0.00  
1 1 1 56 2  14 o 1.9396  0.9834 ?       ?         -0.20  -0.27  -0.00  0.00   
1 1 1 56 3  0  o 3.4496  0.5974 2.4358  -0.0000   -0.39  0.00   0.00   0.00   
1 1 1 56 3  1  o 2.5719  0.5403 1.6863  62.000    0.61   -0.29  0.07   -0.01  
1 1 1 56 3  2  o 1.2503  0.7254 1.8188  -79.6000  0.15   -0.14  -0.00  -0.01  
1 1 1 56 3  3  o 4.2534  0.4202 4.0212  -71.7000  0.54   -0.30  -0.02  -0.01  
1 1 1 56 3  4  o 3.2815  0.5956 2.2694  164.800   0.52   -0.18  0.01   0.02   
1 1 1 56 3  5  o 4.2795  0.4161 3.8634  -101.6000 -0.20  -0.24  -0.01  0.00   
1 1 1 56 3  6  o 3.4784  0.5160 2.5541  12.400    0.02   1.01   -0.06  -0.03  
1 1 1 56 3  7  o 3.2329  0.5074 ?       ?         0.78   0.13   0.02   0.03   
1 1 1 56 3  8  o 3.4057  0.5272 ?       ?         0.24   -0.05  0.00   0.00   
1 1 1 56 3  9  o 2.5042  0.6416 ?       ?         0.15   0.08   0.00   0.00   
1 1 1 56 3  10 o 2.5491  1.1714 ?       ?         0.31   -0.15  -0.01  -0.00  
1 1 1 56 3  11 o 3.0798  0.4905 ?       ?         0.28   -0.42  -0.01  -0.00  
1 1 1 56 3  12 o 3.2013  1.4329 ?       ?         -0.49  -0.17  0.01   -0.01  
1 1 1 56 3  13 o 2.2189  1.0601 ?       ?         -0.92  0.09   0.01   -0.01  
1 1 1 56 3  14 o 1.0582  0.9981 ?       ?         0.01   -0.12  -0.00  0.00   
1 1 1 56 4  0  o 9.4340  0.2929 9.4436  0.0000    0.51   0.00   0.00   0.00   
1 1 1 56 4  1  f 6.0151  0.2960 5.5012  -10.5000  0.02   1.12   -0.10  0.02   
1 1 1 56 4  2  o 4.7012  0.3665 4.4147  133.600   -0.41  -0.77  -0.00  0.06   
1 1 1 56 4  3  o 4.3198  0.3928 4.4231  47.700    0.20   0.72   -0.02  0.04   
1 1 1 56 4  4  o 3.0902  0.5197 2.4465  91.100    -0.79  0.01   0.05   0.02   
1 1 1 56 4  5  o 1.2120  0.8121 0.4916  -75.0000  0.07   -0.24  -0.00  -0.01  
1 1 1 56 4  6  o 4.2822  0.4228 ?       ?         0.14   -0.11  -0.00  -0.00  
1 1 1 56 4  7  o 7.0840  0.2944 ?       ?         0.78   0.29   0.01   0.02   
1 1 1 56 4  8  o 5.4752  0.3661 ?       ?         0.98   -0.31  0.03   -0.03  
1 1 1 56 4  9  o 2.3339  0.6673 ?       ?         0.27   -0.73  -0.02  -0.02  
1 1 1 56 4  10 o 1.9532  0.6275 ?       ?         -0.02  0.03   -0.00  -0.00  
1 1 1 56 4  11 o 4.6732  0.3555 ?       ?         1.35   -0.21  0.04   0.02   
1 1 1 56 4  12 o 3.8062  0.5039 ?       ?         0.49   -0.04  0.01   0.00   
1 1 1 56 4  13 f 1.2289  0.9004 ?       ?         0.20   0.22   -0.00  0.00   
1 1 1 56 4  14 o 2.5594  0.8277 ?       ?         0.41   0.13   0.00   0.00   
1 1 1 56 5  0  o 6.5879  0.3729 6.5486  180.000   0.49   0.00   0.00   0.00   
1 1 1 56 5  1  o 5.9468  0.2969 4.9065  44.900    0.48   2.61   -0.02  0.41   
1 1 1 56 5  2  o 3.6406  0.4335 4.2465  2.0000    0.51   -0.54  -0.01  -0.05  
1 1 1 56 5  3  o 5.0165  0.3313 4.4233  -116.9000 -0.27  0.54   -0.01  -0.03  
1 1 1 56 5  4  o 5.1463  0.6322 4.4155  13.100    1.21   0.94   -0.07  -0.00  
1 1 1 56 5  5  o 6.6167  0.3011 6.1651  -20.7000  0.92   0.26   0.05   -0.00  
1 1 1 56 5  6  o 7.9172  0.2617 ?       ?         -2.21  -0.69  0.14   0.14   
1 1 1 56 5  7  o 7.0662  0.2887 ?       ?         -0.89  -1.34  -0.08  0.02   
1 1 1 56 5  8  o 4.2220  0.4291 ?       ?         -0.71  0.73   0.03   -0.03  
1 1 1 56 5  9  o 7.0993  0.3049 ?       ?         -1.59  -0.20  0.06   -0.01  
1 1 1 56 5  10 o 2.8396  0.5013 ?       ?         -0.31  -0.35  0.01   0.01   
1 1 1 56 5  11 o 2.3856  0.5641 ?       ?         0.90   -0.79  -0.02  -0.07  
1 1 1 56 5  12 o 2.6209  1.2001 ?       ?         0.33   0.37   0.01   0.00   
1 1 1 56 5  13 o 3.6678  0.6414 ?       ?         0.31   -0.83  -0.00  -0.00  
1 1 1 56 5  14 o 1.9573  0.7427 ?       ?         -0.08  0.47   -0.00  -0.00  
1 1 1 56 6  0  o 4.4385  0.4939 5.0660  -180.0000 -0.42  0.00   0.00   0.00   
1 1 1 56 6  1  f 3.2919  0.6221 3.5611  -62.0000  -0.23  0.30   0.01   -0.00  
1 1 1 56 6  2  o 4.3072  0.3831 4.9589  51.000    0.91   -0.12  0.06   0.02   
1 1 1 56 6  3  o 3.7816  0.4322 4.5124  34.000    1.79   0.18   0.14   0.19   
1 1 1 56 6  4  o 8.4416  0.3491 8.7583  -141.4000 -0.64  -0.38  0.02   -0.01  
1 1 1 56 6  5  o 5.7634  0.3292 5.8882  45.600    1.14   0.22   0.09   0.01   
1 1 1 56 6  6  o 1.3861  0.7966 ?       ?         0.00   -0.45  -0.02  0.01   
1 1 1 56 6  7  o 5.0133  0.3709 ?       ?         -0.39  0.07   0.01   0.00   
1 1 1 56 6  8  f 7.2827  0.2828 ?       ?         1.08   -1.20  -0.07  -0.06  
1 1 1 56 6  9  o 0.8321  0.8524 ?       ?         0.42   -0.06  0.02   0.01   
1 1 1 56 6  10 o 3.1006  0.6245 ?       ?         -0.67  0.08   0.01   0.02   
1 1 1 56 6  11 o 0.0000  1.6349 ?       ?         -0.65  -0.25  0.04   0.03   
1 1 1 56 6  12 o 3.0222  0.9757 ?       ?         0.27   0.08   0.00   -0.00  
1 1 1 56 6  13 o 1.1497  0.9822 ?       ?         0.26   0.28   -0.00  0.00   
1 1 1 56 6  14 o 0.4951  0.8806 ?       ?         0.50   -0.26  0.00   -0.00  
1 1 1 56 7  0  o 0.5477  0.9508 1.0635  180.000   0.15   0.00   0.00   0.00   
1 1 1 56 7  1  o 4.0469  0.3967 1.7114  -73.6000  -0.76  0.26   0.01   -0.05  
1 1 1 56 7  2  o 2.7092  0.5474 3.0860  178.900   -0.38  0.37   -0.02  -0.02  
1 1 1 56 7  3  o 4.4856  0.4774 5.1431  -115.0000 0.00   -0.15  -0.00  -0.00  
1 1 1 56 7  4  o 3.3775  0.4652 3.5114  131.500   -0.16  0.63   -0.03  0.01   
1 1 1 56 7  5  o 3.6385  0.4753 2.5413  -65.5000  0.21   1.07   -0.04  0.07   
1 1 1 56 7  6  o 4.9017  0.5471 ?       ?         -0.23  0.13   0.00   0.00   
1 1 1 56 7  7  o 1.7399  0.8360 ?       ?         -0.62  0.20   0.04   0.03   
1 1 1 56 7  8  o 2.1811  1.0244 ?       ?         0.11   -0.25  -0.01  0.00   
1 1 1 56 7  9  o 5.7675  0.3343 ?       ?         -1.89  -1.10  0.05   0.13   
1 1 1 56 7  10 o 4.3431  0.3518 ?       ?         -1.20  -1.19  -0.09  0.07   
1 1 1 56 7  11 o 3.0395  1.3714 ?       ?         0.13   -0.33  0.00   -0.00  
1 1 1 56 7  12 o 4.0716  0.6961 ?       ?         -0.62  -0.02  0.00   -0.01  
1 1 1 56 7  13 o 2.3661  1.1804 ?       ?         -0.43  -0.61  -0.01  0.00   
1 1 1 56 7  14 o 0.6729  0.9446 ?       ?         -0.13  0.97   -0.01  -0.01  
1 1 1 56 8  0  o 3.0659  0.6363 3.5614  180.000   0.11   0.00   0.00   0.00   
1 1 1 56 8  1  o 6.8957  0.2644 5.0511  -116.3000 0.75   -2.07  -0.28  -0.25  
1 1 1 56 8  2  o 4.3580  0.3940 2.5931  92.300    0.32   1.14   0.03   0.07   
1 1 1 56 8  3  o 3.9593  0.4102 4.0221  82.100    0.09   -0.24  0.00   -0.00  
1 1 1 56 8  4  o 2.3527  0.5932 1.8815  118.200   0.01   0.39   -0.02  0.00   
1 1 1 56 8  5  o 4.1936  0.4253 4.0406  169.300   -0.39  1.02   -0.03  -0.08  
1 1 1 56 8  6  o 0.0000  1.7029 ?       ?         -0.11  -0.26  -0.00  0.02   
1 1 1 56 8  7  o 2.7281  1.2477 ?       ?         0.50   0.19   -0.01  0.01   
1 1 1 56 8  8  o 2.6358  1.2069 ?       ?         0.03   0.14   0.00   0.00   
1 1 1 56 8  9  o 1.6221  0.7672 ?       ?         0.29   0.65   -0.01  0.05   
1 1 1 56 8  10 o 1.3418  0.7974 ?       ?         -0.22  0.13   -0.00  -0.00  
1 1 1 56 8  11 o 1.6181  0.7932 ?       ?         -0.34  0.08   0.00   -0.01  
1 1 1 56 8  12 o 1.3933  0.9637 ?       ?         -0.28  0.28   0.00   -0.01  
1 1 1 56 8  13 o 3.7037  1.7991 ?       ?         -0.45  -0.60  -0.01  -0.01  
1 1 1 56 8  14 o 1.7266  0.8468 ?       ?         -0.99  -0.55  0.00   0.02   
1 1 1 56 9  0  o 5.1672  0.4522 5.2081  -0.0000   0.45   0.00   0.00   0.00   
1 1 1 56 9  1  o 9.0345  0.2185 8.2368  -178.9000 -2.85  -0.84  0.53   0.15   
1 1 1 56 9  2  o 3.8159  0.4315 4.5908  -145.0000 -0.91  -0.50  0.07   0.03   
1 1 1 56 9  3  o 2.0163  0.6809 3.1461  -17.2000  -0.27  -0.19  -0.01  0.01   
1 1 1 56 9  4  f 4.6530  0.3789 4.1899  -165.5000 -0.78  -0.21  0.04   0.03   
1 1 1 56 9  5  o 4.0574  0.4211 ?       ?         -0.07  0.91   -0.02  -0.03  
1 1 1 56 9  6  o 2.6167  0.5670 ?       ?         0.37   -0.48  0.00   -0.03  
1 1 1 56 9  7  o 4.4166  0.4160 ?       ?         -0.31  0.36   -0.00  -0.01  
1 1 1 56 9  8  o 2.4510  0.5559 ?       ?         0.33   -0.37  -0.00  -0.01  
1 1 1 56 9  9  o 1.7525  0.6669 ?       ?         0.60   0.49   0.02   0.05   
1 1 1 56 9  10 o 4.5808  0.4026 ?       ?         0.67   2.11   -0.11  0.04   
1 1 1 56 9  11 o 0.9469  0.8297 ?       ?         -0.30  0.21   0.01   -0.01  
1 1 1 56 9  12 o 0.4961  0.8179 ?       ?         0.40   0.23   -0.00  0.01   
1 1 1 56 9  13 o 0.9426  0.9268 ?       ?         0.37   0.30   -0.00  0.01   
1 1 1 56 9  14 o 0.0000  2.8983 ?       ?         0.14   -0.06  0.00   0.00   
1 1 1 56 10 0  o 0.0000  2.2136 1.4223  -0.0000   0.22   0.00   0.00   0.00   
1 1 1 56 10 1  o 0.3429  0.6798 1.1419  144.800   -0.14  0.22   -0.01  -0.02  
1 1 1 56 10 2  o 3.1754  0.4935 2.8023  -156.8000 -0.54  -0.09  0.01   -0.02  
1 1 1 56 10 3  o 3.3733  0.5001 3.4027  -163.1000 -0.64  0.37   0.03   0.01   
1 1 1 56 10 4  o 7.3446  0.3043 7.9675  -100.8000 0.53   -0.76  -0.04  0.00   
1 1 1 56 10 5  o 4.2753  0.3998 ?       ?         -0.48  -0.47  -0.01  0.02   
1 1 1 56 10 6  o 3.2143  0.5209 ?       ?         0.15   0.27   -0.00  0.00   
1 1 1 56 10 7  o 2.5477  0.5801 ?       ?         -0.03  -0.27  -0.01  -0.00  
1 1 1 56 10 8  o 2.9291  0.5513 ?       ?         -0.33  0.07   0.00   -0.00  
1 1 1 56 10 9  o 2.3528  1.0830 ?       ?         -0.41  0.11   0.00   -0.01  
1 1 1 56 10 10 o 4.6955  0.3916 ?       ?         2.99   0.73   0.19   0.11   
1 1 1 56 10 11 o 4.2614  0.9743 ?       ?         0.84   0.35   -0.01  0.01   
1 1 1 56 10 12 o 3.4916  1.3467 ?       ?         -0.31  0.83   0.02   -0.01  
1 1 1 56 10 13 o 2.8390  1.0017 ?       ?         -0.39  0.20   0.00   -0.00  
1 1 1 56 10 14 o 3.1305  1.0083 ?       ?         -0.24  -1.34  0.00   0.00   
1 1 1 56 11 0  o 4.4045  0.5241 5.3504  -180.0000 -0.45  0.00   0.00   0.00   
1 1 1 56 11 1  o 4.9511  0.4720 3.7842  139.300   0.55   -0.28  0.01   0.01   
1 1 1 56 11 2  o 3.6936  0.4342 3.0214  -178.0000 -0.58  0.09   -0.00  -0.02  
1 1 1 56 11 3  o 5.0107  0.3592 4.8593  -151.0000 -0.51  -0.08  0.02   0.00   
1 1 1 56 11 4  o 1.8937  0.6536 ?       ?         -0.23  -0.37  -0.01  0.02   
1 1 1 56 11 5  o 5.4648  0.3564 ?       ?         -1.80  -1.33  -0.06  0.19   
1 1 1 56 11 6  o 4.7743  0.3816 ?       ?         -0.20  0.79   -0.02  0.01   
1 1 1 56 11 7  o 2.9836  0.5686 ?       ?         0.37   0.95   0.01   0.05   
1 1 1 56 11 8  o 3.7888  0.4682 ?       ?         1.90   0.23   0.11   0.02   
1 1 1 56 11 9  o 3.1462  0.5670 ?       ?         0.45   0.48   0.01   0.01   
1 1 1 56 11 10 o 2.9725  0.5512 ?       ?         0.35   -0.35  0.01   -0.01  
1 1 1 56 11 11 o 1.2665  0.7960 ?       ?         -0.07  0.27   -0.00  -0.01  
1 1 1 56 11 12 o 1.5099  0.7135 ?       ?         0.14   0.07   0.00   0.00   
1 1 1 56 11 13 f 0.0000  2.8983 ?       ?         -0.00  0.14   0.00   0.00   
1 1 1 56 12 0  o 0.0000  2.2583 0.1398  180.000   0.12   0.00   0.00   0.00   
1 1 1 56 12 1  o 11.272  0.4632 11.435  120.600   4.12   5.73   -0.72  -0.47  
1 1 1 56 12 2  o 3.7659  0.4149 3.0606  61.900    -0.52  -0.50  0.01   0.04   
1 1 1 56 12 3  f 0.3348  0.6968 ?       ?         -0.58  -0.09  0.00   0.08   
1 1 1 56 12 4  o 1.8218  0.6735 ?       ?         -0.23  0.56   -0.02  -0.03  
1 1 1 56 12 5  o 3.0332  0.5290 ?       ?         -0.49  -0.11  0.01   0.01   
1 1 1 56 12 6  o 2.2044  0.6585 ?       ?         0.29   0.24   -0.01  0.01   
1 1 1 56 12 7  o 2.8882  1.3083 ?       ?         0.09   -0.29  -0.00  0.00   
1 1 1 56 12 8  o 1.7103  0.8496 ?       ?         -0.13  -0.04  0.00   -0.00  
1 1 1 56 12 9  o 4.5251  0.6022 ?       ?         -0.41  -1.36  0.01   0.04   
1 1 1 56 12 10 o 3.8955  0.6105 ?       ?         0.67   -0.54  0.02   0.00   
1 1 1 56 12 11 o 2.0142  0.9562 ?       ?         0.15   -0.05  0.00   0.00   
1 1 1 56 12 12 o 2.2250  1.1282 ?       ?         -0.26  -0.38  -0.00  0.00   
1 1 1 56 12 13 o 4.9497  0.7846 ?       ?         0.52   -0.79  0.00   0.00   
1 1 1 56 13 0  f 8.0250  0.3518 8.0645  0.0000    0.81   0.00   0.00   0.00   
1 1 1 56 13 1  o 4.4948  0.3817 5.0041  56.800    0.72   -0.22  0.03   0.01   
1 1 1 56 13 2  o 2.7049  0.5447 ?       ?         0.27   0.61   -0.03  0.01   
1 1 1 56 13 3  o 0.2687  0.6553 ?       ?         -0.14  0.38   -0.03  -0.00  
1 1 1 56 13 4  o 3.8713  0.4377 ?       ?         0.34   0.06   0.00   -0.00  
1 1 1 56 13 5  o 3.5734  0.4767 ?       ?         0.39   -0.83  -0.03  -0.02  
1 1 1 56 13 6  o 6.1383  0.3891 ?       ?         0.23   1.64   -0.05  -0.06  
1 1 1 56 13 7  o 2.1678  0.6267 ?       ?         0.34   -0.12  0.01   -0.00  
1 1 1 56 13 8  o 3.8025  0.5024 ?       ?         -1.25  0.26   0.04   0.00   
1 1 1 56 13 9  o 3.0567  0.6373 ?       ?         -0.09  0.83   -0.01  -0.01  
1 1 1 56 13 10 o 2.4291  0.5615 ?       ?         -0.23  0.38   0.00   -0.01  
1 1 1 56 13 11 o 1.9788  0.7371 ?       ?         0.50   0.25   0.01   0.01   
1 1 1 56 13 12 o 3.9913  0.8002 ?       ?         -0.04  -0.16  0.00   -0.00  
1 1 1 56 13 13 o 0.0000  2.8636 ?       ?         -0.46  -0.29  0.00   0.00   
1 1 1 56 14 0  o 4.3474  0.5476 ?       ?         -1.10  0.00   0.00   0.00   
1 1 1 56 14 1  o 2.0709  0.6321 ?       ?         -0.00  0.41   -0.02  -0.00  
1 1 1 56 14 2  o 0.9876  0.7873 ?       ?         0.24   -0.13  0.00   -0.01  
1 1 1 56 14 3  o 3.0265  0.4910 ?       ?         0.71   0.32   0.00   0.04   
1 1 1 56 14 4  o 4.6142  0.3865 ?       ?         -0.52  -0.21  0.01   -0.00  
1 1 1 56 14 5  o 5.9988  0.3152 ?       ?         1.87   -1.44  0.01   -0.24  
1 1 1 56 14 6  o 1.2667  0.8300 ?       ?         -0.08  -0.54  -0.02  -0.01  
1 1 1 56 14 7  o 3.7541  0.4982 ?       ?         0.16   0.98   -0.02  0.02   
1 1 1 56 14 8  o 4.8892  0.4306 ?       ?         0.76   -0.15  0.01   0.00   
1 1 1 56 14 9  o 2.8761  0.7507 ?       ?         -0.28  -0.43  0.00   0.00   
1 1 1 56 14 10 o 3.1812  1.5071 ?       ?         -0.42  0.36   0.01   0.00   
1 1 1 56 14 11 o 3.0667  1.3312 ?       ?         -0.33  0.04   0.00   0.00   
1 1 1 56 14 12 o 2.4083  1.0785 ?       ?         0.33   0.34   0.00   0.00   
1 1 1 56 14 13 o 1.1402  1.2686 ?       ?         -0.79  0.61   0.00   0.00   
1 1 1 56 15 0  o 0.0000  2.3022 ?       ?         0.01   0.00   0.00   0.00   
1 1 1 56 15 1  o 2.4586  0.5922 ?       ?         0.24   0.21   -0.01  0.01   
1 1 1 56 15 2  o 2.3730  1.1035 ?       ?         0.07   -0.52  0.01   -0.02  
1 1 1 56 15 3  o 1.8504  0.6697 ?       ?         0.39   0.04   0.01   0.01   
1 1 1 56 15 4  o 2.8492  0.5166 ?       ?         0.80   0.60   -0.01  0.06   
1 1 1 56 15 5  o 4.2436  0.3965 ?       ?         -0.21  1.85   -0.06  0.11   
1 1 1 56 15 6  o 0.0000  1.7392 ?       ?         0.17   -0.14  -0.00  -0.01  
1 1 1 56 15 7  o 4.2828  0.5377 ?       ?         0.39   -0.49  -0.01  -0.00  
1 1 1 56 15 8  o 2.1588  1.0927 ?       ?         0.13   -0.11  0.00   -0.00  
1 1 1 56 15 9  o 5.1332  0.5345 ?       ?         -0.61  0.46   -0.00  -0.00  
1 1 1 56 15 10 f 5.9496  2.3325 ?       ?         -1.51  -1.10  -0.01  -0.02  
1 1 1 56 15 11 o 2.0736  1.0013 ?       ?         -0.37  0.06   0.00   0.00   
1 1 1 56 15 12 o 1.0954  1.2685 ?       ?         -0.47  -0.07  0.00   0.00   
1 1 1 56 15 13 o 5.1186  0.7729 ?       ?         -1.20  -1.40  0.00   0.00   
1 1 1 56 16 0  o 1.0488  0.9817 ?       ?         -0.16  0.00   0.00   0.00   
1 1 1 56 16 1  o 1.0157  0.8110 ?       ?         0.16   -0.26  -0.01  -0.01  
1 1 1 56 16 2  o 0.9495  0.7339 ?       ?         0.27   -0.00  0.01   -0.00  
1 1 1 56 16 3  o 2.7875  1.0624 ?       ?         0.13   0.09   0.00   -0.00  
1 1 1 56 16 4  f 4.8360  0.4449 ?       ?         0.10   -1.48  -0.05  0.02   
1 1 1 56 16 5  o 2.3364  1.0754 ?       ?         0.13   0.28   -0.00  0.00   
1 1 1 56 16 6  o 3.0005  0.7876 ?       ?         0.81   -0.23  0.01   -0.01  
1 1 1 56 16 7  o 2.6025  1.2814 ?       ?         -0.08  0.78   -0.01  0.01   
1 1 1 56 16 8  o 4.6643  1.2563 ?       ?         0.65   -0.58  0.01   0.00   
1 1 1 56 16 9  o 4.9218  0.8098 ?       ?         0.94   0.65   -0.00  0.00   
1 1 1 56 16 10 o 4.2707  1.3470 ?       ?         -1.07  0.79   -0.00  0.01   
1 1 1 56 16 11 o 2.5690  1.1918 ?       ?         -0.32  -0.56  0.00   0.00   
1 1 1 56 16 12 o 1.7321  1.2081 ?       ?         -0.09  -0.22  0.00   0.00   
1 1 1 56 17 0  o 2.7568  1.0451 ?       ?         0.03   0.00   0.00   0.00   
1 1 1 56 17 1  o 3.4299  0.6728 ?       ?         -0.65  -0.10  0.01   0.01   
1 1 1 56 17 2  o 2.9701  0.7050 ?       ?         0.38   -1.74  -0.09  -0.02  
1 1 1 56 17 3  o 2.6122  0.9376 ?       ?         -0.35  0.13   0.00   0.00   
1 1 1 56 17 4  o 3.9949  0.7322 ?       ?         0.81   0.47   0.00   0.01   
1 1 1 56 17 5  o 4.9381  0.6082 ?       ?         -0.63  1.22   -0.01  -0.01  
1 1 1 56 17 6  o 2.9533  1.3753 ?       ?         0.08   -0.77  -0.01  -0.01  
1 1 1 56 17 7  o 0.6004  1.0684 ?       ?         -0.23  -0.02  0.00   -0.00  
1 1 1 56 17 8  o 3.8559  1.3880 ?       ?         -0.65  -0.31  0.00   -0.00  
1 1 1 56 17 9  o 5.3876  1.0348 ?       ?         -0.39  -0.86  0.00   -0.00  
1 1 1 56 17 10 o 0.9487  1.9686 ?       ?         0.29   0.58   0.00   0.00   
1 1 1 56 17 11 o 1.9748  1.1436 ?       ?         -0.16  -1.04  0.00   0.00   
1 1 1 56 17 12 f 1.0954  1.2066 ?       ?         -0.18  0.00   0.00   0.00   
1 1 1 56 18 0  o 3.0331  1.1607 ?       ?         0.35   0.00   0.00   0.00   
1 1 1 56 18 1  o 2.3227  0.9249 ?       ?         -0.23  -0.32  -0.00  0.00   
1 1 1 56 18 2  o 2.6226  0.9067 ?       ?         0.32   0.30   -0.00  0.00   
1 1 1 56 18 3  o 2.1640  1.0003 ?       ?         0.55   -0.07  0.01   0.00   
1 1 1 56 18 4  o 3.8763  0.7527 ?       ?         -0.58  -1.11  -0.01  0.00   
1 1 1 56 18 5  o 0.0000  2.2328 ?       ?         0.09   0.56   -0.01  0.00   
1 1 1 56 18 6  o 0.0000  2.3543 ?       ?         -0.03  0.17   -0.00  -0.00  
1 1 1 56 18 7  o 1.8709  1.1337 ?       ?         -0.55  -0.84  -0.00  0.01   
1 1 1 56 18 8  o 3.4163  1.2347 ?       ?         -0.33  1.10   -0.00  -0.00  
1 1 1 56 18 9  o 4.3338  2.1153 ?       ?         0.35   0.89   0.00   -0.00  
1 1 1 56 18 10 o 1.7607  2.1507 ?       ?         -0.89  0.60   0.00   0.00   
1 1 1 56 19 0  o 2.6268  1.1986 ?       ?         -0.15  0.00   0.00   0.00   
1 1 1 56 19 1  o 2.4767  0.9047 ?       ?         -0.05  0.36   -0.00  -0.00  
1 1 1 56 19 2  o 2.6005  0.9424 ?       ?         -0.55  0.07   0.00   -0.00  
1 1 1 56 19 3  o 8.0430  1.2949 ?       ?         -2.22  -1.96  -0.05  0.01   
1 1 1 56 19 4  o 1.7161  1.0987 ?       ?         0.15   -0.50  -0.01  -0.00  
1 1 1 56 19 5  o 1.9277  1.1649 ?       ?         -0.17  -0.10  0.00   0.00   
1 1 1 56 19 6  f 4.1569  1.2201 ?       ?         -0.46  0.34   -0.00  -0.00  
1 1 1 56 19 7  o 4.1555  1.0294 ?       ?         -0.48  0.35   0.00   0.00   
1 1 1 56 19 8  f 0.0000  3.2264 ?       ?         0.27   -0.47  -0.00  -0.00  
1 1 1 56 19 9  o 2.8636  2.0862 ?       ?         0.47   0.17   0.00   0.00   
1 1 1 56 19 10 o 0.0000  4.9598 ?       ?         1.42   -0.31  0.00   0.00   
1 1 1 56 20 0  o 6.6633  0.7024 ?       ?         1.78   0.00   0.00   0.00   
1 1 1 56 20 1  o 4.0606  0.6939 ?       ?         1.35   0.45   -0.00  0.02   
1 1 1 56 20 2  o 0.1648  0.6918 ?       ?         -0.04  0.13   -0.00  -0.00  
1 1 1 56 20 3  o 1.6679  1.0010 ?       ?         -0.05  -0.09  -0.00  0.00   
1 1 1 56 20 4  o 5.7315  1.5757 ?       ?         -0.32  2.15   0.02   -0.03  
1 1 1 56 20 5  o 0.5691  1.0890 ?       ?         -0.52  0.51   0.00   -0.01  
1 1 1 56 20 6  o 5.8000  0.7953 ?       ?         0.32   0.92   0.00   -0.00  
1 1 1 56 20 7  o 3.6578  1.7299 ?       ?         -0.37  -0.10  -0.00  0.00   
1 1 1 56 20 8  o 4.6797  1.7523 ?       ?         -0.52  -0.49  0.00   0.00   
1 1 1 56 21 0  o 4.1593  0.8766 ?       ?         0.48   0.00   0.00   0.00   
1 1 1 56 21 1  o 5.6849  0.6774 ?       ?         -0.56  -0.33  0.00   0.00   
1 1 1 56 21 2  o 4.3208  0.8785 ?       ?         -0.43  1.18   -0.01  0.00   
1 1 1 56 21 3  o 1.0897  1.2124 ?       ?         -0.02  0.07   -0.00  -0.00  
1 1 1 56 21 4  o 2.6269  1.2234 ?       ?         -0.15  -0.14  0.00   0.00   
1 1 1 56 21 5  o 4.3339  0.9347 ?       ?         0.53   -0.60  0.00   0.00   
1 1 1 56 21 6  o 0.8705  1.3406 ?       ?         -0.05  0.35   -0.00  -0.00  
1 1 1 56 21 7  o 0.0000  4.8990 ?       ?         0.02   0.03   0.00   0.00   
1 1 1 56 22 0  o 2.7386  1.5196 ?       ?         0.02   0.00   0.00   0.00   
1 1 1 56 22 1  o 7.0315  0.6248 ?       ?         1.93   1.72   -0.02  0.01   
1 1 1 56 22 2  o 1.9362  1.2447 ?       ?         0.03   0.28   -0.00  0.00   
1 1 1 56 22 3  o 1.2581  1.1487 ?       ?         -0.16  0.80   -0.01  0.00   
1 1 1 56 22 4  o 0.0000  3.1668 ?       ?         0.22   0.87   0.00   -0.00  
1 1 1 56 22 5  f 4.1460  1.2591 ?       ?         0.06   -0.92  0.00   0.00   
1 1 1 56 22 6  o 5.1872  1.2242 ?       ?         -0.71  -0.40  -0.00  -0.00  
1 1 1 56 23 0  o 0.0000  4.3128 ?       ?         0.11   0.00   0.00   0.00   
1 1 1 56 23 1  o 0.4141  1.1808 ?       ?         0.49   -0.10  -0.00  0.00   
1 1 1 56 23 2  f 0.0000  3.1771 ?       ?         0.31   0.61   0.00   -0.00  
1 1 1 56 23 3  o 4.9547  1.0989 ?       ?         0.26   -0.42  0.00   0.00   
1 1 1 56 23 4  o 2.1172  1.3271 ?       ?         -0.31  0.58   0.00   -0.00  
1 1 1 56 23 5  o 4.4895  1.3232 ?       ?         1.64   0.65   0.00   -0.01  
1 1 1 56 23 6  o 2.1448  1.9282 ?       ?         0.27   0.57   0.00   0.00   
1 1 1 56 24 0  o 4.6690  1.5007 ?       ?         -0.55  0.00   0.00   0.00   
1 1 1 56 24 1  o 1.0693  1.4928 ?       ?         -0.16  -0.21  -0.00  -0.00  
1 1 1 56 24 2  o 2.2998  1.4840 ?       ?         0.21   -0.29  0.00   0.00   
1 1 1 56 24 3  o 3.9912  1.9132 ?       ?         -0.48  0.55   -0.00  0.00   
1 1 1 56 24 4  o 0.0000  3.1583 ?       ?         0.18   0.01   0.00   0.00   
1 1 1 56 24 5  o 3.9749  1.7310 ?       ?         0.44   -0.77  0.00   0.00   
1 1 1 56 25 0  o 3.0496  1.7495 ?       ?         0.45   0.00   0.00   0.00   
1 1 1 56 25 1  o 3.3847  1.1132 ?       ?         -0.51  0.46   0.00   0.00   
1 1 1 56 25 2  o 0.5314  1.2758 ?       ?         0.15   -1.01  0.00   -0.00  
1 1 1 56 25 3  o 2.1507  1.5316 ?       ?         -0.88  0.45   -0.00  0.00   
1 1 1 57 0  1  o 3.0659  0.6904 2.8105  -135.0000 0.04   0.04   0.00   0.00   
1 1 1 57 0  2  o 6.7897  0.3894 5.3766  -0.0000   -0.16  0.00   0.00   0.00   
1 1 1 57 0  3  o 2.8810  0.7066 3.1024  -45.0000  -0.01  0.01   0.00   0.00   
1 1 1 57 0  4  o 2.9155  0.7123 ?       ?         0.00   0.66   0.00   0.00   
1 1 1 57 0  5  o 0.9487  1.0632 ?       ?         0.14   0.14   0.00   0.00   
1 1 1 57 0  6  f 3.7014  0.6944 ?       ?         0.26   0.00   0.00   0.00   
1 1 1 57 0  7  o 0.8944  1.0627 ?       ?         -0.02  0.02   0.00   0.00   
1 1 1 57 0  8  o 5.7271  0.5111 ?       ?         0.00   0.53   0.00   0.00   
1 1 1 57 0  9  o 2.7203  0.8279 ?       ?         0.07   0.07   0.00   0.00   
1 1 1 57 0  10 o 7.0285  0.3775 ?       ?         -0.48  0.00   0.00   0.00   
1 1 1 57 0  11 o 0.7071  1.0061 ?       ?         0.09   -0.09  0.00   0.00   
1 1 1 57 0  12 o 1.9494  0.7131 ?       ?         -0.00  -0.28  0.00   0.00   
1 1 1 57 0  13 o 4.3012  0.7517 ?       ?         -0.19  -0.19  0.00   0.00   
1 1 1 57 1  0  o 4.2661  0.5557 3.9976  180.000   -0.68  0.00   0.00   0.00   
1 1 1 57 1  1  f 1.3673  0.7818 2.2850  -168.5000 -0.45  -0.08  0.01   0.04   
1 1 1 57 1  2  o 3.0877  0.4899 3.8353  -115.9000 0.63   -0.19  0.01   -0.03  
1 1 1 57 1  3  o 6.9372  0.2747 5.8913  133.300   0.44   -0.69  -0.03  -0.01  
1 1 1 57 1  4  o 1.5546  0.8140 ?       ?         0.52   -0.35  -0.03  -0.03  
1 1 1 57 1  5  o 4.6650  0.3959 ?       ?         -0.30  1.45   -0.07  0.04   
1 1 1 57 1  6  o 3.6371  0.5416 ?       ?         -0.30  0.90   0.01   -0.03  
1 1 1 57 1  7  o 2.9976  0.5805 ?       ?         -0.03  0.35   -0.01  0.00   
1 1 1 57 1  8  o 1.2274  0.8631 ?       ?         0.12   -0.21  0.00   -0.00  
1 1 1 57 1  9  o 2.6651  1.2262 ?       ?         0.34   -0.18  0.01   0.00   
1 1 1 57 1  10 o 5.2442  0.3456 ?       ?         -1.12  -1.60  -0.05  0.08   
1 1 1 57 1  11 o 2.7440  0.5045 ?       ?         -0.51  -0.44  -0.01  0.02   
1 1 1 57 1  12 o 4.9761  0.3945 ?       ?         3.27   -0.21  0.11   0.10   
1 1 1 57 1  13 o 4.4248  0.6159 ?       ?         -0.33  -0.47  -0.00  -0.00  
1 1 1 57 2  0  f 0.0000  2.3022 0.2412  0.0000    0.24   0.00   0.00   0.00   
1 1 1 57 2  1  o 3.1068  0.5049 3.7568  31.100    0.33   0.29   0.01   0.00   
1 1 1 57 2  2  o 2.5722  0.5722 2.9591  3.3000    0.02   -0.45  -0.01  -0.02  
1 1 1 57 2  3  o 3.2588  1.4467 2.1386  58.700    -0.08  0.66   0.01   0.02   
1 1 1 57 2  4  o 3.0129  0.5440 ?       ?         0.19   -0.09  -0.00  -0.00  
1 1 1 57 2  5  o 6.7715  0.2948 ?       ?         -1.60  1.70   -0.08  -0.20  
1 1 1 57 2  6  o 1.4028  0.8305 ?       ?         0.01   -0.00  0.00   0.00   
1 1 1 57 2  7  o 3.5438  0.9808 ?       ?         0.71   -0.51  -0.03  -0.00  
1 1 1 57 2  8  o 3.5157  0.4960 ?       ?         -0.38  1.15   -0.01  -0.05  
1 1 1 57 2  9  o 2.4925  0.6725 ?       ?         0.40   -0.45  -0.01  -0.01  
1 1 1 57 2  10 o 2.2971  1.0660 ?       ?         -0.50  -0.33  -0.01  0.01   
1 1 1 57 2  11 o 2.0417  0.6068 ?       ?         -0.67  0.42   0.04   -0.02  
1 1 1 57 2  12 o 4.3301  0.3623 ?       ?         -2.11  -0.71  0.08   0.01   
1 1 1 57 2  13 o 3.6797  0.6286 ?       ?         1.08   -0.31  0.00   -0.01  
1 1 1 57 3  0  o 1.1832  0.9693 1.4590  0.0000    0.01   0.00   0.00   0.00   
1 1 1 57 3  1  o 3.9653  0.4159 3.0822  138.400   -0.55  -0.19  -0.00  0.02   
1 1 1 57 3  2  o 2.8204  0.5151 3.6507  -77.7000  0.12   -0.44  -0.02  -0.00  
1 1 1 57 3  3  o 1.8794  0.6731 1.7447  -98.3000  0.53   -0.36  -0.02  -0.06  
1 1 1 57 3  4  o 4.0139  0.5214 ?       ?         1.35   -0.54  -0.04  -0.05  
1 1 1 57 3  5  o 0.5089  0.7976 ?       ?         0.62   0.33   0.00   0.07   
1 1 1 57 3  6  o 0.8140  0.8472 ?       ?         -0.07  -0.12  -0.00  0.00   
1 1 1 57 3  7  o 4.3180  0.4287 ?       ?         -0.21  -0.03  0.00   -0.00  
1 1 1 57 3  8  o 3.5503  0.5439 ?       ?         -0.17  -0.34  0.00   0.00   
1 1 1 57 3  9  f 2.9532  0.5875 ?       ?         -0.51  0.23   0.01   -0.00  
1 1 1 57 3  10 o 3.0247  0.5106 ?       ?         -0.83  0.57   0.01   -0.03  
1 1 1 57 3  11 o 4.1038  0.3809 ?       ?         0.04   0.64   -0.01  -0.00  
1 1 1 57 3  12 o 2.0803  0.9894 ?       ?         -0.50  0.47   -0.01  -0.01  
1 1 1 57 3  13 f 0.9829  1.0068 ?       ?         -0.33  0.44   0.00   -0.01  
1 1 1 57 4  0  o 0.0000  2.2583 0.6249  180.000   -0.01  0.00   0.00   0.00   
1 1 1 57 4  1  o 2.6659  0.6990 2.3766  57.100    0.26   -0.08  -0.00  -0.01  
1 1 1 57 4  2  o 2.1270  0.9999 2.4553  103.900   0.08   -0.27  -0.01  0.01   
1 1 1 57 4  3  o 0.6512  0.7935 1.6192  -4.5000   0.00   0.27   -0.01  0.01   
1 1 1 57 4  4  o 3.1492  1.4144 ?       ?         1.29   -0.46  -0.07  -0.06  
1 1 1 57 4  5  o 3.2354  0.5189 ?       ?         -0.49  0.19   0.01   -0.01  
1 1 1 57 4  6  o 3.0689  0.5518 ?       ?         0.08   -0.35  -0.00  -0.01  
1 1 1 57 4  7  o 4.8149  0.4108 ?       ?         -1.45  1.03   0.06   -0.06  
1 1 1 57 4  8  o 3.4811  0.7353 ?       ?         -0.40  -0.42  -0.01  0.00   
1 1 1 57 4  9  o 5.5803  0.3761 ?       ?         1.55   0.67   -0.01  0.06   
1 1 1 57 4  10 o 2.0069  0.6141 ?       ?         0.20   -0.11  0.00   -0.00  
1 1 1 57 4  11 o 5.3840  0.4931 ?       ?         -0.12  0.13   0.00   -0.00  
1 1 1 57 4  12 o 3.3805  0.5276 ?       ?         -0.84  0.07   0.01   0.00   
1 1 1 57 4  13 o 3.3856  0.6281 ?       ?         0.31   -0.07  0.00   -0.00  
1 1 1 57 5  0  o 7.3621  0.3559 7.1940  -0.0000   1.65   0.00   0.00   0.00   
1 1 1 57 5  1  o 4.5405  0.3677 3.9950  178.900   -0.13  -0.13  -0.00  0.00   
1 1 1 57 5  2  o 3.2543  0.6450 3.9597  169.900   0.15   0.21   0.00   0.00   
1 1 1 57 5  3  o 4.5976  0.5536 ?       ?         -0.42  0.42   -0.01  0.00   
1 1 1 57 5  4  o 1.7490  0.6983 ?       ?         0.14   0.04   0.00   0.00   
1 1 1 57 5  5  o 7.1738  0.2893 ?       ?         -1.05  -1.24  0.05   0.06   
1 1 1 57 5  6  o 0.6517  0.8302 ?       ?         -0.15  -0.19  -0.00  0.01   
1 1 1 57 5  7  o 2.5144  1.1569 ?       ?         -0.02  0.34   -0.00  -0.01  
1 1 1 57 5  8  o 3.8989  0.4840 ?       ?         -0.89  0.08   0.02   0.01   
1 1 1 57 5  9  o 0.0000  1.7027 ?       ?         -0.21  0.16   0.00   -0.01  
1 1 1 57 5  10 o 2.7070  1.2461 ?       ?         0.19   0.08   -0.00  0.00   
1 1 1 57 5  11 o 1.8942  0.6777 ?       ?         0.60   -0.06  0.02   0.01   
1 1 1 57 5  12 o 2.7717  0.5980 ?       ?         -1.07  0.35   0.01   -0.02  
1 1 1 57 5  13 o 3.3574  1.4967 ?       ?         0.67   0.34   -0.00  0.01   
1 1 1 57 6  0  o 0.0000  2.2136 0.5860  180.000   -0.02  0.00   0.00   0.00   
1 1 1 57 6  1  f 4.7964  0.3599 4.7774  -29.5000  0.18   -0.09  0.00   -0.00  
1 1 1 57 6  2  f 5.2755  0.3356 5.0452  -129.3000 1.08   0.47   -0.00  0.09   
1 1 1 57 6  3  o 6.3610  0.3429 ?       ?         -1.17  -0.17  0.03   -0.03  
1 1 1 57 6  4  o 4.7698  0.3681 ?       ?         0.40   -1.46  -0.10  -0.06  
1 1 1 57 6  5  f 3.7301  0.4769 ?       ?         0.05   -0.23  -0.00  -0.00  
1 1 1 57 6  6  o 1.0614  0.8128 ?       ?         -0.11  -0.13  -0.00  0.00   
1 1 1 57 6  7  o 2.3455  0.6584 ?       ?         -0.05  -0.13  -0.00  0.00   
1 1 1 57 6  8  o 7.1473  0.3009 ?       ?         1.17   -2.26  -0.11  -0.10  
1 1 1 57 6  9  f 3.2043  0.4719 ?       ?         -1.08  -0.60  0.02   0.03   
1 1 1 57 6  10 o 1.5841  0.7903 ?       ?         0.12   -0.09  0.00   -0.00  
1 1 1 57 6  11 f 1.1798  0.7820 ?       ?         0.45   0.56   0.00   0.03   
1 1 1 57 6  12 o 3.1073  0.6369 ?       ?         1.56   1.23   -0.01  0.03   
1 1 1 57 6  13 o 3.3193  0.7848 ?       ?         0.18   0.96   -0.00  -0.00  
1 1 1 57 7  0  o 0.0000  2.2804 0.3035  0.0000    0.19   0.00   0.00   0.00   
1 1 1 57 7  1  o 5.2293  0.3354 5.3004  89.400    -0.04  0.93   -0.04  0.04   
1 1 1 57 7  2  o 4.8325  0.3844 ?       ?         0.36   1.12   -0.05  -0.05  
1 1 1 57 7  3  o 3.3640  0.4826 ?       ?         -0.51  0.45   0.01   -0.02  
1 1 1 57 7  4  o 3.2871  0.5099 ?       ?         -0.41  1.46   -0.11  -0.01  
1 1 1 57 7  5  o 4.1757  0.4452 ?       ?         -0.92  -0.84  0.00   0.06   
1 1 1 57 7  6  o 2.3886  0.6278 ?       ?         0.30   -0.05  0.01   -0.00  
1 1 1 57 7  7  o 3.3956  0.5340 ?       ?         0.49   0.16   0.00   0.01   
1 1 1 57 7  8  o 1.0822  0.8714 ?       ?         -0.22  0.12   -0.00  -0.01  
1 1 1 57 7  9  o 1.8341  0.6610 ?       ?         -0.39  -0.71  -0.02  0.02   
1 1 1 57 7  10 o 1.9912  0.6083 ?       ?         0.23   -0.31  -0.00  -0.01  
1 1 1 57 7  11 o 2.3654  1.0848 ?       ?         -0.12  -0.57  -0.00  0.01   
1 1 1 57 7  12 o 2.8053  0.7089 ?       ?         -0.34  -0.98  -0.01  0.00   
1 1 1 57 7  13 o 1.5201  0.8216 ?       ?         0.50   0.22   0.01   0.00   
1 1 1 57 8  0  o 5.0990  0.4736 4.3591  180.000   -0.39  0.00   0.00   0.00   
1 1 1 57 8  1  o 3.7491  0.4707 ?       ?         0.13   -0.65  0.01   -0.02  
1 1 1 57 8  2  f 10.047  0.2043 ?       ?         1.50   0.89   0.06   0.07   
1 1 1 57 8  3  o 5.5678  0.3283 ?       ?         -0.17  -0.84  -0.03  0.01   
1 1 1 57 8  4  o 2.0145  0.7795 ?       ?         -0.64  0.81   -0.09  -0.04  
1 1 1 57 8  5  o 1.5426  0.8479 ?       ?         0.27   -0.41  0.02   -0.02  
1 1 1 57 8  6  o 5.4801  0.3641 ?       ?         -0.32  0.85   -0.03  -0.00  
1 1 1 57 8  7  o 4.6008  0.4194 ?       ?         0.86   0.47   0.02   0.02   
1 1 1 57 8  8  o 2.6224  0.6504 ?       ?         -0.14  -0.66  -0.02  -0.01  
1 1 1 57 8  9  o 3.6666  0.4317 ?       ?         0.12   0.45   -0.01  -0.00  
1 1 1 57 8  10 o 1.7355  0.7077 ?       ?         -0.02  0.26   -0.00  -0.00  
1 1 1 57 8  11 o 2.8545  1.3323 ?       ?         0.27   0.32   0.01   -0.00  
1 1 1 57 8  12 o 3.2958  1.0786 ?       ?         0.67   -0.55  0.01   -0.00  
1 1 1 57 8  13 o 1.7308  0.8247 ?       ?         -1.14  -0.58  0.02   0.01   
1 1 1 57 9  0  o 6.2209  0.4136 ?       ?         -0.88  0.00   0.00   0.00   
1 1 1 57 9  1  o 2.6501  0.5625 ?       ?         -0.38  -0.20  0.01   0.01   
1 1 1 57 9  2  o 4.5908  0.3739 ?       ?         -0.04  0.45   -0.01  0.00   
1 1 1 57 9  3  o 6.5842  0.2929 ?       ?         -0.51  0.90   -0.03  -0.02  
1 1 1 57 9  4  o 3.5388  0.4801 ?       ?         -0.27  -0.42  -0.00  0.01   
1 1 1 57 9  5  o 4.6968  0.3869 ?       ?         -0.42  0.21   -0.00  -0.01  
1 1 1 57 9  6  o 5.6531  0.3543 ?       ?         -0.80  -0.49  0.02   0.01   
1 1 1 57 9  7  o 3.8883  0.4854 ?       ?         1.38   0.95   0.01   0.07   
1 1 1 57 9  8  o 4.9925  0.9323 ?       ?         1.93   -0.04  -0.02  0.05   
1 1 1 57 9  9  o 3.5880  0.4451 ?       ?         0.79   -0.30  0.02   -0.00  
1 1 1 57 9  10 o 4.2015  0.4753 ?       ?         0.37   -0.75  -0.01  -0.01  
1 1 1 57 9  11 o 0.2308  0.6391 ?       ?         0.09   -0.41  -0.01  0.00   
1 1 1 57 9  12 o 2.5566  1.0809 ?       ?         0.61   -0.09  0.01   0.01   
1 1 1 57 9  13 o 0.0000  1.9515 ?       ?         -0.67  -0.40  0.00   0.01   
1 1 1 57 10 0  o 0.3162  0.8176 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 57 10 1  o 5.2753  0.3881 ?       ?         1.84   0.95   -0.07  0.12   
1 1 1 57 10 2  o 3.0623  0.4833 ?       ?         0.40   -0.42  -0.01  -0.02  
1 1 1 57 10 3  o 5.8547  0.3142 ?       ?         0.57   -1.16  -0.06  -0.02  
1 1 1 57 10 4  o 3.9420  0.4327 ?       ?         -0.50  0.54   -0.01  -0.02  
1 1 1 57 10 5  o 3.8680  0.4455 ?       ?         0.75   -0.06  0.02   0.01   
1 1 1 57 10 6  o 2.3541  1.0959 ?       ?         -0.10  -0.14  0.00   0.00   
1 1 1 57 10 7  o 4.0471  0.4675 ?       ?         1.10   0.63   0.04   -0.00  
1 1 1 57 10 8  o 3.2655  0.6056 ?       ?         0.79   0.70   -0.03  0.02   
1 1 1 57 10 9  o 1.9448  0.7641 ?       ?         -0.05  -0.26  -0.00  0.00   
1 1 1 57 10 10 o 2.8376  0.6800 ?       ?         -0.25  -0.10  0.00   0.00   
1 1 1 57 10 11 o 2.5016  0.5905 ?       ?         -1.30  0.09   0.02   -0.00  
1 1 1 57 10 12 o 1.3238  0.8430 ?       ?         0.32   -0.50  -0.00  -0.01  
1 1 1 57 10 13 o 2.2986  0.7887 ?       ?         0.11   -0.10  0.00   -0.00  
1 1 1 57 11 0  o 0.0000  2.3022 ?       ?         -0.31  0.00   0.00   0.00   
1 1 1 57 11 1  o 2.2896  0.5926 ?       ?         -0.40  0.63   -0.03  -0.03  
1 1 1 57 11 2  o 3.5469  0.4657 ?       ?         0.94   -1.38  -0.10  -0.07  
1 1 1 57 11 3  o 3.1680  0.5358 ?       ?         0.11   -0.30  0.00   -0.00  
1 1 1 57 11 4  o 3.5864  0.4905 ?       ?         0.55   -0.66  -0.03  -0.01  
1 1 1 57 11 5  o 0.6066  0.8012 ?       ?         0.18   0.34   -0.00  0.02   
1 1 1 57 11 6  o 4.4275  0.4041 ?       ?         0.57   0.29   0.01   0.01   
1 1 1 57 11 7  o 5.8531  0.4602 ?       ?         1.50   -1.89  -0.10  -0.04  
1 1 1 57 11 8  o 3.5245  0.6249 ?       ?         1.10   -0.64  -0.02  -0.02  
1 1 1 57 11 9  o 3.3983  0.5817 ?       ?         0.27   0.27   0.00   0.00   
1 1 1 57 11 10 o 3.5607  0.8293 ?       ?         0.31   0.56   0.00   0.00   
1 1 1 57 11 11 o 2.8706  0.7394 ?       ?         -0.38  0.57   0.00   -0.01  
1 1 1 57 11 12 o 3.9574  1.5900 ?       ?         1.18   -0.14  0.00   0.02   
1 1 1 57 11 13 f 3.0984  0.9781 ?       ?         -0.47  -0.83  0.00   0.00   
1 1 1 57 12 0  o 1.0954  0.9988 ?       ?         0.11   0.00   0.00   0.00   
1 1 1 57 12 1  o 3.3257  0.4739 ?       ?         -0.45  0.84   0.02   -0.04  
1 1 1 57 12 2  o 7.0783  0.2832 ?       ?         -0.99  1.41   0.01   -0.10  
1 1 1 57 12 3  o 1.7413  0.6901 ?       ?         -0.09  0.25   -0.00  -0.00  
1 1 1 57 12 4  o 6.5207  0.3566 ?       ?         1.88   -0.50  -0.01  -0.11  
1 1 1 57 12 5  o 4.4632  0.3952 ?       ?         -1.03  -0.83  -0.01  0.05   
1 1 1 57 12 6  o 1.8379  0.8676 ?       ?         0.69   -0.32  0.04   -0.01  
1 1 1 57 12 7  o 2.2832  0.6935 ?       ?         -0.53  -0.35  0.02   0.01   
1 1 1 57 12 8  o 4.3409  0.4960 ?       ?         -0.50  1.37   -0.02  -0.01  
1 1 1 57 12 9  o 2.4223  0.7579 ?       ?         0.40   -0.04  0.00   0.00   
1 1 1 57 12 10 o 4.8311  0.7734 ?       ?         -0.06  0.19   0.00   -0.00  
1 1 1 57 12 11 o 2.2321  0.7742 ?       ?         -0.25  -0.85  -0.00  0.01   
1 1 1 57 12 12 o 4.3660  1.9658 ?       ?         -1.75  0.41   0.00   0.05   
1 1 1 57 13 0  o 2.8107  0.6950 ?       ?         -0.01  0.00   0.00   0.00   
1 1 1 57 13 1  o 0.3520  0.6977 ?       ?         0.07   -0.04  0.00   -0.00  
1 1 1 57 13 2  o 4.3113  1.0175 ?       ?         0.07   -2.00  0.05   -0.06  
1 1 1 57 13 3  o 5.2414  0.3456 ?       ?         -0.17  -1.46  -0.07  0.05   
1 1 1 57 13 4  o 3.8298  0.5324 ?       ?         1.69   0.22   0.03   -0.06  
1 1 1 57 13 5  o 4.4648  0.5604 ?       ?         0.25   -0.41  0.00   -0.00  
1 1 1 57 13 6  o 4.9360  0.4226 ?       ?         0.55   1.18   -0.04  -0.00  
1 1 1 57 13 7  o 4.7649  0.5180 ?       ?         0.55   -0.45  0.01   -0.00  
1 1 1 57 13 8  o 2.0008  0.9093 ?       ?         -0.49  -0.19  0.00   0.00   
1 1 1 57 13 9  o 5.0918  0.6377 ?       ?         0.04   1.16   -0.01  -0.00  
1 1 1 57 13 10 o 0.8584  1.1126 ?       ?         -0.98  0.29   0.01   -0.00  
1 1 1 57 13 11 o 3.3317  1.0436 ?       ?         0.45   0.16   0.00   0.00   
1 1 1 57 13 12 o 4.3474  0.8033 ?       ?         -0.03  1.04   0.00   0.00   
1 1 1 57 14 0  o 0.0000  2.2583 ?       ?         -0.07  0.00   0.00   0.00   
1 1 1 57 14 1  o 3.1774  0.5172 ?       ?         -0.31  -0.19  -0.00  0.01   
1 1 1 57 14 2  o 2.8393  0.5205 ?       ?         -0.09  0.23   -0.00  -0.00  
1 1 1 57 14 3  o 6.5695  0.5972 ?       ?         -0.25  1.28   0.01   -0.03  
1 1 1 57 14 4  o 4.3541  0.4247 ?       ?         1.62   -1.49  -0.08  -0.07  
1 1 1 57 14 5  o 4.3242  0.4430 ?       ?         -0.27  0.73   0.00   -0.01  
1 1 1 57 14 6  o 5.0189  0.5302 ?       ?         0.30   -0.12  0.00   -0.00  
1 1 1 57 14 7  o 2.3473  1.0954 ?       ?         -0.57  -0.98  -0.00  0.02   
1 1 1 57 14 8  o 7.1636  0.4933 ?       ?         -2.11  -0.15  0.03   0.01   
1 1 1 57 14 9  o 4.8841  1.1840 ?       ?         0.97   0.12   0.00   -0.00  
1 1 1 57 14 10 o 3.4919  1.4309 ?       ?         -0.30  0.29   0.00   0.00   
1 1 1 57 14 11 o 3.9497  0.8897 ?       ?         -0.16  1.19   0.00   0.00   
1 1 1 57 14 12 o 2.0494  1.1312 ?       ?         -0.21  0.47   0.00   0.00   
1 1 1 57 15 0  o 7.3689  0.4350 ?       ?         1.65   0.00   0.00   0.00   
1 1 1 57 15 1  o 4.2429  0.4572 ?       ?         0.85   -0.50  0.01   -0.03  
1 1 1 57 15 2  o 1.8607  0.9297 ?       ?         -0.16  0.36   0.00   -0.01  
1 1 1 57 15 3  f 6.3414  0.3720 ?       ?         0.54   -0.78  0.00   -0.01  
1 1 1 57 15 4  o 4.3520  0.6683 ?       ?         0.87   0.18   0.00   0.01   
1 1 1 57 15 5  o 0.0000  2.1363 ?       ?         -0.18  -0.05  0.00   0.00   
1 1 1 57 15 6  o 2.3045  1.0317 ?       ?         0.60   0.44   0.01   0.01   
1 1 1 57 15 7  o 1.5564  1.2011 ?       ?         -0.06  0.68   -0.01  0.00   
1 1 1 57 15 8  f 5.8778  0.6235 ?       ?         -1.97  -0.39  0.01   0.02   
1 1 1 57 15 9  o 0.0000  3.0395 ?       ?         -0.82  -0.26  -0.00  -0.00  
1 1 1 57 15 10 o 0.0000  4.8270 ?       ?         0.46   -0.70  0.00   0.00   
1 1 1 57 15 11 o 0.0000  3.1781 ?       ?         0.24   -0.12  0.00   0.00   
1 1 1 57 15 12 o 1.4832  1.0858 ?       ?         -0.95  -0.98  0.00   0.00   
1 1 1 57 16 0  o 2.1679  1.0639 ?       ?         -0.37  0.00   0.00   0.00   
1 1 1 57 16 1  o 7.3334  0.3892 ?       ?         4.60   -1.88  0.09   -0.24  
1 1 1 57 16 2  o 0.0000  2.1446 ?       ?         -0.15  -0.06  0.00   0.00   
1 1 1 57 16 3  o 2.6486  0.8377 ?       ?         0.10   0.32   -0.00  0.00   
1 1 1 57 16 4  o 2.9903  0.8752 ?       ?         0.32   0.17   0.00   0.00   
1 1 1 57 16 5  o 5.4686  0.5898 ?       ?         -0.47  0.04   0.00   -0.00  
1 1 1 57 16 6  o 2.3587  0.9810 ?       ?         -0.06  -0.20  -0.00  0.00   
1 1 1 57 16 7  o 2.7798  1.3058 ?       ?         -0.54  0.49   -0.00  -0.01  
1 1 1 57 16 8  o 6.1021  0.7981 ?       ?         1.08   -1.75  -0.00  0.01   
1 1 1 57 16 9  o 2.3983  1.5934 ?       ?         -0.36  0.59   0.00   0.00   
1 1 1 57 16 10 o 4.0497  1.9159 ?       ?         -0.12  0.08   0.00   0.00   
1 1 1 57 16 11 o 3.3764  0.9854 ?       ?         1.03   -0.30  0.00   0.00   
1 1 1 57 17 0  o 3.3317  1.0851 ?       ?         0.22   0.00   0.00   0.00   
1 1 1 57 17 1  o 4.0736  0.7189 ?       ?         -0.96  -0.71  -0.00  0.01   
1 1 1 57 17 2  o 2.8066  0.8500 ?       ?         0.03   0.50   -0.00  0.00   
1 1 1 57 17 3  o 2.0241  0.9397 ?       ?         -0.07  0.31   -0.00  -0.00  
1 1 1 57 17 4  o 3.0283  0.8533 ?       ?         -0.11  0.21   -0.00  -0.00  
1 1 1 57 17 5  o 3.7011  1.6760 ?       ?         -0.33  0.40   0.00   -0.00  
1 1 1 57 17 6  o 3.1798  0.8738 ?       ?         -0.14  -0.05  -0.00  0.00   
1 1 1 57 17 7  o 1.9010  1.0983 ?       ?         -0.96  0.54   0.00   -0.02  
1 1 1 57 17 8  o 0.0000  3.4496 ?       ?         -0.18  0.99   0.00   0.00   
1 1 1 57 17 9  o 4.7117  1.7144 ?       ?         -0.02  -1.07  0.00   0.00   
1 1 1 57 17 10 o 0.0000  4.8580 ?       ?         0.56   -0.91  0.00   0.00   
1 1 1 57 18 0  o 5.4681  0.8257 ?       ?         0.65   0.00   0.00   0.00   
1 1 1 57 18 1  o 4.0662  0.7362 ?       ?         2.33   0.32   0.03   -0.02  
1 1 1 57 18 2  o 5.6975  0.5461 ?       ?         0.78   -0.70  -0.00  -0.01  
1 1 1 57 18 3  o 0.9749  1.0840 ?       ?         0.27   -0.50  -0.00  -0.01  
1 1 1 57 18 4  o 5.1293  0.5984 ?       ?         -0.65  0.28   0.00   -0.00  
1 1 1 57 18 5  o 5.5891  0.6171 ?       ?         0.46   1.52   -0.00  0.00   
1 1 1 57 18 6  o 3.6302  0.9489 ?       ?         -0.62  0.83   -0.00  -0.00  
1 1 1 57 18 7  o 4.1551  1.9922 ?       ?         1.04   -0.26  0.00   0.00   
1 1 1 57 18 9  o 5.8566  1.5584 ?       ?         -1.41  -0.37  0.00   0.00   
1 1 1 57 19 0  o 1.0000  1.4046 ?       ?         -0.22  0.00   0.00   0.00   
1 1 1 57 19 1  o 2.9528  0.8906 ?       ?         -0.46  0.50   -0.00  -0.00  
1 1 1 57 19 2  o 1.6626  0.9619 ?       ?         0.05   -0.54  -0.01  -0.00  
1 1 1 57 19 3  o 3.7216  1.0459 ?       ?         0.65   0.65   -0.01  0.00   
1 1 1 57 19 4  o 5.0122  1.3295 ?       ?         -0.99  0.46   -0.01  -0.00  
1 1 1 57 19 5  o 4.2098  0.8956 ?       ?         0.52   -1.09  0.00   0.00   
1 1 1 57 19 6  f 4.0319  1.1097 ?       ?         0.28   -0.88  0.00   0.00   
1 1 1 57 19 7  o 0.0000  4.7958 ?       ?         0.06   -0.28  0.00   0.00   
1 1 1 57 20 0  f 4.7958  1.1293 ?       ?         -0.07  0.00   0.00   0.00   
1 1 1 57 20 1  o 1.7259  1.3050 ?       ?         -0.46  0.70   -0.00  -0.01  
1 1 1 57 20 2  o 3.5958  1.2612 ?       ?         0.41   0.22   -0.00  0.00   
1 1 1 57 20 3  o 3.3696  1.6752 ?       ?         0.29   -0.46  0.00   -0.00  
1 1 1 57 20 4  o 6.8108  0.5708 ?       ?         2.56   1.30   -0.02  0.02   
1 1 1 57 20 5  o 0.0000  2.9126 ?       ?         0.54   0.09   0.00   0.00   
1 1 1 57 20 6  o 4.6565  2.1528 ?       ?         -0.02  -0.57  0.00   -0.00  
1 1 1 57 21 0  o 0.0000  3.7283 ?       ?         -0.20  0.00   0.00   0.00   
1 1 1 57 21 1  o 3.3204  1.5580 ?       ?         0.24   -0.05  0.00   0.00   
1 1 1 57 21 2  o 2.0504  1.1988 ?       ?         0.38   0.08   0.00   0.00   
1 1 1 57 21 3  o 0.0000  3.2126 ?       ?         0.17   -0.41  0.00   0.00   
1 1 1 57 21 4  o 4.8630  1.1003 ?       ?         0.21   -1.28  0.01   0.00   
1 1 1 57 21 5  o 2.9060  1.4334 ?       ?         -0.39  -0.09  -0.00  -0.00  
1 1 1 57 21 6  o 4.7396  1.3084 ?       ?         -0.60  -0.44  -0.00  -0.00  
1 1 1 57 22 0  o 0.0000  4.4159 ?       ?         0.24   0.00   0.00   0.00   
1 1 1 57 22 1  o 2.4411  1.5684 ?       ?         -1.54  0.35   -0.00  -0.00  
1 1 1 57 22 2  o 3.9338  1.0795 ?       ?         0.65   0.44   -0.00  -0.00  
1 1 1 57 22 3  o 2.3322  1.4094 ?       ?         -0.68  -0.02  -0.00  0.00   
1 1 1 57 22 4  o 0.0000  3.1985 ?       ?         0.50   -0.13  0.00   -0.00  
1 1 1 57 22 5  o 2.3068  1.5380 ?       ?         -0.29  -0.41  0.00   -0.00  
1 1 1 57 22 6  o 4.5654  2.0804 ?       ?         -0.36  -0.53  0.00   -0.00  
1 1 1 57 23 0  o 4.1593  1.5023 ?       ?         0.38   0.00   0.00   0.00   
1 1 1 57 23 1  o 3.9194  1.8457 ?       ?         0.10   0.05   -0.00  -0.00  
1 1 1 57 23 2  o 3.8881  1.3120 ?       ?         0.04   -0.03  0.00   0.00   
1 1 1 57 23 3  o 0.0000  3.1785 ?       ?         0.28   -0.55  -0.00  -0.00  
1 1 1 57 23 4  o 0.0000  3.0948 ?       ?         0.18   -0.01  -0.00  0.00   
1 1 1 57 23 5  f 5.5136  1.5220 ?       ?         -0.18  0.39   0.00   0.00   
1 1 1 57 24 0  o 0.0000  4.3818 ?       ?         0.06   0.00   0.00   0.00   
1 1 1 57 24 1  f 4.9591  1.0988 ?       ?         -0.40  -0.81  0.00   -0.00  
1 1 1 57 24 2  o 0.0000  3.1890 ?       ?         -0.65  0.19   -0.00  0.00   
1 1 1 57 24 3  o 4.6560  2.1656 ?       ?         -0.23  0.37   0.00   0.00   
1 1 1 58 0  0  o 3.5071  0.8596 ?       ?         -0.03  0.00   0.00   0.00   
1 1 1 58 0  1  o 6.1563  0.4245 ?       ?         0.13   -0.13  0.00   0.00   
1 1 1 58 0  2  o 5.5678  0.4552 ?       ?         0.00   0.12   0.00   0.00   
1 1 1 58 0  3  o 3.2094  0.6703 ?       ?         -0.01  -0.01  0.00   0.00   
1 1 1 58 0  4  o 2.1909  0.9288 ?       ?         0.19   0.00   0.00   0.00   
1 1 1 58 0  5  o 2.9496  0.7811 ?       ?         -0.22  0.22   0.00   0.00   
1 1 1 58 0  6  o 0.0000  2.4698 ?       ?         -0.00  -0.03  0.00   0.00   
1 1 1 58 0  7  o 2.0248  0.9366 ?       ?         0.10   0.10   0.00   0.00   
1 1 1 58 0  8  o 0.0000  2.4698 ?       ?         0.09   0.00   0.00   0.00   
1 1 1 58 0  9  o 1.3784  1.0797 ?       ?         0.15   -0.15  0.00   0.00   
1 1 1 58 0  10 f 2.6268  0.8538 ?       ?         -0.00  -0.08  0.00   0.00   
1 1 1 58 0  11 o 3.2094  0.7622 ?       ?         0.53   0.53   0.00   0.00   
1 1 1 58 0  12 o 0.0000  2.1213 ?       ?         -0.23  0.00   0.00   0.00   
1 1 1 58 0  13 o 2.0494  1.1496 ?       ?         -0.26  0.26   0.00   0.00   
1 1 1 58 1  0  f 4.7539  0.5187 ?       ?         0.11   0.00   0.00   0.00   
1 1 1 58 1  1  o 4.4755  0.3999 ?       ?         0.73   -0.69  -0.03  -0.02  
1 1 1 58 1  2  o 4.2777  0.4605 ?       ?         0.34   0.46   -0.01  -0.00  
1 1 1 58 1  3  o 5.6882  0.3336 ?       ?         -1.79  1.28   0.15   -0.06  
1 1 1 58 1  4  o 2.4134  0.9283 ?       ?         0.46   -0.91  -0.07  0.02   
1 1 1 58 1  5  o 3.1127  0.5419 ?       ?         -0.82  0.30   0.01   -0.03  
1 1 1 58 1  6  o 4.3163  0.4396 ?       ?         0.22   -0.02  0.00   -0.00  
1 1 1 58 1  7  o 2.4967  1.1616 ?       ?         0.11   0.28   -0.00  -0.00  
1 1 1 58 1  8  o 3.4654  0.5200 ?       ?         0.28   0.26   0.00   0.00   
1 1 1 58 1  9  o 3.1571  0.5806 ?       ?         -1.03  -0.17  0.03   0.00   
1 1 1 58 1  10 f 2.4560  0.6638 ?       ?         0.01   0.16   -0.00  -0.00  
1 1 1 58 1  11 o 3.7396  1.6703 ?       ?         0.04   -1.07  0.02   -0.02  
1 1 1 58 1  12 o 3.7663  0.7708 ?       ?         1.88   -0.43  0.03   0.04   
1 1 1 58 1  13 o 1.4991  0.9565 ?       ?         0.71   -0.36  0.00   -0.00  
1 1 1 58 2  0  o 0.0000  2.2136 ?       ?         0.15   0.00   0.00   0.00   
1 1 1 58 2  1  o 6.7032  0.2881 ?       ?         0.82   -2.74  -0.29  -0.03  
1 1 1 58 2  2  o 6.1981  0.3011 ?       ?         2.43   -0.45  0.21   -0.12  
1 1 1 58 2  3  o 5.8179  0.4668 ?       ?         -0.81  1.25   -0.06  0.02   
1 1 1 58 2  4  o 5.2207  0.5876 ?       ?         -1.25  2.80   -0.18  0.13   
1 1 1 58 2  5  o 1.0821  0.8101 ?       ?         -0.35  -0.26  0.00   0.02   
1 1 1 58 2  6  o 2.6416  0.6098 ?       ?         -0.63  0.23   0.02   -0.01  
1 1 1 58 2  7  o 4.9635  0.4028 ?       ?         -3.09  1.04   0.04   -0.23  
1 1 1 58 2  8  o 3.2730  0.5486 ?       ?         -0.75  0.56   -0.01  -0.02  
1 1 1 58 2  9  o 0.7417  0.8745 ?       ?         -0.06  -0.17  -0.00  0.00   
1 1 1 58 2  10 o 3.8252  0.4859 ?       ?         0.70   0.60   -0.00  0.01   
1 1 1 58 2  11 f 2.5614  0.5754 ?       ?         0.55   -0.19  0.00   -0.00  
1 1 1 58 2  12 o 1.8661  0.9784 ?       ?         -0.52  -0.85  -0.04  -0.01  
1 1 1 58 2  13 o 2.3395  0.8715 ?       ?         0.11   0.66   -0.00  0.00   
1 1 1 58 3  0  o 2.3238  0.8518 ?       ?         0.01   0.00   0.00   0.00   
1 1 1 58 3  1  o 4.9388  0.4919 ?       ?         0.23   -1.62  0.01   -0.08  
1 1 1 58 3  2  o 6.5428  0.3096 ?       ?         0.51   1.32   0.00   0.06   
1 1 1 58 3  3  o 4.4456  0.4159 ?       ?         1.01   -1.46  -0.01  -0.12  
1 1 1 58 3  4  o 3.1605  0.5298 ?       ?         -1.18  0.42   0.05   -0.05  
1 1 1 58 3  5  f 3.2982  1.1314 ?       ?         0.10   0.10   0.00   -0.00  
1 1 1 58 3  6  o 0.6293  0.8386 ?       ?         -0.01  0.08   -0.00  -0.00  
1 1 1 58 3  7  o 6.0141  0.3560 ?       ?         -0.81  -0.39  0.00   0.02   
1 1 1 58 3  8  o 2.2329  0.7023 ?       ?         0.68   0.31   0.00   0.02   
1 1 1 58 3  9  o 3.3180  0.5318 ?       ?         -0.73  0.64   0.00   -0.02  
1 1 1 58 3  10 o 4.2426  0.4601 ?       ?         0.23   -0.30  -0.00  -0.00  
1 1 1 58 3  11 o 2.1134  0.6386 ?       ?         0.72   0.49   0.00   0.01   
1 1 1 58 3  12 o 4.6262  0.5020 ?       ?         1.38   -0.32  0.01   -0.00  
1 1 1 58 4  0  o 2.8461  0.7228 ?       ?         -0.36  0.00   0.00   0.00   
1 1 1 58 4  1  o 2.9347  0.5213 ?       ?         -0.47  -0.60  -0.01  0.03   
1 1 1 58 4  2  o 2.6486  0.6110 ?       ?         0.14   0.53   -0.01  -0.01  
1 1 1 58 4  3  o 4.2716  0.4136 ?       ?         0.60   0.84   0.02   0.03   
1 1 1 58 4  4  o 2.9909  0.6697 ?       ?         -0.14  0.64   -0.01  0.02   
1 1 1 58 4  5  o 2.2402  0.6625 ?       ?         0.11   -0.43  -0.01  -0.01  
1 1 1 58 4  6  o 2.5298  0.5997 ?       ?         -0.15  0.11   0.00   -0.00  
1 1 1 58 4  7  o 4.4642  0.4442 ?       ?         -1.44  0.43   0.05   0.01   
1 1 1 58 4  8  o 0.0000  1.7521 ?       ?         0.64   -0.05  0.03   -0.03  
1 1 1 58 4  9  o 1.9799  0.7278 ?       ?         -0.33  0.12   0.00   -0.01  
1 1 1 58 4  10 o 2.5131  0.5935 ?       ?         0.23   -0.09  0.00   -0.00  
1 1 1 58 4  11 o 2.7441  0.5441 ?       ?         -0.02  0.06   -0.00  -0.00  
1 1 1 58 4  12 o 1.6767  1.0798 ?       ?         0.08   -0.03  0.00   -0.00  
1 1 1 58 5  0  o 1.6125  0.9072 ?       ?         -0.20  0.00   0.00   0.00   
1 1 1 58 5  1  o 0.0000  1.6201 ?       ?         0.33   -0.01  0.02   -0.01  
1 1 1 58 5  2  f 1.9963  0.9477 ?       ?         -0.18  0.20   -0.01  -0.00  
1 1 1 58 5  3  o 1.8076  0.7047 ?       ?         0.36   -0.48  -0.01  -0.03  
1 1 1 58 5  4  o 2.2359  0.6444 ?       ?         -0.16  0.53   -0.02  -0.01  
1 1 1 58 5  5  o 1.7070  0.8252 ?       ?         0.11   0.41   -0.01  -0.01  
1 1 1 58 5  6  o 2.3465  0.6372 ?       ?         0.24   -0.36  -0.00  -0.01  
1 1 1 58 5  7  o 6.9323  0.5795 ?       ?         0.62   1.28   0.02   0.02   
1 1 1 58 5  8  o 6.1055  0.3484 ?       ?         0.39   -0.27  0.00   -0.00  
1 1 1 58 5  9  o 2.5730  0.6253 ?       ?         0.40   0.50   0.01   0.01   
1 1 1 58 5  10 f 3.8745  0.4727 ?       ?         1.13   0.16   0.02   0.01   
1 1 1 58 5  11 o 0.0000  1.5596 ?       ?         -0.05  0.45   -0.01  -0.01  
1 1 1 58 5  12 o 2.8391  0.7776 ?       ?         -0.15  -0.06  0.00   0.00   
1 1 1 58 6  0  o 6.1887  0.4367 ?       ?         0.51   0.00   0.00   0.00   
1 1 1 58 6  1  f 4.2988  0.3833 ?       ?         -1.07  1.10   -0.03  -0.11  
1 1 1 58 6  2  o 1.0982  0.8359 ?       ?         -0.38  -0.03  0.02   -0.01  
1 1 1 58 6  3  o 5.8893  0.3231 ?       ?         -0.72  -1.19  -0.05  0.06   
1 1 1 58 6  4  o 5.8881  0.3345 ?       ?         -0.47  -2.35  -0.06  0.17   
1 1 1 58 6  5  f 3.7043  1.6336 ?       ?         0.91   0.45   -0.03  0.01   
1 1 1 58 6  6  o 4.5422  0.4241 ?       ?         1.31   -1.31  0.04   -0.07  
1 1 1 58 6  7  o 0.5023  0.8150 ?       ?         0.25   -0.61  -0.04  0.00   
1 1 1 58 6  8  o 4.2572  0.4619 ?       ?         0.31   -1.09  -0.02  -0.01  
1 1 1 58 6  9  o 4.4383  0.7483 ?       ?         -0.53  -0.34  -0.01  0.00   
1 1 1 58 6  10 o 2.5150  1.2260 ?       ?         0.04   -0.13  0.00   -0.00  
1 1 1 58 6  11 o 3.4778  0.7739 ?       ?         -0.65  -0.81  0.01   0.00   
1 1 1 58 6  12 o 2.4089  1.1952 ?       ?         0.75   0.76   0.01   0.02   
1 1 1 58 7  0  o 12.161  0.2734 ?       ?         1.17   0.00   0.00   0.00   
1 1 1 58 7  1  o 2.5523  0.5812 ?       ?         -1.04  0.17   0.03   -0.06  
1 1 1 58 7  2  o 0.8194  0.8268 ?       ?         0.44   0.13   0.02   -0.02  
1 1 1 58 7  3  o 0.0000  1.6731 ?       ?         0.19   0.52   -0.05  -0.00  
1 1 1 58 7  4  f 2.6262  0.5831 ?       ?         0.38   -0.03  0.01   0.00   
1 1 1 58 7  5  o 3.3510  0.4853 ?       ?         0.46   -0.55  -0.01  -0.01  
1 1 1 58 7  6  o 4.5343  0.4185 ?       ?         -0.64  1.29   -0.04  -0.04  
1 1 1 58 7  7  o 3.5654  1.5844 ?       ?         -0.65  -0.23  -0.01  0.01   
1 1 1 58 7  8  o 3.1767  0.5935 ?       ?         -0.26  -0.76  0.00   0.01   
1 1 1 58 7  9  o 3.2216  0.6251 ?       ?         0.41   -0.96  0.01   -0.03  
1 1 1 58 7  10 o 2.9687  0.5824 ?       ?         0.25   0.10   0.00   0.00   
1 1 1 58 7  11 o 4.3581  0.4851 ?       ?         -1.76  -1.07  -0.01  0.02   
1 1 1 58 7  12 o 2.3873  0.7529 ?       ?         -1.91  -0.02  0.02   -0.01  
1 1 1 58 8  0  o 1.2649  0.9485 ?       ?         0.13   0.00   0.00   0.00   
1 1 1 58 8  1  o 2.6699  0.5707 ?       ?         0.58   0.18   0.00   0.02   
1 1 1 58 8  2  o 3.4619  0.4566 ?       ?         0.31   0.59   -0.02  0.00   
1 1 1 58 8  3  o 7.6351  0.2642 ?       ?         -1.68  -2.10  -0.10  0.23   
1 1 1 58 8  4  o 3.7780  0.4535 ?       ?         0.49   -0.70  -0.00  -0.02  
1 1 1 58 8  5  o 0.0000  1.7019 ?       ?         0.15   0.23   -0.00  0.01   
1 1 1 58 8  6  o 1.5405  0.8369 ?       ?         -0.24  -0.10  0.00   -0.00  
1 1 1 58 8  7  o 1.6885  0.7482 ?       ?         0.61   -0.76  0.01   -0.06  
1 1 1 58 8  8  o 3.3909  0.5526 ?       ?         0.05   0.18   -0.00  -0.00  
1 1 1 58 8  9  o 2.2384  0.6199 ?       ?         0.06   -0.13  -0.00  -0.00  
1 1 1 58 8  10 o 3.8611  0.6303 ?       ?         -0.03  -0.75  -0.00  -0.00  
1 1 1 58 8  11 o 4.1776  0.4791 ?       ?         0.42   0.78   -0.01  0.00   
1 1 1 58 8  12 o 2.4773  0.8097 ?       ?         -1.47  0.66   0.01   0.01   
1 1 1 58 9  0  f 1.0954  1.0190 ?       ?         0.17   0.00   0.00   0.00   
1 1 1 58 9  1  o 5.3592  0.4990 ?       ?         -0.93  0.68   0.03   0.00   
1 1 1 58 9  2  o 4.1737  0.5342 ?       ?         0.83   -0.80  0.04   -0.00  
1 1 1 58 9  3  o 3.2220  0.5032 ?       ?         -0.87  0.32   0.01   -0.04  
1 1 1 58 9  4  o 2.7955  0.6151 ?       ?         -0.27  -0.90  -0.03  -0.02  
1 1 1 58 9  5  o 0.5157  0.7983 ?       ?         -0.13  -0.13  -0.00  0.00   
1 1 1 58 9  6  o 2.8275  0.5709 ?       ?         -0.06  0.37   -0.00  -0.00  
1 1 1 58 9  7  o 0.8660  0.8452 ?       ?         0.20   0.20   0.01   0.00   
1 1 1 58 9  8  o 4.3691  0.4078 ?       ?         -1.24  -0.75  0.04   0.03   
1 1 1 58 9  9  f 2.4070  0.7391 ?       ?         0.47   -0.15  0.01   -0.00  
1 1 1 58 9  10 o 4.2523  1.1439 ?       ?         -0.71  0.31   -0.00  -0.00  
1 1 1 58 9  11 o 3.1067  0.8328 ?       ?         0.21   -0.70  -0.01  0.01   
1 1 1 58 9  12 o 1.5681  0.9029 ?       ?         0.59   0.45   0.00   0.00   
1 1 1 58 10 0  o 2.2136  0.8374 ?       ?         0.33   0.00   0.00   0.00   
1 1 1 58 10 1  o 5.1340  0.3886 ?       ?         -0.02  -2.32  -0.08  -0.14  
1 1 1 58 10 2  o 4.5247  0.4260 ?       ?         0.51   -0.53  -0.02  -0.01  
1 1 1 58 10 3  o 1.7595  0.7056 ?       ?         0.04   -0.08  -0.00  -0.00  
1 1 1 58 10 4  o 2.6757  0.5522 ?       ?         0.34   -0.12  0.01   -0.00  
1 1 1 58 10 5  o 4.1759  0.4433 ?       ?         0.28   -0.40  -0.00  -0.00  
1 1 1 58 10 6  o 2.7319  0.5899 ?       ?         -0.59  -0.18  0.01   0.01   
1 1 1 58 10 7  o 3.5792  0.5493 ?       ?         0.23   0.55   0.00   0.01   
1 1 1 58 10 8  o 3.9760  0.5607 ?       ?         -0.87  0.43   0.01   0.00   
1 1 1 58 10 9  f 2.5465  0.7562 ?       ?         0.30   0.81   -0.01  0.01   
1 1 1 58 10 10 o 2.6947  0.7860 ?       ?         0.47   0.82   0.00   0.00   
1 1 1 58 10 11 f 0.0000  2.1127 ?       ?         0.73   0.50   0.00   0.02   
1 1 1 58 10 12 o 2.0675  0.7994 ?       ?         -0.59  -0.88  0.00   0.01   
1 1 1 58 11 0  o 5.3198  0.4809 ?       ?         -0.20  0.00   0.00   0.00   
1 1 1 58 11 1  o 3.1218  0.6452 ?       ?         0.69   -0.19  0.01   0.01   
1 1 1 58 11 2  o 0.0000  1.6950 ?       ?         0.18   -0.30  -0.01  -0.01  
1 1 1 58 11 3  o 1.9785  0.6521 ?       ?         0.13   -0.26  -0.00  -0.00  
1 1 1 58 11 4  o 4.1960  0.4220 ?       ?         -1.09  -1.21  -0.05  0.04   
1 1 1 58 11 5  o 6.5209  0.4811 ?       ?         -0.60  -2.77  -0.10  -0.08  
1 1 1 58 11 6  o 4.6563  0.5675 ?       ?         0.24   -0.48  -0.00  0.00   
1 1 1 58 11 7  o 1.7945  0.8643 ?       ?         -0.81  0.18   0.02   -0.02  
1 1 1 58 11 8  o 2.8535  0.6786 ?       ?         0.74   0.10   0.01   0.01   
1 1 1 58 11 9  o 4.7143  0.6406 ?       ?         -1.37  0.11   0.00   0.00   
1 1 1 58 11 10 o 3.4459  0.9264 ?       ?         0.09   -1.33  0.01   -0.00  
1 1 1 58 11 11 o 3.0035  1.1776 ?       ?         0.80   -0.54  0.01   -0.00  
1 1 1 58 11 12 o 1.1832  1.2041 ?       ?         0.86   0.08   0.00   0.00   
1 1 1 58 12 0  f 3.0822  0.6987 ?       ?         -0.39  0.00   0.00   0.00   
1 1 1 58 12 1  o 2.6090  1.0608 ?       ?         0.49   -0.54  -0.02  -0.01  
1 1 1 58 12 2  o 2.9988  1.3426 ?       ?         -0.42  -0.02  -0.00  -0.01  
1 1 1 58 12 3  o 1.4475  0.7380 ?       ?         0.08   0.59   -0.02  0.01   
1 1 1 58 12 4  o 5.0014  1.0225 ?       ?         -0.81  1.73   -0.02  0.04   
1 1 1 58 12 5  o 2.1452  0.6384 ?       ?         -0.58  -0.65  0.01   0.04   
1 1 1 58 12 6  o 4.2085  0.5772 ?       ?         0.47   0.47   0.00   0.00   
1 1 1 58 12 7  o 3.1818  1.4364 ?       ?         -0.81  -0.35  0.01   -0.00  
1 1 1 58 12 8  o 6.7840  0.5055 ?       ?         1.66   1.23   0.01   0.03   
1 1 1 58 12 9  o 3.9704  1.8458 ?       ?         -0.44  0.25   -0.00  -0.00  
1 1 1 58 12 10 o 4.3587  1.0574 ?       ?         -1.32  -0.23  -0.01  -0.01  
1 1 1 58 12 11 o 4.0620  0.9463 ?       ?         -0.21  -0.50  0.00   0.00   
1 1 1 58 13 0  o 5.6569  0.5164 ?       ?         -1.39  0.00   0.00   0.00   
1 1 1 58 13 1  o 6.2636  0.5806 ?       ?         1.58   -0.58  -0.01  -0.04  
1 1 1 58 13 2  o 2.8814  0.5857 ?       ?         -0.66  0.39   0.00   -0.02  
1 1 1 58 13 3  o 3.4545  0.5916 ?       ?         -0.79  -1.43  -0.06  -0.01  
1 1 1 58 13 4  o 4.0566  0.6004 ?       ?         -0.28  1.02   -0.01  0.01   
1 1 1 58 13 5  o 3.4383  0.7318 ?       ?         0.09   0.87   -0.01  0.00   
1 1 1 58 13 6  o 4.9976  0.5446 ?       ?         1.22   -0.85  0.00   -0.01  
1 1 1 58 13 7  f 5.5385  0.9295 ?       ?         -0.36  0.77   0.00   -0.00  
1 1 1 58 13 8  o 2.4398  1.1691 ?       ?         0.74   0.55   -0.00  0.01   
1 1 1 58 13 9  o 3.1844  0.9980 ?       ?         -0.65  0.04   -0.00  0.00   
1 1 1 58 13 10 o 1.8708  2.0715 ?       ?         0.44   0.17   0.00   0.00   
1 1 1 58 13 11 o 3.9623  0.8630 ?       ?         0.59   0.95   0.00   0.00   
1 1 1 58 14 0  o 2.8284  0.9493 ?       ?         -0.23  0.00   0.00   0.00   
1 1 1 58 14 1  o 3.3143  0.6182 ?       ?         -0.86  -0.17  0.01   0.00   
1 1 1 58 14 2  f 3.9539  1.1986 ?       ?         -0.68  -0.36  -0.01  0.01   
1 1 1 58 14 3  o 2.9653  0.7724 ?       ?         0.25   0.53   -0.00  0.00   
1 1 1 58 14 4  o 1.3254  1.1476 ?       ?         -0.28  0.33   -0.00  -0.00  
1 1 1 58 14 5  o 2.6160  0.9513 ?       ?         -0.54  0.40   0.00   -0.00  
1 1 1 58 14 6  o 2.4135  0.9982 ?       ?         0.41   0.34   0.00   0.00   
1 1 1 58 14 7  o 1.2572  1.1837 ?       ?         -0.43  -0.02  0.00   -0.00  
1 1 1 58 14 8  o 2.0834  1.0617 ?       ?         0.54   0.30   0.00   0.00   
1 1 1 58 14 9  o 4.3907  1.3728 ?       ?         0.38   -1.17  0.01   0.01   
1 1 1 58 14 10 o 0.0000  4.9193 ?       ?         -0.47  0.24   0.00   0.00   
1 1 1 58 14 11 o 2.6458  1.1004 ?       ?         0.14   -0.03  0.00   0.00   
1 1 1 58 15 0  o 1.6733  1.3477 ?       ?         0.12   0.00   0.00   0.00   
1 1 1 58 15 1  o 6.3452  0.5292 ?       ?         -0.87  -1.31  -0.01  0.02   
1 1 1 58 15 2  o 3.0975  0.7873 ?       ?         0.28   -0.06  0.00   0.00   
1 1 1 58 15 3  o 0.0000  2.1077 ?       ?         0.27   0.18   0.00   0.00   
1 1 1 58 15 4  o 2.4680  1.1999 ?       ?         -0.30  1.13   -0.01  0.00   
1 1 1 58 15 5  o 2.6438  1.2415 ?       ?         0.43   0.03   0.00   0.00   
1 1 1 58 15 6  o 1.2268  1.1625 ?       ?         -0.27  -0.13  0.00   0.00   
1 1 1 58 15 7  o 2.9845  0.8947 ?       ?         0.24   -0.91  -0.00  -0.01  
1 1 1 58 15 8  o 4.4497  0.9528 ?       ?         1.01   1.01   0.00   0.00   
1 1 1 58 15 9  o 4.4385  1.8793 ?       ?         0.91   0.34   0.00   0.00   
1 1 1 58 15 10 o 2.0494  2.0760 ?       ?         0.09   0.10   0.00   0.00   
1 1 1 58 16 0  o 3.6056  0.8804 ?       ?         -0.25  0.00   0.00   0.00   
1 1 1 58 16 1  o 3.6125  0.7543 ?       ?         -0.22  0.64   -0.00  -0.00  
1 1 1 58 16 2  o 3.9581  1.8411 ?       ?         0.36   0.62   -0.01  -0.00  
1 1 1 58 16 3  o 0.4356  0.9319 ?       ?         0.16   -0.66  -0.01  -0.01  
1 1 1 58 16 4  o 2.8407  0.9940 ?       ?         0.20   -0.72  -0.00  -0.00  
1 1 1 58 16 5  o 3.0164  1.4340 ?       ?         -0.11  1.01   -0.01  0.01   
1 1 1 58 16 6  o 3.7467  0.8629 ?       ?         -0.43  -0.27  -0.00  0.00   
1 1 1 58 16 7  o 5.5103  0.9732 ?       ?         -0.19  -1.57  0.01   0.00   
1 1 1 58 16 9  o 2.8284  1.9549 ?       ?         0.44   -1.63  0.00   0.00   
1 1 1 58 16 10 o 0.0000  5.0200 ?       ?         1.09   -0.65  0.00   0.00   
1 1 1 58 17 0  o 2.2361  1.1540 ?       ?         0.58   0.00   0.00   0.00   
1 1 1 58 17 1  o 2.3949  1.1597 ?       ?         -0.34  -0.41  0.00   0.00   
1 1 1 58 17 2  o 2.9774  0.8208 ?       ?         0.49   0.55   -0.00  0.00   
1 1 1 58 17 3  o 3.6497  0.7472 ?       ?         -0.06  0.47   -0.00  -0.00  
1 1 1 58 17 4  o 3.0394  0.8971 ?       ?         -0.83  -0.36  0.00   0.00   
1 1 1 58 17 5  o 2.3833  0.9905 ?       ?         -0.60  -0.27  0.00   0.00   
1 1 1 58 17 6  o 3.3475  1.1206 ?       ?         -0.16  0.35   -0.00  0.00   
1 1 1 58 17 9  o 2.0248  2.0433 ?       ?         0.03   -1.22  0.00   0.00   
1 1 1 58 18 0  o 5.3572  0.7964 ?       ?         1.50   0.00   0.00   0.00   
1 1 1 58 18 1  o 2.4366  1.1630 ?       ?         0.31   -0.54  0.00   -0.00  
1 1 1 58 18 2  o 1.2594  1.0820 ?       ?         0.01   -0.14  -0.00  -0.00  
1 1 1 58 18 3  o 4.5914  0.6044 ?       ?         0.78   -1.08  0.00   -0.01  
1 1 1 58 18 4  o 1.9410  1.1664 ?       ?         0.01   -0.25  -0.00  0.00   
1 1 1 58 18 5  o 2.9717  1.1600 ?       ?         0.22   0.04   0.00   0.00   
1 1 1 58 18 6  o 3.0266  1.6681 ?       ?         -1.31  -1.58  0.00   -0.03  
1 1 1 58 18 9  o 0.0000  4.9295 ?       ?         -0.03  0.91   0.00   0.00   
1 1 1 58 19 0  o 3.0659  1.1303 ?       ?         0.22   0.00   0.00   0.00   
1 1 1 58 19 1  o 4.3223  2.0557 ?       ?         0.26   0.62   -0.00  -0.00  
1 1 1 58 19 2  o 1.7117  1.0799 ?       ?         0.63   0.27   0.00   0.00   
1 1 1 58 19 3  o 2.7361  1.4156 ?       ?         0.32   0.08   0.00   0.00   
1 1 1 58 19 4  o 7.5767  0.6774 ?       ?         -1.97  -3.59  0.01   0.02   
1 1 1 58 19 5  o 0.9959  1.3314 ?       ?         0.28   -1.02  0.00   -0.00  
1 1 1 58 19 6  f 4.4655  1.3175 ?       ?         -1.15  0.55   -0.01  0.01   
1 1 1 58 20 0  o 4.9092  0.9978 ?       ?         0.58   0.00   0.00   0.00   
1 1 1 58 20 1  o 1.9162  1.3285 ?       ?         0.24   -0.57  -0.00  -0.00  
1 1 1 58 20 2  o 3.1227  1.3547 ?       ?         -0.13  0.47   0.00   0.00   
1 1 1 58 20 3  o 3.2222  1.3692 ?       ?         -0.31  0.33   0.00   0.00   
1 1 1 58 20 4  o 0.9684  1.4986 ?       ?         0.24   -0.01  -0.00  -0.00  
1 1 1 58 20 5  o 1.3966  1.5719 ?       ?         -0.32  -1.17  0.01   -0.00  
1 1 1 58 20 6  o 3.9522  1.0651 ?       ?         1.35   -0.26  -0.01  0.01   
1 1 1 58 21 0  o 0.0000  4.4833 ?       ?         -0.76  0.00   0.00   0.00   
1 1 1 58 21 1  o 3.8484  1.8440 ?       ?         -0.01  -0.19  -0.00  0.00   
1 1 1 58 21 2  o 3.7217  1.7583 ?       ?         -0.19  -0.38  0.00   -0.00  
1 1 1 58 21 3  o 3.8983  1.2969 ?       ?         -1.65  -0.51  -0.02  -0.01  
1 1 1 58 21 4  o 1.5190  1.5992 ?       ?         0.65   0.08   -0.00  -0.00  
1 1 1 58 21 5  o 4.3569  2.0550 ?       ?         -0.19  -0.45  0.00   -0.00  
1 1 1 58 21 6  o 2.6092  1.5591 ?       ?         0.29   -0.73  0.00   0.00   
1 1 1 58 22 0  o 0.0000  4.3474 ?       ?         -0.13  0.00   0.00   0.00   
1 1 1 58 22 1  o 3.2617  1.5753 ?       ?         -1.12  -0.92  -0.00  -0.01  
1 1 1 58 22 2  o 3.2403  1.3463 ?       ?         0.12   -0.24  0.00   0.00   
1 1 1 58 22 3  o 6.4599  2.9040 ?       ?         -1.50  -0.07  -0.01  -0.01  
1 1 1 58 22 4  o 4.4558  2.1152 ?       ?         -0.22  0.71   0.00   0.00   
1 1 1 58 22 5  o 5.2249  1.4794 ?       ?         -1.19  -0.59  0.00   0.00   
1 1 1 58 23 0  o 1.4142  1.9105 ?       ?         -0.32  0.00   0.00   0.00   
1 1 1 58 23 1  o 0.0000  3.0713 ?       ?         -0.02  -0.59  -0.00  -0.00  
1 1 1 58 23 2  o 0.0000  3.1096 ?       ?         -0.18  -0.82  0.00   -0.00  
1 1 1 58 23 3  o 2.4900  1.9512 ?       ?         -0.40  -0.41  0.00   0.00   
1 1 1 59 0  1  o 7.6092  0.3574 ?       ?         -0.56  -0.56  0.00   0.00   
1 1 1 59 0  2  o 9.1378  0.3273 ?       ?         -2.24  0.00   0.00   0.00   
1 1 1 59 0  3  o 4.7539  0.5609 ?       ?         0.49   -0.49  0.00   0.00   
1 1 1 59 0  4  o 0.0000  2.4083 ?       ?         0.00   0.01   0.00   0.00   
1 1 1 59 0  5  o 1.2649  1.0434 ?       ?         0.12   0.12   0.00   0.00   
1 1 1 59 0  6  o 2.9833  0.7861 ?       ?         0.46   0.00   0.00   0.00   
1 1 1 59 0  7  o 1.1832  1.0416 ?       ?         0.07   -0.07  0.00   0.00   
1 1 1 59 0  8  o 3.7815  0.7029 ?       ?         0.00   0.03   0.00   0.00   
1 1 1 59 0  9  o 3.3466  0.8192 ?       ?         0.31   0.31   0.00   0.00   
1 1 1 59 0  10 o 2.4290  0.9289 ?       ?         0.51   0.00   0.00   0.00   
1 1 1 59 0  11 o 0.0000  2.6077 ?       ?         0.12   -0.12  0.00   0.00   
1 1 1 59 0  12 o 3.9623  0.7693 ?       ?         -0.00  -0.45  0.00   0.00   
1 1 1 59 1  0  f 4.8166  0.5133 ?       ?         -0.77  0.00   0.00   0.00   
1 1 1 59 1  1  o 3.0815  0.5160 ?       ?         0.04   0.25   -0.00  0.00   
1 1 1 59 1  2  o 3.1273  0.5244 ?       ?         -0.63  -0.23  0.01   -0.00  
1 1 1 59 1  3  f 5.4450  0.3667 ?       ?         -2.36  0.81   0.01   -0.13  
1 1 1 59 1  4  o 2.4021  0.6254 ?       ?         -0.53  0.09   0.01   -0.00  
1 1 1 59 1  5  o 3.8601  0.4672 ?       ?         -0.45  -0.05  0.01   0.00   
1 1 1 59 1  6  o 4.1022  0.4555 ?       ?         -0.03  0.63   -0.01  -0.00  
1 1 1 59 1  7  o 3.1125  0.5586 ?       ?         0.26   -0.82  -0.01  -0.00  
1 1 1 59 1  8  o 3.2723  0.5986 ?       ?         0.83   -0.79  0.01   -0.02  
1 1 1 59 1  9  o 1.9357  0.7692 ?       ?         0.27   -0.49  -0.00  -0.01  
1 1 1 59 1  10 o 3.4159  1.5334 ?       ?         1.70   0.10   -0.00  0.04   
1 1 1 59 1  11 o 2.2842  1.1507 ?       ?         -0.52  -1.00  -0.03  -0.01  
1 1 1 59 1  12 o 0.8878  0.9293 ?       ?         0.31   -0.20  0.00   -0.00  
1 1 1 59 2  0  o 0.0000  2.3238 ?       ?         0.25   0.00   0.00   0.00   
1 1 1 59 2  1  o 2.0527  0.6412 ?       ?         -0.95  -0.09  0.05   0.00   
1 1 1 59 2  2  o 3.9812  0.4325 ?       ?         0.37   0.27   0.00   0.00   
1 1 1 59 2  3  o 2.3681  0.6107 ?       ?         0.23   0.15   0.00   0.00   
1 1 1 59 2  4  o 3.4620  0.4950 ?       ?         -0.63  0.14   0.01   0.00   
1 1 1 59 2  5  o 0.0000  1.6955 ?       ?         0.26   -0.04  0.01   -0.01  
1 1 1 59 2  6  o 2.1174  0.6816 ?       ?         0.12   0.83   -0.03  -0.01  
1 1 1 59 2  7  o 3.7601  0.5031 ?       ?         -0.70  -0.29  -0.00  0.01   
1 1 1 59 2  8  o 3.5257  0.6576 ?       ?         -0.94  0.25   -0.00  -0.02  
1 1 1 59 2  9  o 0.0000  1.8019 ?       ?         0.30   -0.25  0.00   -0.01  
1 1 1 59 2  10 o 0.0000  1.8966 ?       ?         -0.05  -0.12  -0.00  0.00   
1 1 1 59 2  11 o 0.3620  0.7512 ?       ?         -0.38  -0.31  -0.00  0.01   
1 1 1 59 2  12 o 2.5567  0.6568 ?       ?         0.62   -0.00  0.00   0.00   
1 1 1 59 3  0  o 2.5495  0.7917 ?       ?         0.20   0.00   0.00   0.00   
1 1 1 59 3  1  f 3.7074  0.4477 ?       ?         1.00   0.91   0.03   0.03   
1 1 1 59 3  2  o 1.0500  0.8283 ?       ?         -0.24  0.47   0.00   -0.03  
1 1 1 59 3  3  o 6.3690  0.3038 ?       ?         -0.24  0.14   0.00   -0.00  
1 1 1 59 3  4  o 1.3308  0.7927 ?       ?         0.19   -0.16  0.00   -0.00  
1 1 1 59 3  5  o 2.2521  0.6829 ?       ?         0.42   -0.01  0.01   -0.00  
1 1 1 59 3  6  o 3.9913  0.4930 ?       ?         -1.54  0.38   0.03   0.02   
1 1 1 59 3  7  o 2.5393  0.6609 ?       ?         0.58   -0.57  -0.01  -0.01  
1 1 1 59 3  8  o 5.3153  0.4146 ?       ?         -1.68  0.33   0.04   0.01   
1 1 1 59 3  9  o 2.6344  0.6640 ?       ?         -0.70  0.23   0.01   -0.00  
1 1 1 59 3  10 o 2.8241  0.5299 ?       ?         1.73   0.54   0.03   0.01   
1 1 1 59 3  11 o 1.7395  0.7355 ?       ?         0.14   -0.25  -0.00  -0.00  
1 1 1 59 4  0  o 2.3875  0.8518 ?       ?         0.12   0.00   0.00   0.00   
1 1 1 59 4  1  o 2.5271  1.1518 ?       ?         0.72   0.57   0.04   0.01   
1 1 1 59 4  2  o 3.1756  0.6132 ?       ?         0.41   1.01   0.01   0.03   
1 1 1 59 4  3  o 4.8549  0.3899 ?       ?         0.32   0.35   -0.00  0.01   
1 1 1 59 4  4  o 2.0188  0.6954 ?       ?         -0.09  0.46   -0.01  -0.01  
1 1 1 59 4  5  o 4.0058  1.7587 ?       ?         -1.32  -0.69  -0.05  -0.01  
1 1 1 59 4  6  o 4.3328  0.4442 ?       ?         -0.86  0.98   -0.02  -0.02  
1 1 1 59 4  7  o 2.0110  0.7385 ?       ?         0.27   0.27   -0.00  0.00   
1 1 1 59 4  8  o 2.8945  0.6473 ?       ?         -0.60  -0.73  -0.02  0.01   
1 1 1 59 4  9  f 4.5134  0.5534 ?       ?         -1.37  -0.69  -0.01  0.02   
1 1 1 59 4  10 o 0.6089  0.8520 ?       ?         -0.56  0.46   0.01   -0.01  
1 1 1 59 4  11 f 0.0000  1.7195 ?       ?         -0.45  0.08   0.01   0.00   
1 1 1 59 5  0  o 0.0000  2.3022 ?       ?         0.14   0.00   0.00   0.00   
1 1 1 59 5  1  o 2.3158  0.7553 ?       ?         0.05   -0.58  -0.01  0.01   
1 1 1 59 5  2  o 5.4169  0.4893 ?       ?         -0.73  -0.16  0.01   -0.01  
1 1 1 59 5  3  o 5.5021  0.3575 ?       ?         0.11   -0.85  -0.01  0.00   
1 1 1 59 5  4  o 1.9325  0.6892 ?       ?         0.13   0.55   -0.02  0.00   
1 1 1 59 5  5  o 3.4371  0.6080 ?       ?         1.10   -0.78  0.05   -0.00  
1 1 1 59 5  6  o 3.5246  1.2449 ?       ?         -0.07  -1.79  0.00   -0.07  
1 1 1 59 5  7  o 2.1537  0.6965 ?       ?         0.07   0.73   -0.01  0.01   
1 1 1 59 5  8  o 5.7341  0.6993 ?       ?         -1.47  -0.08  0.01   0.03   
1 1 1 59 5  9  o 3.5509  0.5457 ?       ?         -0.36  1.32   -0.02  0.00   
1 1 1 59 5  10 o 1.8701  0.8539 ?       ?         0.13   -0.32  -0.00  -0.00  
1 1 1 59 5  11 f 2.5114  0.6677 ?       ?         0.93   0.67   -0.00  0.02   
1 1 1 59 6  0  o 0.8367  1.0069 ?       ?         -0.26  0.00   0.00   0.00   
1 1 1 59 6  1  o 2.3127  0.7189 ?       ?         0.18   -0.85  -0.03  0.02   
1 1 1 59 6  2  o 3.4804  0.9018 ?       ?         0.34   0.14   -0.00  0.00   
1 1 1 59 6  3  o 2.2226  0.6557 ?       ?         -0.71  0.53   0.03   -0.02  
1 1 1 59 6  4  o 0.9835  0.8470 ?       ?         0.42   -0.51  -0.02  -0.03  
1 1 1 59 6  5  o 3.2672  0.8621 ?       ?         -0.88  -0.69  0.04   -0.00  
1 1 1 59 6  6  o 3.9214  0.4860 ?       ?         -0.79  -1.33  -0.02  0.02   
1 1 1 59 6  7  o 2.8293  0.6619 ?       ?         0.15   0.01   0.00   -0.00  
1 1 1 59 6  8  o 2.3286  0.6916 ?       ?         0.52   -0.11  0.01   -0.00  
1 1 1 59 6  9  o 3.2022  1.2186 ?       ?         -0.25  0.63   0.01   -0.01  
1 1 1 59 6  10 o 2.9591  0.5639 ?       ?         -0.31  -0.66  0.00   0.00   
1 1 1 59 6  11 o 3.5777  1.1350 ?       ?         0.22   -0.51  -0.00  0.00   
1 1 1 59 7  0  o 0.0000  2.3664 ?       ?         -0.03  0.00   0.00   0.00   
1 1 1 59 7  1  o 4.2266  0.4277 ?       ?         -0.15  0.05   0.00   -0.00  
1 1 1 59 7  2  o 3.7262  0.4663 ?       ?         0.99   -1.13  0.01   -0.05  
1 1 1 59 7  3  o 2.7994  1.2749 ?       ?         -1.37  -0.09  -0.03  0.08   
1 1 1 59 7  4  o 0.0000  1.6872 ?       ?         -0.04  0.10   -0.00  -0.00  
1 1 1 59 7  5  o 2.2199  0.6806 ?       ?         0.11   -0.38  -0.01  -0.00  
1 1 1 59 7  6  o 0.0000  1.7102 ?       ?         -0.23  -0.12  0.00   0.00   
1 1 1 59 7  7  o 0.9423  0.8783 ?       ?         -0.34  0.50   -0.01  -0.02  
1 1 1 59 7  8  o 3.4658  0.5843 ?       ?         0.84   0.58   0.01   0.00   
1 1 1 59 7  9  o 2.0409  0.6986 ?       ?         -0.17  -0.29  -0.00  0.00   
1 1 1 59 7  10 o 0.3863  0.8538 ?       ?         -1.32  0.18   0.02   -0.01  
1 1 1 59 7  11 o 2.0618  0.7403 ?       ?         -0.37  0.51   -0.00  -0.00  
1 1 1 59 8  0  o 1.3416  1.0242 ?       ?         -0.23  0.00   0.00   0.00   
1 1 1 59 8  1  o 2.1075  0.9845 ?       ?         -0.36  -0.07  0.00   0.01   
1 1 1 59 8  2  o 5.1111  0.3596 ?       ?         -1.27  -2.07  -0.00  0.14   
1 1 1 59 8  3  o 1.6084  0.8196 ?       ?         -0.05  -0.31  -0.00  0.00   
1 1 1 59 8  4  o 3.2658  0.5221 ?       ?         0.12   0.91   -0.02  -0.02  
1 1 1 59 8  5  o 3.8310  0.6917 ?       ?         -1.56  -0.15  -0.00  0.04   
1 1 1 59 8  6  o 0.9645  0.8633 ?       ?         0.44   -0.62  -0.00  -0.03  
1 1 1 59 8  7  o 0.4527  0.7995 ?       ?         0.03   -0.30  -0.01  -0.00  
1 1 1 59 8  8  o 2.7538  1.3194 ?       ?         -0.12  0.44   0.00   -0.00  
1 1 1 59 8  9  f 0.0000  1.9652 ?       ?         0.18   1.03   -0.02  0.00   
1 1 1 59 8  10 o 3.7383  0.5939 ?       ?         0.07   -0.49  -0.00  0.00   
1 1 1 59 8  11 o 3.5612  0.5974 ?       ?         0.30   0.59   -0.00  -0.00  
1 1 1 59 9  0  o 1.8708  0.9308 ?       ?         -0.14  0.00   0.00   0.00   
1 1 1 59 9  1  o 4.6544  0.4046 ?       ?         -1.25  0.71   0.04   -0.02  
1 1 1 59 9  2  f 3.8619  0.4569 ?       ?         -0.24  0.15   -0.00  -0.00  
1 1 1 59 9  3  o 3.9261  0.4338 ?       ?         -0.63  0.03   0.01   -0.00  
1 1 1 59 9  4  f 2.6202  0.5700 ?       ?         -0.03  -0.27  -0.00  -0.00  
1 1 1 59 9  5  o 3.4639  0.5099 ?       ?         -0.67  -0.12  0.01   0.01   
1 1 1 59 9  6  o 0.0000  1.7087 ?       ?         0.02   0.91   -0.04  0.00   
1 1 1 59 9  7  o 1.9187  0.8335 ?       ?         -0.26  -0.19  -0.00  0.00   
1 1 1 59 9  8  o 2.8170  1.3085 ?       ?         0.44   0.63   0.01   0.01   
1 1 1 59 9  9  o 3.3109  0.7472 ?       ?         0.41   0.37   0.00   0.00   
1 1 1 59 9  10 o 3.2020  0.9652 ?       ?         -1.38  -0.19  -0.00  0.00   
1 1 1 59 9  11 o 3.7672  0.7684 ?       ?         -0.46  -0.46  -0.00  -0.00  
1 1 1 59 10 0  o 1.5492  0.9290 ?       ?         0.12   0.00   0.00   0.00   
1 1 1 59 10 1  o 2.9526  0.5621 ?       ?         -1.00  -0.07  0.02   0.02   
1 1 1 59 10 2  o 0.0000  1.6580 ?       ?         -0.25  -0.51  -0.02  0.04   
1 1 1 59 10 3  o 1.2111  0.8306 ?       ?         0.28   -0.08  0.00   -0.01  
1 1 1 59 10 4  o 4.7647  0.4040 ?       ?         -0.09  1.31   -0.02  -0.02  
1 1 1 59 10 5  o 6.7964  0.3193 ?       ?         2.30   1.14   0.07   0.04   
1 1 1 59 10 6  o 1.0721  0.9064 ?       ?         -0.12  0.09   -0.00  -0.00  
1 1 1 59 10 7  o 2.5150  0.9977 ?       ?         -0.12  0.16   -0.00  -0.00  
1 1 1 59 10 8  o 2.7216  0.8136 ?       ?         -0.24  0.53   -0.00  -0.00  
1 1 1 59 10 9  f 3.1193  1.4465 ?       ?         1.15   0.26   0.00   -0.00  
1 1 1 59 10 10 o 4.9590  0.8172 ?       ?         1.28   0.02   -0.01  -0.00  
1 1 1 59 10 11 o 2.2136  2.0858 ?       ?         0.14   1.44   0.00   0.00   
1 1 1 59 11 0  o 0.0000  2.3664 ?       ?         -0.03  0.00   0.00   0.00   
1 1 1 59 11 1  f 3.7289  0.4643 ?       ?         0.76   0.94   -0.03  0.02   
1 1 1 59 11 2  o 3.7234  0.4757 ?       ?         -0.10  0.95   -0.02  -0.01  
1 1 1 59 11 3  o 2.4937  0.6414 ?       ?         0.47   -0.03  0.01   0.00   
1 1 1 59 11 4  o 2.8149  0.6530 ?       ?         -0.02  -1.09  -0.02  0.01   
1 1 1 59 11 5  o 4.0372  0.5211 ?       ?         -0.28  -0.15  0.00   0.00   
1 1 1 59 11 6  o 2.6256  0.8411 ?       ?         -0.03  0.21   -0.00  -0.00  
1 1 1 59 11 7  o 2.9722  0.9094 ?       ?         -0.18  -1.42  -0.00  0.00   
1 1 1 59 11 8  o 2.6684  1.2972 ?       ?         -0.14  0.07   0.00   -0.00  
1 1 1 59 11 9  o 5.5017  0.5951 ?       ?         -1.51  -0.00  -0.00  0.01   
1 1 1 59 11 10 o 3.9749  1.6196 ?       ?         0.82   -0.10  0.00   0.00   
1 1 1 59 12 0  o 0.0000  2.5495 ?       ?         0.15   0.00   0.00   0.00   
1 1 1 59 12 1  o 3.3568  0.8231 ?       ?         0.46   0.24   -0.00  0.00   
1 1 1 59 12 2  o 2.6761  0.6348 ?       ?         -0.19  0.36   -0.00  -0.00  
1 1 1 59 12 3  o 2.8970  0.7107 ?       ?         1.69   -0.23  0.03   0.02   
1 1 1 59 12 4  f 3.5900  0.6647 ?       ?         0.53   0.43   0.00   0.00   
1 1 1 59 12 5  o 3.9309  0.7216 ?       ?         0.59   -0.06  0.00   0.00   
1 1 1 59 12 6  o 2.6857  0.9749 ?       ?         -0.00  0.75   -0.00  -0.00  
1 1 1 59 12 7  o 1.9176  1.1030 ?       ?         0.28   -0.04  0.00   -0.00  
1 1 1 59 12 8  o 3.1350  0.9888 ?       ?         -1.52  -0.74  -0.01  -0.01  
1 1 1 59 12 9  o 0.0000  3.4929 ?       ?         -0.18  -1.20  0.00   0.00   
1 1 1 59 13 0  o 0.0000  2.8636 ?       ?         0.20   0.00   0.00   0.00   
1 1 1 59 13 1  o 5.6991  0.4921 ?       ?         0.53   -1.49  -0.00  -0.02  
1 1 1 59 13 2  o 2.9557  0.8104 ?       ?         -1.39  0.31   0.01   -0.01  
1 1 1 59 13 3  o 4.1824  0.7172 ?       ?         0.36   0.45   -0.00  0.00   
1 1 1 59 13 4  o 1.5063  1.1654 ?       ?         -0.40  0.43   -0.00  -0.00  
1 1 1 59 13 5  o 0.2713  0.8456 ?       ?         0.68   -0.30  0.01   -0.01  
1 1 1 59 13 6  o 0.0000  2.4129 ?       ?         0.31   -0.26  0.00   -0.01  
1 1 1 59 13 7  o 2.5744  0.9546 ?       ?         0.09   0.20   -0.00  0.00   
1 1 1 59 13 8  o 0.9718  1.2042 ?       ?         -0.44  -0.70  0.00   0.00   
1 1 1 59 13 9  o 0.0000  4.5826 ?       ?         -0.10  -0.38  0.00   0.00   
1 1 1 59 14 0  o 9.9800  0.5275 ?       ?         -2.16  0.00   0.00   0.00   
1 1 1 59 14 1  o 0.0000  2.2632 ?       ?         0.10   -0.21  -0.00  -0.00  
1 1 1 59 14 2  o 3.7665  0.7689 ?       ?         1.31   1.01   0.01   0.00   
1 1 1 59 14 3  o 3.9578  0.7456 ?       ?         -0.28  0.91   0.00   -0.00  
1 1 1 59 14 4  o 4.5670  0.7121 ?       ?         -0.43  -1.19  -0.01  -0.01  
1 1 1 59 14 5  o 4.7880  1.0468 ?       ?         -0.13  0.50   -0.00  0.00   
1 1 1 59 14 6  o 3.1803  0.8686 ?       ?         -0.57  0.10   0.00   0.00   
1 1 1 59 14 7  o 0.0000  2.4446 ?       ?         0.37   0.29   -0.00  0.00   
1 1 1 59 14 8  o 0.0000  3.7014 ?       ?         -0.12  -0.17  0.00   0.00   
1 1 1 59 15 0  o 0.0000  3.1464 ?       ?         0.22   0.00   0.00   0.00   
1 1 1 59 15 1  o 2.7798  0.9208 ?       ?         0.68   -0.66  0.00   -0.00  
1 1 1 59 15 2  o 4.3853  0.7116 ?       ?         -0.02  -1.59  -0.00  0.01   
1 1 1 59 15 3  o 0.0000  2.2471 ?       ?         0.14   -0.28  -0.00  -0.00  
1 1 1 59 15 4  o 2.9968  0.9579 ?       ?         -0.26  -0.02  0.00   0.00   
1 1 1 59 15 5  o 3.7010  0.8041 ?       ?         -0.21  -0.50  -0.00  -0.00  
1 1 1 59 15 6  f 4.3039  0.8134 ?       ?         -1.01  -0.87  -0.01  -0.00  
1 1 1 59 15 7  o 5.4601  0.8196 ?       ?         1.36   2.85   0.06   -0.04  
1 1 1 59 16 0  o 2.7749  1.1810 ?       ?         0.02   0.00   0.00   0.00   
1 1 1 59 16 1  f 1.1629  1.0635 ?       ?         0.17   0.25   -0.00  0.00   
1 1 1 59 16 2  o 3.3982  1.0357 ?       ?         -0.03  0.14   0.00   -0.00  
1 1 1 59 16 3  o 4.3334  0.6771 ?       ?         -1.52  0.49   0.02   0.00   
1 1 1 59 16 4  o 1.6412  1.1562 ?       ?         -0.63  -0.36  0.01   0.00   
1 1 1 59 16 5  o 3.7379  1.0115 ?       ?         -0.93  -0.77  -0.01  0.00   
1 1 1 59 16 6  o 0.0000  3.2818 ?       ?         0.81   -0.83  -0.00  0.00   
1 1 1 59 17 0  o 3.6469  1.0657 ?       ?         -0.23  0.00   0.00   0.00   
1 1 1 59 17 1  o 4.1167  0.7073 ?       ?         -0.98  0.40   0.00   -0.00  
1 1 1 59 17 2  f 3.2374  1.5862 ?       ?         0.49   -0.25  0.01   0.01   
1 1 1 59 17 3  o 1.8070  1.0635 ?       ?         -0.65  -0.15  0.01   0.01   
1 1 1 59 17 4  o 3.4205  1.2581 ?       ?         -0.23  1.37   0.01   -0.00  
1 1 1 59 17 5  o 4.1081  1.8930 ?       ?         -0.62  -0.83  -0.00  -0.00  
1 1 1 59 17 6  o 3.9749  1.7651 ?       ?         -0.79  0.35   0.00   0.00   
1 1 1 59 18 0  o 1.7029  1.6038 ?       ?         -0.11  0.00   0.00   0.00   
1 1 1 59 18 1  o 0.0000  2.6595 ?       ?         -0.82  -0.22  0.01   0.00   
1 1 1 59 18 2  o 4.0429  1.9968 ?       ?         -0.57  -0.36  -0.00  0.00   
1 1 1 59 18 3  o 1.1874  1.0583 ?       ?         -0.65  -0.62  0.00   0.01   
1 1 1 59 18 4  o 2.1242  1.5807 ?       ?         -0.47  0.42   -0.00  0.00   
1 1 1 59 18 5  o 0.0000  3.1917 ?       ?         -0.53  -0.11  -0.00  -0.00  
1 1 1 59 18 6  o 3.3954  1.7011 ?       ?         -0.02  0.32   0.00   0.00   
1 1 1 59 19 0  o 2.7928  1.8602 ?       ?         -0.23  0.00   0.00   0.00   
1 1 1 59 19 1  o 4.5265  1.4951 ?       ?         0.20   1.31   0.01   -0.00  
1 1 1 59 19 2  o 3.7350  1.2218 ?       ?         0.03   1.31   0.01   0.00   
1 1 1 59 19 3  f 0.0000  3.2277 ?       ?         -0.42  -0.25  -0.00  -0.00  
1 1 1 59 19 4  o 5.6642  1.0777 ?       ?         -0.53  0.13   -0.00  0.00   
1 1 1 59 19 5  o 3.4779  1.6718 ?       ?         0.18   -0.17  -0.00  0.00   
1 1 1 59 19 6  o 0.8504  1.4290 ?       ?         -0.22  0.75   0.00   0.00   
1 1 1 59 20 0  o 3.4496  1.6995 ?       ?         -0.39  0.00   0.00   0.00   
1 1 1 59 20 1  o 4.1660  1.1820 ?       ?         -0.24  0.22   -0.00  0.00   
1 1 1 59 20 2  o 3.2066  1.4107 ?       ?         -0.65  -0.89  0.00   -0.01  
1 1 1 59 20 3  o 5.2002  0.9013 ?       ?         2.58   -1.22  -0.04  0.04   
1 1 1 59 20 4  o 0.0000  4.5387 ?       ?         0.45   1.48   0.00   0.00   
1 1 1 59 20 5  o 4.2047  1.1855 ?       ?         0.84   -0.47  -0.00  0.01   
1 1 1 59 20 6  o 0.0000  4.5935 ?       ?         0.00   -0.09  0.00   0.00   
1 1 1 59 21 0  o 1.4491  1.8805 ?       ?         -0.05  0.00   0.00   0.00   
1 1 1 59 21 1  o 1.9179  1.5600 ?       ?         -0.26  0.49   0.00   0.00   
1 1 1 59 21 2  o 0.0000  4.4272 ?       ?         -1.92  0.12   0.00   0.00   
1 1 1 59 21 3  o 0.0000  4.4721 ?       ?         0.07   -0.25  0.00   0.00   
1 1 1 59 21 4  f 0.0000  4.4721 ?       ?         0.22   -0.28  0.00   0.00   
1 1 1 59 21 5  o 0.0000  4.3012 ?       ?         0.93   1.39   0.00   0.00   
1 1 1 59 22 0  o 4.3704  1.5630 ?       ?         -0.54  0.00   0.00   0.00   
1 1 1 59 22 1  o 1.1990  1.4824 ?       ?         -0.09  -0.51  0.00   -0.00  
1 1 1 59 22 2  f 4.0113  1.8931 ?       ?         0.20   0.19   -0.00  -0.00  
1 1 1 59 22 3  o 4.0988  1.6040 ?       ?         -0.54  1.23   0.00   0.00   
1 1 1 60 0  0  o 2.3238  1.0558 ?       ?         0.08   0.00   0.00   0.00   
1 1 1 60 0  1  o 2.1448  0.8606 ?       ?         0.20   -0.20  0.00   0.00   
1 1 1 60 0  2  o 7.3348  0.3879 ?       ?         -0.00  -1.88  0.00   0.00   
1 1 1 60 0  3  o 6.7750  0.4425 ?       ?         1.54   1.54   0.00   0.00   
1 1 1 60 0  4  o 2.2583  0.8957 ?       ?         -0.14  0.00   0.00   0.00   
1 1 1 60 0  5  o 1.8439  0.9786 ?       ?         0.18   -0.18  0.00   0.00   
1 1 1 60 0  6  o 0.8944  1.0627 ?       ?         -0.00  -0.35  0.00   0.00   
1 1 1 60 0  7  o 0.0000  2.7568 ?       ?         0.16   0.16   0.00   0.00   
1 1 1 60 0  8  o 4.2779  0.7712 ?       ?         -0.10  0.00   0.00   0.00   
1 1 1 60 0  9  o 3.3764  0.8612 ?       ?         0.06   -0.06  0.00   0.00   
1 1 1 60 0  10 o 3.1464  0.9063 ?       ?         0.00   0.06   0.00   0.00   
1 1 1 60 1  0  o 2.3875  0.8188 ?       ?         -0.22  0.00   0.00   0.00   
1 1 1 60 1  1  o 1.8875  0.9023 ?       ?         -0.48  0.51   -0.03  -0.01  
1 1 1 60 1  2  o 3.0406  0.9211 ?       ?         0.22   -0.21  0.00   -0.00  
1 1 1 60 1  3  o 2.7972  1.2693 ?       ?         -0.28  0.10   0.00   0.00   
1 1 1 60 1  4  o 2.3497  0.6424 ?       ?         0.36   -0.25  -0.00  -0.00  
1 1 1 60 1  5  o 0.0000  1.7097 ?       ?         0.26   0.60   -0.03  0.02   
1 1 1 60 1  6  o 3.4475  1.2041 ?       ?         -0.06  -1.16  0.01   0.03   
1 1 1 60 1  7  o 2.4454  0.7304 ?       ?         -0.57  -0.45  0.00   0.01   
1 1 1 60 1  8  o 3.1314  0.7994 ?       ?         1.08   0.50   0.02   -0.00  
1 1 1 60 1  9  o 4.8726  0.5258 ?       ?         -0.52  -1.24  -0.01  -0.00  
1 1 1 60 1  10 o 1.3520  0.9528 ?       ?         -0.43  -0.31  0.00   0.00   
1 1 1 60 2  0  f 2.5298  0.7839 ?       ?         0.08   0.00   0.00   0.00   
1 1 1 60 2  1  o 3.6968  0.4734 ?       ?         0.52   0.04   0.00   -0.00  
1 1 1 60 2  2  f 4.1391  0.4438 ?       ?         0.72   -0.70  0.02   -0.01  
1 1 1 60 2  3  o 2.4195  0.6526 ?       ?         0.29   -0.45  -0.01  -0.00  
1 1 1 60 2  4  o 2.7173  0.6879 ?       ?         -0.15  -0.05  -0.00  0.00   
1 1 1 60 2  5  o 1.4049  0.8010 ?       ?         -0.46  -0.12  0.01   0.00   
1 1 1 60 2  6  o 2.9878  0.6179 ?       ?         -0.02  0.05   -0.00  -0.00  
1 1 1 60 2  7  o 4.7127  0.6051 ?       ?         0.44   0.11   -0.00  0.00   
1 1 1 60 2  8  o 1.2229  0.9219 ?       ?         -0.44  0.14   0.00   -0.01  
1 1 1 60 2  9  o 5.5544  0.4615 ?       ?         1.93   -0.92  0.02   0.00   
1 1 1 60 2  10 o 2.8597  0.6989 ?       ?         -0.14  -0.44  -0.00  0.00   
1 1 1 60 3  0  o 2.8636  0.7736 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 60 3  1  o 1.0606  0.8518 ?       ?         -0.52  0.27   -0.00  -0.02  
1 1 1 60 3  2  f 4.8539  0.3841 ?       ?         -0.62  -1.35  -0.02  0.05   
1 1 1 60 3  3  o 3.6281  0.4785 ?       ?         -0.19  -0.39  -0.00  0.00   
1 1 1 60 3  4  o 2.0179  0.7121 ?       ?         -0.17  0.57   -0.01  -0.01  
1 1 1 60 3  5  o 3.6752  0.6098 ?       ?         -1.05  -0.17  0.00   0.01   
1 1 1 60 3  6  o 3.6264  0.5248 ?       ?         -0.01  -1.24  -0.02  0.02   
1 1 1 60 3  7  o 3.4371  0.5943 ?       ?         -0.05  -0.55  -0.00  0.00   
1 1 1 60 3  8  o 3.4903  1.5613 ?       ?         0.17   0.09   0.00   -0.00  
1 1 1 60 3  9  o 2.9680  0.6522 ?       ?         0.11   -0.36  -0.00  -0.00  
1 1 1 60 3  10 o 2.7815  0.7004 ?       ?         -0.65  0.70   -0.00  -0.00  
1 1 1 60 4  0  o 5.5408  0.4647 ?       ?         -1.06  0.00   0.00   0.00   
1 1 1 60 4  1  f 0.0000  1.6802 ?       ?         -0.40  0.13   0.02   -0.02  
1 1 1 60 4  2  o 0.0000  1.6802 ?       ?         0.05   0.46   -0.02  0.01   
1 1 1 60 4  3  o 2.9197  0.9999 ?       ?         0.22   -0.57  -0.01  0.00   
1 1 1 60 4  4  o 4.7261  0.4106 ?       ?         1.21   0.94   -0.02  0.03   
1 1 1 60 4  5  o 2.1217  0.6846 ?       ?         0.37   0.21   0.00   0.00   
1 1 1 60 4  6  o 0.0000  1.7994 ?       ?         -0.14  0.69   -0.02  -0.03  
1 1 1 60 4  7  o 2.9584  0.6145 ?       ?         -0.38  -1.14  -0.00  0.02   
1 1 1 60 4  8  o 1.9367  0.9642 ?       ?         -0.35  0.29   0.00   -0.00  
1 1 1 60 4  9  o 2.7919  1.2799 ?       ?         0.21   0.64   0.00   0.01   
1 1 1 60 4  10 o 3.4100  1.5511 ?       ?         -0.36  -0.81  0.01   0.01   
1 1 1 60 5  0  o 2.5100  0.8092 ?       ?         -0.11  0.00   0.00   0.00   
1 1 1 60 5  1  o 1.4853  0.7435 ?       ?         -0.09  -0.15  -0.00  0.00   
1 1 1 60 5  2  o 1.8905  0.6952 ?       ?         -1.03  0.99   0.03   -0.09  
1 1 1 60 5  3  o 4.4402  0.4820 ?       ?         1.32   -0.61  0.03   0.01   
1 1 1 60 5  4  o 0.0000  1.6872 ?       ?         0.14   -0.10  0.00   -0.00  
1 1 1 60 5  5  f 4.7744  0.4209 ?       ?         -0.81  -0.90  0.02   0.01   
1 1 1 60 5  6  o 2.6177  0.6694 ?       ?         0.64   0.34   0.01   0.01   
1 1 1 60 5  7  o 1.1026  0.8634 ?       ?         0.39   0.37   0.00   0.01   
1 1 1 60 5  8  o 2.5209  1.1452 ?       ?         -0.18  -0.22  0.00   0.00   
1 1 1 60 5  9  o 3.4743  0.6249 ?       ?         1.42   0.95   0.01   0.00   
1 1 1 60 5  10 o 5.1416  1.0334 ?       ?         1.27   -3.87  0.11   -0.01  
1 1 1 60 6  0  o 2.5690  0.8211 ?       ?         -0.24  0.00   0.00   0.00   
1 1 1 60 6  1  o 3.6046  0.9099 ?       ?         -0.39  -0.10  0.00   -0.00  
1 1 1 60 6  2  o 1.9119  0.9192 ?       ?         -0.40  -0.34  0.01   0.01   
1 1 1 60 6  3  o 2.1794  0.8297 ?       ?         -1.11  0.29   0.04   0.01   
1 1 1 60 6  4  o 2.5704  0.6194 ?       ?         -0.56  0.50   -0.01  -0.01  
1 1 1 60 6  5  o 5.7776  0.3587 ?       ?         -0.41  2.78   -0.08  -0.09  
1 1 1 60 6  6  o 3.2504  0.5480 ?       ?         -0.03  1.31   -0.03  0.01   
1 1 1 60 6  7  o 1.9806  0.9747 ?       ?         0.04   -0.12  -0.00  -0.00  
1 1 1 60 6  8  o 1.5013  0.8660 ?       ?         0.36   -0.74  -0.00  -0.01  
1 1 1 60 6  9  o 3.9640  0.5864 ?       ?         -1.08  -1.24  -0.01  0.00   
1 1 1 60 6  10 o 3.1840  0.7516 ?       ?         0.93   -0.28  -0.00  0.00   
1 1 1 60 7  0  f 3.6742  0.6403 ?       ?         0.37   0.00   0.00   0.00   
1 1 1 60 7  1  o 1.2217  0.7954 ?       ?         0.06   -0.49  -0.01  -0.00  
1 1 1 60 7  2  o 4.5403  0.4124 ?       ?         -1.02  -0.48  0.00   0.02   
1 1 1 60 7  3  o 0.0000  1.6950 ?       ?         0.46   0.32   0.01   0.02   
1 1 1 60 7  4  o 0.5472  0.8129 ?       ?         0.01   -0.17  -0.00  0.00   
1 1 1 60 7  5  o 1.1664  0.8712 ?       ?         -0.00  -0.05  -0.00  -0.00  
1 1 1 60 7  6  o 2.7819  0.6375 ?       ?         0.33   0.79   -0.01  0.01   
1 1 1 60 7  7  o 2.1626  1.0557 ?       ?         0.05   0.35   -0.00  -0.00  
1 1 1 60 7  8  o 0.3021  0.7461 ?       ?         -0.13  0.60   -0.01  -0.00  
1 1 1 60 7  9  o 3.7521  1.6626 ?       ?         -0.06  -0.19  -0.00  -0.00  
1 1 1 60 7  10 o 2.0107  1.0516 ?       ?         0.71   0.47   -0.00  -0.00  
1 1 1 60 8  0  f 0.0000  2.3238 ?       ?         -0.01  0.00   0.00   0.00   
1 1 1 60 8  1  o 3.6982  0.4799 ?       ?         0.70   0.36   0.01   -0.00  
1 1 1 60 8  2  o 0.7705  0.8411 ?       ?         -0.32  -0.45  0.01   0.02   
1 1 1 60 8  3  o 5.2340  0.4923 ?       ?         1.66   1.80   -0.06  0.04   
1 1 1 60 8  4  o 3.2235  0.8625 ?       ?         0.05   -0.71  -0.00  0.01   
1 1 1 60 8  5  o 1.7153  0.7776 ?       ?         0.34   -0.28  -0.00  -0.01  
1 1 1 60 8  6  o 2.1739  0.7915 ?       ?         0.18   0.21   -0.00  0.00   
1 1 1 60 8  7  f 2.8067  0.7414 ?       ?         0.26   0.19   0.00   0.00   
1 1 1 60 8  8  o 1.2043  1.0772 ?       ?         -0.67  0.44   0.00   -0.00  
1 1 1 60 8  9  o 3.7176  0.9123 ?       ?         -0.74  -0.69  0.00   -0.00  
1 1 1 60 8  10 o 0.0000  2.7059 ?       ?         0.66   0.77   -0.00  -0.00  
1 1 1 60 9  0  o 4.8374  0.5697 ?       ?         -0.71  0.00   0.00   0.00   
1 1 1 60 9  1  f 4.0762  0.4548 ?       ?         0.86   0.35   0.01   -0.00  
1 1 1 60 9  2  o 1.6722  0.7104 ?       ?         0.53   0.01   0.01   0.00   
1 1 1 60 9  3  o 3.4584  0.4905 ?       ?         -0.02  0.32   -0.00  -0.00  
1 1 1 60 9  4  f 4.8036  0.4110 ?       ?         0.72   0.35   0.01   0.01   
1 1 1 60 9  5  o 3.1149  0.6259 ?       ?         0.63   0.35   0.01   0.00   
1 1 1 60 9  6  o 4.3646  0.5484 ?       ?         -0.75  0.71   -0.00  -0.01  
1 1 1 60 9  7  o 2.0785  1.0200 ?       ?         0.38   -0.45  -0.00  0.00   
1 1 1 60 9  8  o 3.5496  1.0654 ?       ?         0.07   0.48   0.00   0.00   
1 1 1 60 9  9  o 0.7640  1.2084 ?       ?         -1.09  -0.48  -0.00  -0.00  
1 1 1 60 9  10 o 2.3202  1.4469 ?       ?         -0.90  0.51   -0.00  0.01   
1 1 1 60 10 0  o 5.4863  0.5671 ?       ?         -0.65  0.00   0.00   0.00   
1 1 1 60 10 1  o 4.5173  0.4389 ?       ?         0.76   0.17   0.01   -0.00  
1 1 1 60 10 2  o 3.0047  0.6335 ?       ?         0.40   -0.87  -0.01  0.00   
1 1 1 60 10 3  o 5.6303  0.4296 ?       ?         1.81   -0.44  0.03   -0.02  
1 1 1 60 10 4  o 2.6288  0.6565 ?       ?         -0.30  -0.84  -0.01  0.01   
1 1 1 60 10 5  o 4.1542  0.8087 ?       ?         0.42   -0.33  -0.00  -0.00  
1 1 1 60 10 6  o 2.3859  1.1877 ?       ?         0.28   -0.81  -0.00  -0.01  
1 1 1 60 10 7  o 4.9656  0.7099 ?       ?         0.75   2.48   0.01   -0.02  
1 1 1 60 10 8  o 0.0000  2.4980 ?       ?         -0.23  0.42   -0.00  -0.00  
1 1 1 60 10 9  o 4.2124  1.0160 ?       ?         1.99   -0.30  -0.03  0.02   
1 1 1 60 11 0  o 0.0000  2.7928 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 60 11 1  o 3.0251  0.6864 ?       ?         0.34   0.73   -0.00  0.01   
1 1 1 60 11 2  o 4.2691  0.9056 ?       ?         0.90   -0.99  -0.02  0.00   
1 1 1 60 11 3  o 5.1144  0.5025 ?       ?         -1.14  -0.40  0.01   -0.00  
1 1 1 60 11 4  o 2.2640  0.9311 ?       ?         0.02   0.51   -0.00  -0.00  
1 1 1 60 11 5  o 4.5618  0.7378 ?       ?         -1.54  0.15   -0.00  -0.00  
1 1 1 60 11 6  o 4.6567  0.7670 ?       ?         -0.61  -1.97  0.00   -0.02  
1 1 1 60 11 7  o 4.9952  2.2779 ?       ?         0.02   -1.01  0.00   0.00   
1 1 1 60 11 8  o 3.0367  1.4450 ?       ?         -0.35  -0.95  0.00   -0.00  
1 1 1 60 11 9  o 3.5432  0.9557 ?       ?         -1.31  0.24   -0.01  0.01   
1 1 1 60 12 0  o 8.3006  0.6567 ?       ?         -0.35  0.00   0.00   0.00   
1 1 1 60 12 1  o 6.6689  0.5235 ?       ?         -0.57  -0.82  0.00   0.00   
1 1 1 60 12 2  f 0.0000  2.1750 ?       ?         0.52   0.11   0.01   0.01   
1 1 1 60 12 3  f 3.3478  0.8888 ?       ?         0.32   0.45   -0.00  0.00   
1 1 1 60 12 4  o 0.0000  2.2556 ?       ?         -0.05  -0.06  0.00   0.00   
1 1 1 60 12 5  o 4.0580  1.8255 ?       ?         0.71   0.05   -0.00  0.00   
1 1 1 60 12 6  o 0.0000  2.4364 ?       ?         -0.14  -0.27  0.00   -0.00  
1 1 1 60 12 7  o 5.6570  0.7081 ?       ?         -1.87  -0.74  -0.01  -0.01  
1 1 1 60 12 8  o 3.6954  0.9325 ?       ?         -0.08  -0.04  0.00   -0.00  
1 1 1 60 13 0  o 2.6458  1.2366 ?       ?         -0.14  0.00   0.00   0.00   
1 1 1 60 13 1  o 3.7525  0.7326 ?       ?         -0.37  0.45   0.00   -0.00  
1 1 1 60 13 2  o 3.2042  0.8269 ?       ?         -0.32  1.00   -0.01  -0.00  
1 1 1 60 13 3  o 2.8966  0.9389 ?       ?         0.21   -0.78  -0.01  0.00   
1 1 1 60 13 4  o 4.7329  0.7146 ?       ?         -1.04  0.67   0.00   0.00   
1 1 1 60 13 5  o 3.5920  1.7049 ?       ?         -1.03  0.75   -0.01  -0.00  
1 1 1 60 13 6  f 3.4346  0.8913 ?       ?         -0.18  -0.79  0.00   -0.00  
1 1 1 60 13 7  o 4.9667  0.7862 ?       ?         -0.91  0.86   0.00   0.01   
1 1 1 60 13 8  o 0.0000  3.7550 ?       ?         0.35   -0.20  0.00   0.00   
1 1 1 60 14 0  o 4.6583  0.9023 ?       ?         0.37   0.00   0.00   0.00   
1 1 1 60 14 1  o 6.9082  0.5082 ?       ?         0.14   -0.87  -0.00  -0.00  
1 1 1 60 14 2  o 2.6335  0.9372 ?       ?         0.29   0.36   0.00   0.00   
1 1 1 60 14 3  o 3.1664  0.9781 ?       ?         -0.95  -0.58  0.00   -0.00  
1 1 1 60 14 4  o 4.1097  0.7668 ?       ?         0.02   2.28   0.01   0.00   
1 1 1 60 14 5  o 2.2275  1.0396 ?       ?         -0.78  2.07   0.01   0.01   
1 1 1 60 14 6  o 4.7662  0.8061 ?       ?         -0.48  2.41   0.03   -0.00  
1 1 1 60 14 7  o 4.4833  1.6594 ?       ?         0.54   -0.07  0.00   0.00   
1 1 1 60 15 0  o 0.0000  3.1623 ?       ?         0.33   0.00   0.00   0.00   
1 1 1 60 15 1  o 5.6606  0.5969 ?       ?         -2.01  -1.16  0.00   0.01   
1 1 1 60 15 2  o 4.1935  0.8720 ?       ?         -1.19  0.27   0.00   0.01   
1 1 1 60 15 3  o 3.3000  1.4880 ?       ?         0.43   0.11   0.00   -0.00  
1 1 1 60 15 4  o 3.3206  0.8727 ?       ?         -0.81  -0.45  -0.00  -0.00  
1 1 1 60 15 5  o 6.6456  0.6243 ?       ?         2.19   -0.15  -0.01  -0.01  
1 1 1 60 15 6  o 3.8987  1.8232 ?       ?         -0.15  0.46   0.00   0.00   
1 1 1 60 15 7  o 0.0000  4.7117 ?       ?         -0.19  0.72   0.00   0.00   
1 1 1 60 16 0  o 0.0000  3.0166 ?       ?         -0.07  0.00   0.00   0.00   
1 1 1 60 16 1  o 3.2733  0.8455 ?       ?         0.84   0.65   -0.00  0.00   
1 1 1 60 16 2  o 4.0115  1.8222 ?       ?         -0.55  -0.48  0.00   -0.00  
1 1 1 60 16 3  o 0.0000  2.3130 ?       ?         -0.37  -0.05  0.00   0.00   
1 1 1 60 16 4  o 4.9234  0.8791 ?       ?         0.44   -0.93  0.00   0.00   
1 1 1 60 16 5  o 0.0000  3.2631 ?       ?         0.22   0.13   -0.00  -0.00  
1 1 1 60 16 6  o 2.8636  1.8947 ?       ?         -0.08  0.67   0.00   0.00   
1 1 1 60 16 7  o 6.0249  1.4228 ?       ?         0.06   -1.53  0.00   0.00   
1 1 1 60 17 0  o 0.0000  3.3764 ?       ?         -0.23  0.00   0.00   0.00   
1 1 1 60 17 1  o 5.8069  0.7243 ?       ?         -0.28  0.38   0.00   0.00   
1 1 1 60 17 2  o 2.5151  0.9636 ?       ?         -0.90  0.63   -0.00  0.00   
1 1 1 60 17 3  o 4.3399  0.9518 ?       ?         1.57   0.95   -0.00  -0.03  
1 1 1 60 17 4  o 2.1832  1.5745 ?       ?         0.58   -0.23  -0.00  0.00   
1 1 1 60 17 5  o 0.0000  4.4272 ?       ?         0.66   -0.41  0.00   0.00   
1 1 1 60 17 6  o 3.6469  1.7305 ?       ?         0.04   1.08   0.00   0.00   
1 1 1 60 17 7  o 3.4205  1.8442 ?       ?         0.68   -0.50  0.00   0.00   
1 1 1 60 18 0  o 4.8888  1.5623 ?       ?         -0.48  0.00   0.00   0.00   
1 1 1 60 18 1  o 5.8995  1.8144 ?       ?         1.86   1.54   -0.01  -0.05  
1 1 1 60 18 2  o 3.9464  1.8700 ?       ?         -1.10  -1.00  -0.00  -0.02  
1 1 1 60 18 3  o 0.8805  1.4467 ?       ?         -0.47  0.18   -0.00  0.00   
1 1 1 60 18 5  o 1.3416  1.8845 ?       ?         -0.37  -0.96  0.00   0.00   
1 1 1 60 18 6  o 3.5637  1.8310 ?       ?         -0.49  -0.86  0.00   0.00   
1 1 1 60 18 7  o 3.9243  1.7852 ?       ?         0.32   0.63   0.00   0.00   
1 1 1 60 19 0  o 0.0000  4.3932 ?       ?         0.16   0.00   0.00   0.00   
1 1 1 60 19 1  o 4.6926  1.1733 ?       ?         1.69   1.27   -0.01  -0.04  
1 1 1 60 19 2  o 6.7305  1.3601 ?       ?         0.84   -0.76  0.00   0.00   
1 1 1 60 19 5  o 2.6077  1.8240 ?       ?         -1.20  0.10   0.00   0.00   
1 1 1 60 19 6  o 0.0000  4.5166 ?       ?         0.41   -0.35  0.00   0.00   
1 1 1 60 20 0  o 0.0000  4.3474 ?       ?         -0.38  0.00   0.00   0.00   
1 1 1 60 20 1  f 3.1762  1.5292 ?       ?         -1.09  0.08   -0.01  0.00   
1 1 1 60 20 2  o 0.0000  4.3818 ?       ?         0.61   0.07   0.00   0.00   
1 1 1 60 21 0  o 0.0000  4.3474 ?       ?         -0.05  0.00   0.00   0.00   
1 1 1 60 21 1  o 2.9854  1.5090 ?       ?         0.91   0.18   -0.01  -0.00  
1 1 1 60 21 2  o 0.0000  4.4609 ?       ?         0.36   -0.11  0.00   0.00   
1 1 1 61 0  1  o 0.0000  2.3875 ?       ?         -0.05  -0.05  0.00   0.00   
1 1 1 61 0  2  o 2.5298  0.8597 ?       ?         0.05   0.00   0.00   0.00   
1 1 1 61 0  3  o 2.4083  0.8590 ?       ?         0.20   -0.20  0.00   0.00   
1 1 1 61 0  4  o 5.1381  0.5665 ?       ?         -0.00  -1.24  0.00   0.00   
1 1 1 61 0  5  o 0.0000  2.6077 ?       ?         -0.08  -0.08  0.00   0.00   
1 1 1 61 0  6  o 2.9326  0.9128 ?       ?         -0.80  0.00   0.00   0.00   
1 1 1 61 0  7  o 3.0659  0.9286 ?       ?         -0.40  0.40   0.00   0.00   
1 1 1 61 0  8  o 2.9496  0.9005 ?       ?         -0.00  -0.55  0.00   0.00   
1 1 1 61 0  9  o 0.3162  0.9702 ?       ?         0.25   0.25   0.00   0.00   
1 1 1 61 1  0  f 1.0000  1.0437 ?       ?         0.44   0.00   0.00   0.00   
1 1 1 61 1  1  o 1.9354  0.6815 ?       ?         0.86   0.32   0.02   0.01   
1 1 1 61 1  2  o 5.8159  0.4917 ?       ?         -0.66  1.71   0.01   -0.04  
1 1 1 61 1  3  o 2.6437  0.6229 ?       ?         -0.36  0.19   0.00   -0.00  
1 1 1 61 1  4  o 2.6409  0.7049 ?       ?         -0.34  0.07   0.00   0.00   
1 1 1 61 1  5  o 4.0337  0.7164 ?       ?         -1.18  1.30   0.03   -0.01  
1 1 1 61 1  6  o 3.4210  1.5337 ?       ?         0.33   -0.42  0.01   -0.00  
1 1 1 61 1  7  o 4.3525  0.6836 ?       ?         0.47   0.29   0.00   -0.00  
1 1 1 61 1  8  o 3.1767  0.6307 ?       ?         -0.80  -0.68  0.00   0.00   
1 1 1 61 1  9  o 1.3179  0.9422 ?       ?         -1.20  -0.66  0.00   0.01   
1 1 1 61 2  0  o 2.5100  0.7982 ?       ?         -0.29  0.00   0.00   0.00   
1 1 1 61 2  1  o 3.2398  0.8139 ?       ?         0.51   -0.70  -0.01  0.00   
1 1 1 61 2  2  o 4.5581  0.3991 ?       ?         -0.10  0.13   -0.00  -0.00  
1 1 1 61 2  3  o 2.2429  0.7246 ?       ?         0.45   0.58   -0.02  0.01   
1 1 1 61 2  4  o 1.8911  0.9026 ?       ?         -0.48  0.14   0.00   -0.01  
1 1 1 61 2  5  o 0.0000  1.8367 ?       ?         0.25   -0.69  -0.01  -0.01  
1 1 1 61 2  6  o 3.1677  0.6506 ?       ?         -0.05  0.31   -0.00  0.00   
1 1 1 61 2  7  o 0.6441  0.8645 ?       ?         -0.11  0.75   -0.01  -0.01  
1 1 1 61 2  8  o 3.9625  0.5730 ?       ?         1.49   -0.35  0.00   -0.00  
1 1 1 61 2  9  o 1.1462  0.9738 ?       ?         -0.77  0.71   0.00   -0.00  
1 1 1 61 3  0  o 2.1909  0.8748 ?       ?         -0.25  0.00   0.00   0.00   
1 1 1 61 3  1  o 0.8581  0.8289 ?       ?         0.01   0.69   -0.02  -0.01  
1 1 1 61 3  2  o 4.1283  0.4372 ?       ?         -0.02  0.51   -0.00  -0.00  
1 1 1 61 3  3  o 2.4314  0.6090 ?       ?         -0.20  0.62   -0.01  -0.01  
1 1 1 61 3  4  o 2.7285  1.2643 ?       ?         0.27   -0.23  0.00   -0.00  
1 1 1 61 3  5  o 3.5258  0.6756 ?       ?         -0.75  -0.38  -0.00  0.01   
1 1 1 61 3  6  o 3.6101  1.6140 ?       ?         -0.46  -0.01  -0.00  0.00   
1 1 1 61 3  7  o 0.8348  0.8684 ?       ?         -0.29  -0.13  0.00   0.00   
1 1 1 61 3  8  o 1.3578  1.0027 ?       ?         0.20   0.36   -0.00  0.00   
1 1 1 61 3  9  o 1.8037  0.8882 ?       ?         0.02   -0.12  -0.00  -0.00  
1 1 1 61 4  0  o 3.7683  0.6481 ?       ?         0.02   0.00   0.00   0.00   
1 1 1 61 4  1  o 1.8891  0.7211 ?       ?         0.77   0.69   0.03   0.03   
1 1 1 61 4  2  o 2.5198  0.6142 ?       ?         0.00   0.39   -0.00  -0.00  
1 1 1 61 4  3  o 2.8865  0.5747 ?       ?         -0.32  0.31   -0.00  -0.00  
1 1 1 61 4  4  o 1.1074  0.8761 ?       ?         0.01   0.17   -0.00  -0.00  
1 1 1 61 4  5  o 2.6910  0.7606 ?       ?         0.81   0.21   0.01   -0.00  
1 1 1 61 4  6  o 1.6616  0.9230 ?       ?         0.67   0.52   -0.00  0.02   
1 1 1 61 4  7  o 3.1526  0.7481 ?       ?         1.78   -0.14  -0.01  -0.02  
1 1 1 61 4  8  o 2.1283  0.9931 ?       ?         -0.53  0.68   -0.00  -0.00  
1 1 1 61 4  9  o 1.2825  0.9836 ?       ?         -0.32  -0.82  -0.01  0.00   
1 1 1 61 5  0  o 0.0000  2.3664 ?       ?         -0.53  0.00   0.00   0.00   
1 1 1 61 5  1  o 1.9085  0.7206 ?       ?         -0.31  -0.02  0.00   -0.00  
1 1 1 61 5  2  o 3.8787  0.4728 ?       ?         0.58   -0.29  0.00   -0.01  
1 1 1 61 5  3  o 2.1778  1.0374 ?       ?         -0.10  0.94   -0.01  0.05   
1 1 1 61 5  4  o 1.3029  0.7896 ?       ?         -0.10  0.09   -0.00  -0.00  
1 1 1 61 5  5  o 3.5365  0.5760 ?       ?         0.94   -0.73  0.01   -0.01  
1 1 1 61 5  6  o 2.4161  0.7542 ?       ?         0.90   -1.58  -0.00  -0.01  
1 1 1 61 5  7  o 2.6290  0.8094 ?       ?         1.49   -0.42  -0.00  -0.01  
1 1 1 61 5  8  o 3.8136  0.6669 ?       ?         1.81   -0.39  -0.01  -0.01  
1 1 1 61 5  9  o 2.9065  0.8083 ?       ?         0.66   -0.46  -0.00  0.00   
1 1 1 61 6  0  o 5.2345  0.5269 ?       ?         0.43   0.00   0.00   0.00   
1 1 1 61 6  1  o 2.8353  0.8260 ?       ?         0.20   1.14   -0.03  -0.03  
1 1 1 61 6  2  o 0.0000  1.7464 ?       ?         -0.16  -0.07  0.00   0.00   
1 1 1 61 6  3  o 3.6654  0.8233 ?       ?         -0.78  -0.54  -0.02  0.01   
1 1 1 61 6  4  o 5.7814  0.3760 ?       ?         0.98   2.30   -0.04  0.05   
1 1 1 61 6  5  o 4.6080  0.8608 ?       ?         1.12   1.93   -0.03  -0.03  
1 1 1 61 6  6  o 1.3824  0.8576 ?       ?         -0.17  -0.87  -0.01  0.00   
1 1 1 61 6  7  o 2.3254  1.1000 ?       ?         -0.06  -0.80  -0.00  0.00   
1 1 1 61 6  8  o 1.7176  1.0440 ?       ?         -0.21  0.52   -0.00  -0.00  
1 1 1 61 6  9  o 5.7837  1.6706 ?       ?         3.01   -1.17  -0.03  0.08   
1 1 1 61 7  0  o 1.9748  0.9236 ?       ?         -0.12  0.00   0.00   0.00   
1 1 1 61 7  1  o 2.8339  0.7341 ?       ?         -0.31  -0.43  -0.01  0.00   
1 1 1 61 7  2  o 2.6292  0.5984 ?       ?         0.74   0.03   0.01   -0.00  
1 1 1 61 7  3  o 3.4784  0.6190 ?       ?         -0.05  -0.02  -0.00  0.00   
1 1 1 61 7  4  o 2.1610  0.7276 ?       ?         -0.63  -0.77  -0.01  0.01   
1 1 1 61 7  5  o 1.5728  0.9033 ?       ?         -0.03  -0.12  -0.00  0.00   
1 1 1 61 7  6  o 4.1910  0.6360 ?       ?         -0.55  0.18   -0.00  0.00   
1 1 1 61 7  7  f 2.5040  1.1379 ?       ?         -0.35  0.57   -0.00  0.00   
1 1 1 61 7  8  o 3.9875  1.7115 ?       ?         0.29   -0.76  0.00   0.00   
1 1 1 61 7  9  o 3.7247  1.0912 ?       ?         1.22   0.69   -0.01  -0.01  
1 1 1 61 8  0  o 5.3385  0.5722 ?       ?         0.26   0.00   0.00   0.00   
1 1 1 61 8  1  o 2.9246  0.6898 ?       ?         0.22   0.48   -0.00  0.00   
1 1 1 61 8  2  o 4.8733  0.4740 ?       ?         0.72   -0.84  -0.01  -0.01  
1 1 1 61 8  3  o 0.2598  0.7088 ?       ?         0.03   0.09   -0.00  0.00   
1 1 1 61 8  4  o 3.6665  0.5837 ?       ?         0.05   -0.72  -0.00  0.00   
1 1 1 61 8  5  o 0.0000  1.9808 ?       ?         -0.37  0.50   0.00   -0.01  
1 1 1 61 8  6  o 2.7121  1.2239 ?       ?         -1.12  -0.92  0.01   -0.00  
1 1 1 61 8  7  o 2.5298  1.2810 ?       ?         -0.68  -0.42  0.00   0.00   
1 1 1 61 8  8  o 2.6458  1.8243 ?       ?         -0.57  0.56   0.00   0.00   
1 1 1 61 9  0  o 7.4565  0.5772 ?       ?         2.56   0.00   0.00   0.00   
1 1 1 61 9  1  o 3.8478  0.5847 ?       ?         -0.05  0.24   -0.00  -0.00  
1 1 1 61 9  2  o 2.2229  1.0669 ?       ?         -0.07  0.34   -0.00  -0.00  
1 1 1 61 9  3  o 2.5150  0.7967 ?       ?         0.57   -1.37  -0.01  -0.01  
1 1 1 61 9  4  o 3.6422  0.6442 ?       ?         -0.21  0.03   0.00   0.00   
1 1 1 61 9  5  o 3.1231  1.4274 ?       ?         0.43   1.50   -0.00  -0.01  
1 1 1 61 9  6  o 4.0457  1.8737 ?       ?         0.13   1.29   0.01   0.00   
1 1 1 61 9  7  o 1.8166  1.3378 ?       ?         -0.70  0.30   0.00   0.00   
1 1 1 61 9  8  o 0.0000  3.1623 ?       ?         -0.49  0.41   0.00   0.00   
1 1 1 61 10 0  o 3.5071  0.7958 ?       ?         -0.05  0.00   0.00   0.00   
1 1 1 61 10 1  o 3.2354  0.7673 ?       ?         0.45   -1.41  -0.00  -0.00  
1 1 1 61 10 2  o 4.8392  0.9901 ?       ?         -0.91  -0.44  0.00   -0.01  
1 1 1 61 10 3  o 3.9742  0.6884 ?       ?         0.52   1.10   -0.00  -0.00  
1 1 1 61 10 4  o 3.9563  0.7265 ?       ?         0.43   -0.98  0.00   -0.00  
1 1 1 61 10 5  o 3.9634  0.8292 ?       ?         1.04   -0.38  -0.00  0.01   
1 1 1 61 10 6  f 2.2530  1.1329 ?       ?         0.59   0.69   -0.00  -0.00  
1 1 1 61 10 7  o 3.1305  1.0688 ?       ?         -0.91  0.80   0.00   0.00   
1 1 1 61 10 8  o 0.0000  4.3128 ?       ?         1.01   -1.04  0.00   0.00   
1 1 1 61 11 0  o 4.6043  0.9390 ?       ?         0.26   0.00   0.00   0.00   
1 1 1 61 11 1  o 2.6910  0.8974 ?       ?         0.18   -0.26  -0.00  -0.00  
1 1 1 61 11 2  o 4.2898  0.7152 ?       ?         0.01   1.50   0.00   -0.00  
1 1 1 61 11 3  o 0.0000  2.2965 ?       ?         -0.22  0.08   0.00   -0.00  
1 1 1 61 11 4  o 1.9294  1.1266 ?       ?         0.38   0.38   0.00   0.00   
1 1 1 61 11 5  o 3.4426  0.8514 ?       ?         -0.75  0.19   -0.00  0.00   
1 1 1 61 11 6  o 2.7038  1.0133 ?       ?         -0.12  -0.69  0.00   0.00   
1 1 1 61 11 7  o 0.0000  4.3589 ?       ?         -0.71  0.39   0.00   0.00   
1 1 1 61 12 0  o 3.7550  1.0563 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 61 12 1  o 4.9465  0.7292 ?       ?         0.72   -0.05  -0.00  0.00   
1 1 1 61 12 2  o 3.6796  1.6828 ?       ?         -0.03  0.58   0.00   -0.00  
1 1 1 61 12 3  o 1.5946  1.0617 ?       ?         -0.23  -0.69  0.00   0.00   
1 1 1 61 12 4  f 4.6465  0.6933 ?       ?         0.24   -1.37  0.01   0.00   
1 1 1 61 12 5  o 3.4388  1.1065 ?       ?         0.42   -0.57  0.00   0.00   
1 1 1 61 12 6  f 2.0465  1.2767 ?       ?         -0.30  1.08   0.00   0.00   
1 1 1 61 13 0  o 6.3246  0.7386 ?       ?         -0.38  0.00   0.00   0.00   
1 1 1 61 13 1  o 2.6890  0.9248 ?       ?         0.19   0.59   -0.00  -0.00  
1 1 1 61 13 2  o 2.5278  1.2159 ?       ?         -0.86  -0.21  0.00   -0.00  
1 1 1 61 13 3  o 3.6114  1.6570 ?       ?         -1.11  1.96   -0.01  0.02   
1 1 1 61 13 4  o 2.0980  1.0240 ?       ?         -0.40  1.02   0.00   0.00   
1 1 1 61 13 5  o 3.7824  1.6817 ?       ?         -0.30  -0.97  0.00   -0.01  
1 1 1 61 13 6  o 4.6024  0.9056 ?       ?         0.06   -1.50  0.01   -0.00  
1 1 1 61 14 0  o 5.9749  0.7197 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 61 14 1  o 3.1634  0.9353 ?       ?         -0.42  0.94   0.00   0.00   
1 1 1 61 14 2  o 1.9878  1.1282 ?       ?         0.87   0.23   -0.00  -0.00  
1 1 1 61 14 3  o 0.5253  1.0086 ?       ?         -0.40  -0.25  -0.00  0.00   
1 1 1 61 14 4  o 2.0153  1.1349 ?       ?         -0.11  1.49   -0.00  0.00   
1 1 1 61 14 5  o 5.0415  0.7931 ?       ?         1.06   0.52   -0.00  -0.01  
1 1 1 61 14 6  o 0.0000  4.4159 ?       ?         -0.94  -0.45  0.00   0.00   
1 1 1 61 15 0  o 0.0000  3.2249 ?       ?         0.02   0.00   0.00   0.00   
1 1 1 61 15 1  o 4.3684  0.7244 ?       ?         0.12   0.38   0.00   -0.00  
1 1 1 61 15 2  o 5.3308  0.7189 ?       ?         1.61   -0.31  -0.00  0.01   
1 1 1 61 15 3  o 6.1328  0.5712 ?       ?         1.78   2.88   -0.02  -0.03  
1 1 1 61 15 4  o 2.0019  1.3772 ?       ?         -0.92  -0.93  0.00   -0.01  
1 1 1 61 15 5  o 3.1611  1.4130 ?       ?         -0.56  -0.22  -0.00  -0.00  
1 1 1 61 15 6  o 0.0000  4.4609 ?       ?         -0.15  -0.32  0.00   0.00   
1 1 1 61 16 0  o 5.4498  1.0581 ?       ?         1.77   0.00   0.00   0.00   
1 1 1 61 16 1  o 2.7326  1.4770 ?       ?         -0.34  1.32   0.01   0.01   
1 1 1 61 16 2  o 3.6596  1.7379 ?       ?         0.92   -0.45  -0.01  0.01   
1 1 1 61 16 3  o 5.8907  1.3996 ?       ?         -0.09  -0.43  0.00   0.00   
1 1 1 61 16 4  o 5.3009  1.4391 ?       ?         0.21   0.45   0.00   0.00   
1 1 1 61 16 5  o 2.8284  1.7851 ?       ?         -0.10  0.27   0.00   0.00   
1 1 1 61 16 6  o 5.0100  1.6365 ?       ?         -0.99  -1.88  0.00   0.00   
1 1 1 61 17 0  o 0.0000  4.2661 ?       ?         -0.04  0.00   0.00   0.00   
1 1 1 61 17 1  o 0.0000  3.1613 ?       ?         0.05   0.26   0.00   -0.00  
1 1 1 61 17 2  o 1.7607  1.9376 ?       ?         1.35   -0.17  0.00   0.00   
1 1 1 61 17 4  o 2.0000  1.9388 ?       ?         -0.14  -0.49  0.00   0.00   
1 1 1 61 17 5  o 0.0000  4.4497 ?       ?         0.52   0.84   0.00   0.00   
1 1 1 61 18 0  o 7.0000  1.2694 ?       ?         0.32   0.00   0.00   0.00   
1 1 1 61 18 1  o 0.0000  3.1383 ?       ?         -0.83  -0.05  -0.00  -0.00  
1 1 1 61 18 2  o 0.0000  4.3012 ?       ?         -1.04  -0.37  0.00   0.00   
1 1 1 61 18 4  o 0.0000  4.2426 ?       ?         -0.04  -0.72  0.00   0.00   
1 1 1 61 19 0  o 3.3615  1.7681 ?       ?         -0.59  0.00   0.00   0.00   
1 1 1 61 19 1  o 3.9944  1.8699 ?       ?         -0.28  -0.70  0.00   -0.00  
1 1 1 61 20 0  o 4.1473  1.5229 ?       ?         -0.25  0.00   0.00   0.00   
1 1 1 61 20 1  o 3.5637  1.7332 ?       ?         0.27   -0.47  0.00   0.00   
1 1 1 62 0  0  o 7.2250  0.5693 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 62 0  1  o 3.0659  0.7115 ?       ?         -0.43  0.43   0.00   0.00   
1 1 1 62 0  2  o 1.3038  1.0186 ?       ?         0.00   0.04   0.00   0.00   
1 1 1 62 0  3  o 0.0000  2.7568 ?       ?         0.02   0.02   0.00   0.00   
1 1 1 62 0  4  o 1.4491  1.1375 ?       ?         -0.19  0.00   0.00   0.00   
1 1 1 62 0  5  o 2.1448  1.0289 ?       ?         0.23   -0.23  0.00   0.00   
1 1 1 62 0  6  o 0.0000  2.9326 ?       ?         -0.00  -0.17  0.00   0.00   
1 1 1 62 0  7  o 3.4351  1.6224 ?       ?         -0.17  -0.17  0.00   0.00   
1 1 1 62 0  8  o 2.0494  1.2030 ?       ?         0.07   0.00   0.00   0.00   
1 1 1 62 1  0  o 0.0000  2.4083 ?       ?         0.21   0.00   0.00   0.00   
1 1 1 62 1  1  o 3.1025  0.5464 ?       ?         -0.57  0.91   -0.01  -0.00  
1 1 1 62 1  2  o 2.3365  0.6741 ?       ?         0.97   0.03   0.01   -0.01  
1 1 1 62 1  3  o 4.0228  0.5473 ?       ?         0.26   0.80   -0.00  -0.00  
1 1 1 62 1  4  o 1.7792  0.8731 ?       ?         0.59   0.70   -0.00  0.00   
1 1 1 62 1  5  o 1.6217  0.9289 ?       ?         0.44   -0.53  0.00   -0.00  
1 1 1 62 1  6  o 3.5437  0.7519 ?       ?         -0.62  -1.11  -0.01  -0.01  
1 1 1 62 1  7  o 4.0071  0.9465 ?       ?         0.32   -2.63  0.02   0.02   
1 1 1 62 1  8  o 4.8365  0.6207 ?       ?         -1.35  0.75   -0.01  0.00   
1 1 1 62 2  0  o 1.8974  0.9262 ?       ?         -0.11  0.00   0.00   0.00   
1 1 1 62 2  1  o 1.2658  0.8614 ?       ?         -0.19  0.62   -0.02  0.00   
1 1 1 62 2  2  o 3.6047  1.6137 ?       ?         0.61   0.29   -0.01  0.00   
1 1 1 62 2  3  o 3.9885  0.4794 ?       ?         1.25   -1.65  -0.01  -0.03  
1 1 1 62 2  4  o 3.4587  0.6219 ?       ?         -0.68  -1.69  -0.01  -0.01  
1 1 1 62 2  5  o 2.4678  1.1474 ?       ?         0.11   0.42   -0.00  0.00   
1 1 1 62 2  6  f 4.7493  0.6483 ?       ?         0.19   0.32   0.00   -0.00  
1 1 1 62 2  7  o 2.7125  0.8619 ?       ?         -0.09  -1.31  0.01   -0.00  
1 1 1 62 2  8  o 3.1181  0.8288 ?       ?         1.36   -1.72  -0.01  0.02   
1 1 1 62 3  0  o 0.0000  2.3875 ?       ?         0.33   0.00   0.00   0.00   
1 1 1 62 3  1  f 0.0000  1.6955 ?       ?         -0.41  0.27   0.01   -0.01  
1 1 1 62 3  2  o 2.9820  0.5600 ?       ?         -0.14  0.29   -0.00  -0.00  
1 1 1 62 3  3  o 3.1511  0.5823 ?       ?         -0.53  -0.12  0.00   0.00   
1 1 1 62 3  4  o 3.6376  0.5349 ?       ?         1.37   -0.51  0.00   -0.01  
1 1 1 62 3  5  o 2.2195  0.7466 ?       ?         0.13   0.05   0.00   0.00   
1 1 1 62 3  6  o 1.4963  1.0647 ?       ?         0.70   -0.67  -0.00  -0.00  
1 1 1 62 3  7  o 3.0439  0.8486 ?       ?         -0.83  0.90   0.00   0.01   
1 1 1 62 3  8  o 4.6260  1.1477 ?       ?         -2.19  -1.40  0.00   0.00   
1 1 1 62 4  0  o 0.0000  2.4290 ?       ?         0.24   0.00   0.00   0.00   
1 1 1 62 4  1  o 3.0688  0.9409 ?       ?         0.70   -0.35  -0.01  -0.01  
1 1 1 62 4  2  o 3.5710  0.7795 ?       ?         0.63   -0.34  -0.01  -0.00  
1 1 1 62 4  3  o 2.7924  0.5805 ?       ?         -0.16  -0.25  0.00   0.00   
1 1 1 62 4  4  o 1.4072  0.8537 ?       ?         0.58   -0.54  0.01   -0.01  
1 1 1 62 4  5  o 1.6919  0.9220 ?       ?         0.03   0.71   -0.00  0.00   
1 1 1 62 4  6  o 3.9035  0.7626 ?       ?         -0.23  -0.24  -0.00  -0.00  
1 1 1 62 4  7  o 3.5795  0.9139 ?       ?         1.99   0.56   -0.02  -0.01  
1 1 1 62 5  0  o 4.1110  0.5993 ?       ?         0.04   0.00   0.00   0.00   
1 1 1 62 5  1  o 1.9248  0.9127 ?       ?         -0.60  0.20   0.01   0.00   
1 1 1 62 5  2  o 2.0734  0.6986 ?       ?         -0.17  -0.71  -0.01  0.01   
1 1 1 62 5  3  o 0.3190  0.7231 ?       ?         -0.39  -0.16  0.00   0.00   
1 1 1 62 5  4  o 2.1603  0.7954 ?       ?         0.33   -1.55  -0.02  0.00   
1 1 1 62 5  5  o 2.3361  0.8852 ?       ?         0.80   0.37   -0.00  0.00   
1 1 1 62 5  6  o 1.8993  1.0661 ?       ?         0.71   0.28   0.00   0.00   
1 1 1 62 5  7  o 1.9552  1.2121 ?       ?         -0.85  0.42   -0.00  0.00   
1 1 1 62 6  0  o 3.8859  0.7350 ?       ?         0.16   0.00   0.00   0.00   
1 1 1 62 6  1  o 2.5241  1.0898 ?       ?         -0.15  -0.37  -0.00  -0.00  
1 1 1 62 6  2  f 5.8597  0.4029 ?       ?         -0.71  -1.59  -0.00  0.02   
1 1 1 62 6  3  o 3.6738  0.7431 ?       ?         -1.06  1.91   0.02   -0.01  
1 1 1 62 6  4  o 2.1063  1.0052 ?       ?         1.45   0.20   0.01   -0.01  
1 1 1 62 6  5  o 2.9444  0.8483 ?       ?         0.13   -1.00  -0.00  0.00   
1 1 1 62 6  6  o 3.9559  0.9991 ?       ?         0.73   0.99   0.00   -0.01  
1 1 1 62 6  7  o 3.5637  1.2031 ?       ?         0.86   1.11   0.00   0.00   
1 1 1 62 7  0  o 6.4420  0.5488 ?       ?         -2.74  0.00   0.00   0.00   
1 1 1 62 7  1  o 5.2976  0.9913 ?       ?         1.59   -3.40  0.07   -0.05  
1 1 1 62 7  2  o 2.6878  1.2392 ?       ?         0.45   -0.14  -0.00  -0.00  
1 1 1 62 7  3  o 1.4569  0.9202 ?       ?         -0.86  -0.26  0.01   0.00   
1 1 1 62 7  4  o 1.8124  1.0117 ?       ?         -0.19  -0.47  0.00   0.00   
1 1 1 62 7  5  o 5.2810  0.6236 ?       ?         -1.02  0.33   -0.00  -0.00  
1 1 1 62 7  6  f 3.2625  1.6897 ?       ?         -0.01  0.16   0.00   0.00   
1 1 1 62 7  7  o 3.1464  1.3052 ?       ?         0.78   0.15   0.00   0.00   
1 1 1 62 8  0  o 3.3015  1.1147 ?       ?         0.37   0.00   0.00   0.00   
1 1 1 62 8  1  o 3.4083  0.7146 ?       ?         -1.73  0.86   -0.02  -0.00  
1 1 1 62 8  2  o 3.6833  1.1024 ?       ?         -0.47  -0.90  0.01   0.00   
1 1 1 62 8  3  o 0.9851  1.0692 ?       ?         0.36   0.22   0.00   -0.00  
1 1 1 62 8  4  o 6.7468  0.7515 ?       ?         0.42   4.70   0.10   0.05   
1 1 1 62 8  5  o 1.9131  1.4528 ?       ?         -0.06  -0.70  0.00   -0.00  
1 1 1 62 8  6  o 2.5909  1.1411 ?       ?         0.04   0.06   0.00   -0.00  
1 1 1 62 9  0  o 0.0000  3.1623 ?       ?         -0.01  0.00   0.00   0.00   
1 1 1 62 9  1  o 3.3211  0.7455 ?       ?         1.54   -0.22  -0.01  -0.00  
1 1 1 62 9  2  o 2.8375  1.3047 ?       ?         0.29   1.50   0.01   0.01   
1 1 1 62 9  3  o 0.4660  0.9947 ?       ?         0.76   0.78   0.00   0.00   
1 1 1 62 9  4  o 3.6122  1.6185 ?       ?         -0.43  0.64   -0.00  0.00   
1 1 1 62 9  5  o 1.4358  1.2154 ?       ?         0.80   -0.34  0.00   0.00   
1 1 1 62 9  6  o 0.9289  1.3500 ?       ?         -0.85  0.80   0.00   0.01   
1 1 1 62 10 0  f 5.4955  0.8834 ?       ?         -1.72  0.00   0.00   0.00   
1 1 1 62 10 1  o 1.4779  1.0803 ?       ?         -0.58  1.18   0.00   0.00   
1 1 1 62 10 2  o 4.1632  1.8747 ?       ?         0.89   -0.39  0.00   0.01   
1 1 1 62 10 3  o 0.0000  2.3202 ?       ?         1.21   -0.54  -0.00  -0.00  
1 1 1 62 10 4  o 1.0775  1.2534 ?       ?         -0.41  1.00   0.00   0.00   
1 1 1 62 10 5  o 3.1204  0.9937 ?       ?         0.48   -0.28  -0.00  0.00   
1 1 1 62 10 6  f 0.0000  3.4351 ?       ?         -0.26  -0.58  0.00   0.00   
1 1 1 62 11 0  o 6.2610  0.7509 ?       ?         1.08   0.00   0.00   0.00   
1 1 1 62 11 1  o 0.4703  0.9959 ?       ?         -0.75  0.01   0.00   0.00   
1 1 1 62 11 2  o 3.1816  1.4795 ?       ?         -0.19  0.30   -0.00  0.00   
1 1 1 62 11 3  o 2.4317  1.0272 ?       ?         0.75   0.18   -0.00  -0.00  
1 1 1 62 11 4  o 4.0187  0.8107 ?       ?         1.03   1.40   0.01   -0.01  
1 1 1 62 11 5  o 4.7533  0.8087 ?       ?         0.01   2.12   0.03   -0.00  
1 1 1 62 11 6  o 3.0659  1.2891 ?       ?         0.63   -0.16  0.00   0.00   
1 1 1 62 12 0  o 0.0000  2.9496 ?       ?         0.21   0.00   0.00   0.00   
1 1 1 62 12 1  f 2.7507  0.9385 ?       ?         0.21   -1.05  0.00   0.00   
1 1 1 62 12 2  f 3.6633  0.7310 ?       ?         0.29   0.04   -0.00  0.00   
1 1 1 62 12 3  o 0.5100  1.0315 ?       ?         -0.02  -0.52  0.00   0.00   
1 1 1 62 12 4  f 0.6391  1.0956 ?       ?         0.08   -1.32  0.00   0.00   
1 1 1 62 12 5  o 4.9989  0.8225 ?       ?         1.02   1.77   0.02   -0.02  
1 1 1 62 13 0  o 1.1402  1.4093 ?       ?         0.17   0.00   0.00   0.00   
1 1 1 62 13 1  o 2.3677  1.1339 ?       ?         -1.50  0.39   -0.00  -0.00  
1 1 1 62 13 2  o 2.5128  0.9415 ?       ?         0.93   -1.52  0.00   0.01   
1 1 1 62 13 3  f 4.3299  0.7511 ?       ?         -0.18  0.75   0.00   0.00   
1 1 1 62 13 4  o 1.6318  1.1220 ?       ?         0.07   -0.13  0.00   0.00   
1 1 1 62 13 5  o 4.2308  1.0217 ?       ?         -0.35  -0.49  0.00   0.00   
1 1 1 62 14 0  o 3.9497  1.0414 ?       ?         1.06   0.00   0.00   0.00   
1 1 1 62 14 1  o 1.5580  1.1307 ?       ?         -0.15  -0.49  -0.00  -0.00  
1 1 1 62 14 2  o 3.4679  1.6039 ?       ?         0.15   0.61   -0.00  -0.00  
1 1 1 62 14 3  o 4.1833  1.0437 ?       ?         -0.71  -1.02  0.00   0.00   
1 1 1 62 14 4  o 4.2779  1.4882 ?       ?         0.27   -1.41  0.00   0.00   
1 1 1 62 15 0  o 0.0000  4.3589 ?       ?         -0.09  0.00   0.00   0.00   
1 1 1 62 15 1  o 0.0000  4.5607 ?       ?         0.68   0.03   0.00   0.00   
1 1 1 62 15 2  o 0.0000  4.3818 ?       ?         -0.11  -0.24  0.00   0.00   
1 1 1 62 15 3  o 3.9370  1.5717 ?       ?         -2.44  -0.32  0.00   0.00   
1 1 1 62 16 0  o 1.7889  1.9169 ?       ?         0.33   0.00   0.00   0.00   
1 1 1 62 16 1  o 0.0000  4.4045 ?       ?         -0.73  -0.22  0.00   0.00   
1 1 1 62 16 2  o 4.0743  1.5478 ?       ?         0.43   -0.19  0.00   0.00   
1 1 1 62 16 3  o 0.0000  4.3243 ?       ?         -0.75  -0.27  0.00   0.00   
1 1 1 62 17 0  o 0.0000  4.3243 ?       ?         -0.37  0.00   0.00   0.00   
1 1 1 62 17 1  f 6.1887  1.1762 ?       ?         0.90   -0.58  0.00   0.00   
1 1 1 62 17 2  o 2.6077  1.7039 ?       ?         0.06   0.80   0.00   0.00   
1 1 1 63 0  1  o 0.0000  2.8107 ?       ?         -0.02  -0.02  0.00   0.00   
1 1 1 63 0  2  o 2.1909  1.0307 ?       ?         -0.01  0.00   0.00   0.00   
1 1 1 63 0  3  o 1.5492  1.3831 ?       ?         -0.17  0.17   0.00   0.00   
1 1 1 63 0  4  o 0.0000  2.8107 ?       ?         -0.00  -0.48  0.00   0.00   
1 1 1 63 0  5  o 0.0000  2.5884 ?       ?         -0.32  -0.32  0.00   0.00   
1 1 1 63 1  0  f 3.0331  0.9059 ?       ?         0.67   0.00   0.00   0.00   
1 1 1 63 1  1  o 2.2698  0.7297 ?       ?         0.26   -0.32  0.00   -0.00  
1 1 1 63 1  2  f 2.6117  0.7201 ?       ?         0.22   -1.03  -0.00  -0.00  
1 1 1 63 1  3  o 3.9896  0.6613 ?       ?         -1.39  -0.49  -0.01  0.00   
1 1 1 63 1  4  o 3.7727  0.7265 ?       ?         0.02   0.10   0.00   -0.00  
1 1 1 63 1  5  o 4.3511  0.6007 ?       ?         0.20   -2.21  0.01   0.02   
1 1 1 63 1  6  o 0.0000  4.0743 ?       ?         0.08   -0.37  0.00   0.00   
1 1 1 63 2  0  o 3.7283  0.8009 ?       ?         -1.18  0.00   0.00   0.00   
1 1 1 63 2  1  o 0.0000  1.9170 ?       ?         0.35   0.41   -0.00  0.00   
1 1 1 63 2  2  o 0.0000  1.9206 ?       ?         -0.08  -0.44  -0.00  -0.00  
1 1 1 63 2  3  o 2.3755  0.7929 ?       ?         -0.95  -0.72  0.00   0.00   
1 1 1 63 2  4  o 4.6440  0.6190 ?       ?         0.42   1.17   0.01   0.00   
1 1 1 63 2  5  o 1.6415  1.0375 ?       ?         -1.17  -0.99  0.00   -0.00  
1 1 1 63 2  6  o 0.8367  1.3244 ?       ?         0.42   -0.94  0.00   0.00   
1 1 1 63 3  0  f 3.1937  0.7843 ?       ?         0.01   0.00   0.00   0.00   
1 1 1 63 3  1  o 2.3462  1.1201 ?       ?         -0.46  -0.52  0.00   0.00   
1 1 1 63 3  2  o 2.3716  0.7216 ?       ?         -0.19  1.11   -0.00  -0.00  
1 1 1 63 3  3  o 3.1503  1.4095 ?       ?         -0.73  0.19   -0.00  -0.00  
1 1 1 63 3  4  o 3.9006  1.8989 ?       ?         0.62   1.31   -0.00  -0.01  
1 1 1 63 3  5  o 0.0000  2.3202 ?       ?         -1.71  -0.84  -0.00  -0.00  
1 1 1 63 3  6  o 2.5690  1.6848 ?       ?         1.01   0.40   0.00   0.00   
1 1 1 63 4  0  o 3.4059  0.8749 ?       ?         -0.48  0.00   0.00   0.00   
1 1 1 63 4  1  o 5.0099  0.5318 ?       ?         -1.68  -1.91  -0.02  -0.00  
1 1 1 63 4  2  o 1.2709  0.9443 ?       ?         0.26   -0.77  -0.00  -0.00  
1 1 1 63 4  3  o 2.0400  0.8347 ?       ?         -0.34  -0.82  -0.00  0.00   
1 1 1 63 4  4  o 2.9220  0.8761 ?       ?         0.52   0.90   -0.00  -0.00  
1 1 1 63 4  5  o 1.0161  1.1709 ?       ?         0.99   1.18   0.00   -0.01  
1 1 1 63 4  6  o 0.0000  3.3615 ?       ?         0.46   0.52   0.00   0.00   
1 1 1 63 5  0  o 4.2308  0.7352 ?       ?         -0.86  0.00   0.00   0.00   
1 1 1 63 5  1  o 4.9186  0.5664 ?       ?         0.08   -1.77  0.00   0.00   
1 1 1 63 5  2  o 1.4913  0.9771 ?       ?         0.15   0.24   0.00   0.00   
1 1 1 63 5  3  o 3.3578  0.6697 ?       ?         1.58   0.68   0.00   -0.01  
1 1 1 63 5  4  o 1.0515  1.0694 ?       ?         0.30   -0.96  -0.00  -0.00  
1 1 1 63 5  5  o 3.5238  1.3597 ?       ?         -0.70  1.02   0.01   0.01   
1 1 1 63 6  0  o 0.0000  2.6646 ?       ?         0.23   0.00   0.00   0.00   
1 1 1 63 6  1  o 2.9666  0.7324 ?       ?         0.33   0.08   -0.00  0.00   
1 1 1 63 6  2  o 2.6937  0.7553 ?       ?         0.26   -0.32  -0.00  -0.00  
1 1 1 63 6  3  o 1.8387  0.9548 ?       ?         1.59   -0.97  -0.00  -0.00  
1 1 1 63 6  4  o 3.5975  1.6262 ?       ?         -0.03  0.92   0.00   0.00   
1 1 1 63 6  5  o 4.4771  0.8832 ?       ?         1.10   0.66   -0.01  -0.01  
1 1 1 63 7  0  o 0.3162  1.0512 ?       ?         -0.10  0.00   0.00   0.00   
1 1 1 63 7  1  o 0.0000  2.1385 ?       ?         0.24   -0.10  0.00   -0.00  
1 1 1 63 7  2  o 1.7039  1.0466 ?       ?         -0.99  -1.20  0.00   0.00   
1 1 1 63 7  3  o 6.4707  0.4949 ?       ?         1.85   0.49   0.01   0.00   
1 1 1 63 7  4  o 3.2677  0.9570 ?       ?         0.32   -1.77  0.02   0.01   
1 1 1 63 7  5  o 2.5436  1.3464 ?       ?         0.06   0.80   0.00   -0.00  
1 1 1 63 8  0  o 3.5496  1.0654 ?       ?         0.41   0.00   0.00   0.00   
1 1 1 63 8  1  o 2.2120  1.0995 ?       ?         -0.57  0.21   -0.00  0.00   
1 1 1 63 8  2  o 4.5278  1.9983 ?       ?         0.41   1.59   0.02   0.01   
1 1 1 63 8  3  o 5.4654  0.6535 ?       ?         0.95   2.56   0.04   -0.01  
1 1 1 63 8  4  o 9.1116  0.7241 ?       ?         0.00   0.00   0.00   0.00   
1 1 1 63 8  5  o 2.5787  1.2725 ?       ?         -0.76  -0.98  0.00   -0.01  
1 1 1 63 9  0  o 2.9665  1.0969 ?       ?         0.67   0.00   0.00   0.00   
1 1 1 63 9  1  o 6.2051  0.5410 ?       ?         3.05   0.37   0.01   -0.00  
1 1 1 63 9  2  o 1.8378  1.0620 ?       ?         0.14   -1.35  0.00   0.00   
1 1 1 63 9  3  o 3.0966  0.9027 ?       ?         -0.08  -0.32  0.00   -0.00  
1 1 1 63 9  4  o 1.5468  1.2061 ?       ?         0.41   0.42   0.00   -0.00  
1 1 1 63 10 0  o 0.0000  3.2094 ?       ?         0.32   0.00   0.00   0.00   
1 1 1 63 10 1  o 3.7054  1.6846 ?       ?         0.25   0.14   -0.00  -0.00  
1 1 1 63 10 2  o 3.8437  1.2830 ?       ?         0.79   1.58   0.02   -0.01  
1 1 1 63 10 3  o 2.1238  1.1045 ?       ?         -0.38  0.23   -0.00  0.00   
1 1 1 63 10 4  o 0.0000  2.3055 ?       ?         -0.63  -0.44  0.00   -0.00  
1 1 1 63 11 0  o 2.6458  1.2119 ?       ?         0.49   0.00   0.00   0.00   
1 1 1 63 11 1  o 5.7034  0.5678 ?       ?         1.28   -2.60  0.01   0.01   
1 1 1 63 11 2  o 1.8257  1.1222 ?       ?         0.24   0.83   0.00   -0.00  
1 1 1 63 11 3  o 0.0000  2.1897 ?       ?         -0.83  0.02   0.00   -0.00  
1 1 1 63 12 0  o 1.8439  1.3020 ?       ?         -0.39  0.00   0.00   0.00   
1 1 1 63 12 1  o 2.9530  0.8955 ?       ?         -0.19  -2.48  0.04   -0.00  
1 1 1 63 12 2  o 1.7636  1.2518 ?       ?         0.16   -0.43  0.00   0.00   
1 1 1 63 13 0  o 0.0000  3.0496 ?       ?         -0.41  0.00   0.00   0.00   
1 1 1 63 13 1  o 3.7048  0.8251 ?       ?         -1.60  -0.00  -0.02  0.00   
1 1 1 64 0  0  o 3.8341  1.0202 ?       ?         -0.42  0.00   0.00   0.00   
1 1 1 64 0  1  o 2.3022  0.9815 ?       ?         -0.19  0.19   0.00   0.00   
1 1 1 64 0  2  f 4.7854  0.7581 ?       ?         0.00   1.05   0.00   0.00   
1 1 1 64 0  3  o 2.2361  1.1540 ?       ?         -0.26  -0.26  0.00   0.00   
1 1 1 64 1  0  o 1.6125  1.1159 ?       ?         -0.33  0.00   0.00   0.00   
1 1 1 64 1  1  o 0.0000  1.9595 ?       ?         0.16   -0.50  -0.00  0.00   
1 1 1 64 1  2  o 2.7360  0.7633 ?       ?         -1.33  -0.72  -0.01  -0.00  
1 1 1 64 1  3  o 2.3504  1.1143 ?       ?         1.60   -1.02  -0.01  0.01   
1 1 1 64 2  0  o 4.1473  0.7710 ?       ?         -0.45  0.00   0.00   0.00   
1 1 1 64 2  1  f 2.2672  0.8855 ?       ?         -0.40  0.97   0.00   0.00   
1 1 1 64 2  2  o 4.1063  0.6535 ?       ?         -3.02  0.45   -0.03  0.02   
1 1 1 64 2  3  f 3.1602  1.4202 ?       ?         0.18   -0.18  -0.00  0.00   
1 1 1 64 3  0  o 3.4929  0.8886 ?       ?         -1.26  0.00   0.00   0.00   
1 1 1 64 3  1  o 2.1898  0.8990 ?       ?         0.52   -0.68  0.00   0.00   
1 1 1 64 3  2  f 1.7647  1.0209 ?       ?         -0.01  1.35   0.00   -0.00  
1 1 1 64 3  3  o 2.6901  1.2560 ?       ?         -0.19  1.40   0.00   0.01   
1 1 1 64 4  0  o 1.9235  1.1702 ?       ?         0.39   0.00   0.00   0.00   
1 1 1 64 4  1  o 3.6816  0.7325 ?       ?         0.74   0.26   -0.00  -0.00  
1 1 1 64 4  2  o 1.7942  1.0014 ?       ?         -0.11  0.14   0.00   -0.00  
1 1 1 64 5  0  o 0.0000  3.0166 ?       ?         0.30   0.00   0.00   0.00   
1 1 1 64 5  1  o 4.1108  1.4115 ?       ?         -0.10  -0.08  -0.00  -0.00  
1 1 1 64 5  2  o 4.6006  0.6137 ?       ?         2.58   -2.37  -0.01  0.04   
1 1 1 64 6  0  o 2.9155  1.2692 ?       ?         0.67   0.00   0.00   0.00   
1 1 1 64 6  1  o 3.9237  1.2731 ?       ?         0.95   -2.29  0.04   0.02   
1 1 1 64 6  2  o 3.6698  1.3896 ?       ?         1.41   0.37   -0.01  -0.01  
1 1 1 64 7  0  o 4.2895  1.1648 ?       ?         -0.68  0.00   0.00   0.00   
1 1 1 64 7  1  o 3.0223  0.9043 ?       ?         -0.25  -0.08  -0.00  -0.00  
1 1 1 1  1  0  x ?       ?      ?       ?         ?      ?      ?      ?      
1 1 1 2  0  0  x ?       ?      ?       ?         ?      ?      ?      ?      
1 1 1 2  1  0  x ?       ?      ?       ?         ?      ?      ?      ?      
1 1 1 3  1  0  x ?       ?      ?       ?         ?      ?      ?      ?      
1 1 1 4  0  0  x ?       ?      ?       ?         ?      ?      ?      ?      
1 1 1 4  3  0  x ?       ?      ?       ?         ?      ?      ?      ?      
1 1 1 4  4  0  x ?       ?      ?       ?         ?      ?      ?      ?      
1 1 1 34 34 0  x ?       ?      ?       ?         ?      ?      ?      ?      
1 1 1 39 19 0  x ?       ?      ?       ?         ?      ?      ?      ?      
# 
#END OF REFLECTIONS
