1C      1.317  -1.213  -1.525   
    2C      4.710   3.687  -0.145   
    3C      5.712   3.027  -0.809  
    4C      5.480   2.401  -1.978  
    5C      4.229   2.479  -2.556  
    6C     -2.571   5.943  -2.600  
    7C     -3.558   6.725  -3.422  
    8C     -3.161   7.827  -4.172 
    9C     -4.062   8.490  -4.996  
   10C     -5.367   8.074  -5.075  
   11C     -5.792   7.008  -4.316  
   12C      0.877   0.200  -1.240   
   13C     -4.893   6.342  -3.490 
   14C      0.728   2.479  -2.112   
   15C     -0.511   2.868  -2.916  
   16C     -2.124   4.641  -3.304  
   17C     -1.501   4.986  -4.659  
   18C      1.880   3.341  -2.672  
   19C      3.192   3.181  -1.959   
   20C      3.402   3.774  -0.732  
   21H      1.379  -1.340  -2.485 
   22H      1.599   4.268  -2.734 
   23H      2.688   4.154  -0.243   
   24H      4.686   4.045   0.612  
   25H      6.713   3.040  -0.388   
   26H      6.276   1.831  -2.470   
   27H      3.959   2.143  -3.469  
   28H     -1.743   6.490  -2.388   
   29H     -2.951   5.657  -1.809  
   30H     -2.235   8.027  -4.055   
   31H     -3.786   9.228  -5.439   
   32H      2.288  -1.382  -1.065  
   33H     -5.885   9.414  -6.310  
   34H     -6.735   6.699  -4.407   
   35H     -5.224   5.657  -2.924   
   36H      0.586  -1.903  -1.108   
   37H      1.323   0.803  -3.006   
   38H      0.578   2.697  -1.155   
   39H     -0.943   4.313  -1.685   
   40H     -2.945   4.061  -3.446   
   41H     -0.037   5.854  -5.202   
   42H      2.045   3.107  -3.632   
   43N      1.029   1.074  -2.237  
   44N     -1.178   3.931  -2.460   
   45O      0.401   0.524  -0.152 
   46O     -0.811   2.320  -3.979   
   47O     -0.297   5.509  -4.539   
   48O     -2.089   4.851  -5.700   
   49O     -6.310   8.676  -5.880