COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.134  -0.536   0.474  1.00  0.00           C  
HETATM    2  C   UNL     1       6.181  -1.875   0.113  1.00  0.00           C  
HETATM    3  C   UNL     1       5.061  -2.517  -0.333  1.00  0.00           C  
HETATM    4  C   UNL     1       3.849  -1.825  -0.430  1.00  0.00           C  
HETATM    5  C   UNL     1       3.795  -0.471  -0.067  1.00  0.00           C  
HETATM    6  C   UNL     1       4.945   0.169   0.392  1.00  0.00           C  
HETATM    7  N   UNL     1       4.902   1.518   0.756  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.287  -2.910   0.475  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.078  -1.826  -0.122  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.765  -0.530   0.581  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.266  -0.544   1.686  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.568  -2.140   0.028  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.906  -3.369  -0.776  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.043  -3.936  -1.404  1.00  0.00           O  
HETATM   15  O   UNL     1      -7.165  -3.834  -0.794  1.00  0.00           O  
HETATM   16  C   UNL     1       1.939   1.264  -0.028  1.00  0.00           C  
HETATM   17  C   UNL     1       2.065   2.134  -1.299  1.00  0.00           C  
HETATM   18  C   UNL     1       7.482  -2.629   0.213  1.00  0.00           C  
HETATM   19  C   UNL     1       0.768   2.974  -1.309  1.00  0.00           C  
HETATM   20  C   UNL     1       0.013   2.512  -0.043  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.493   2.461  -0.310  1.00  0.00           C  
HETATM   22  C   UNL     1       1.804  -1.153  -0.732  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.039   0.645  -0.020  1.00  0.00           N  
HETATM   24  N   UNL     1       2.487  -0.073  -0.269  1.00  0.00           N  
HETATM   25  N   UNL     1       2.599  -2.178  -0.827  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.063   3.110  -0.143  1.00  0.00           O  
HETATM   27  O   UNL     1       3.211   2.983  -1.213  1.00  0.00           O  
HETATM   28  O   UNL     1       7.592  -3.219   1.510  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.222   1.951   2.066  1.00  0.00           O  
HETATM   30  O   UNL     1       1.074   4.367  -1.233  1.00  0.00           O  
HETATM   31  O   UNL     1       0.520   1.188   0.228  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.182   2.147   0.902  1.00  0.00           O  
HETATM   33  S   UNL     1      -3.694   2.069   0.752  1.00  0.00           S  
HETATM   34  H   UNL     1       7.028  -0.043   0.825  1.00  0.00           H  
HETATM   35  H   UNL     1       5.111  -3.560  -0.611  1.00  0.00           H  
HETATM   36  H   UNL     1       5.677   1.936   1.163  1.00  0.00           H  
HETATM   37  H   UNL     1       4.096   2.036   0.603  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.498  -3.014   1.456  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.430  -3.777  -0.020  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.831  -1.735  -1.180  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.798  -2.318   1.079  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.156  -1.296  -0.334  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.333  -4.626  -1.324  1.00  0.00           H  
HETATM   44  H   UNL     1       2.451   1.738   0.810  1.00  0.00           H  
HETATM   45  H   UNL     1       2.120   1.505  -2.188  1.00  0.00           H  
HETATM   46  H   UNL     1       7.508  -3.411  -0.545  1.00  0.00           H  
HETATM   47  H   UNL     1       8.313  -1.942   0.055  1.00  0.00           H  
HETATM   48  H   UNL     1       0.182   2.760  -2.203  1.00  0.00           H  
HETATM   49  H   UNL     1       0.227   3.180   0.791  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.830   3.431  -0.678  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.704   1.696  -1.057  1.00  0.00           H  
HETATM   52  H   UNL     1       0.753  -1.159  -0.985  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.438   0.657  -0.904  1.00  0.00           H  
HETATM   54  H   UNL     1       3.305   3.593  -1.957  1.00  0.00           H  
HETATM   55  H   UNL     1       8.407  -3.721   1.646  1.00  0.00           H  
HETATM   56  H   UNL     1       1.599   4.696  -1.975  1.00  0.00           H  
CONECT    1    6    6    2   34                                       
CONECT    2    1   18    3    3                                       
CONECT    3    2    2    4   35                                       
CONECT    4    5    5   25    3                                       
CONECT    5    6   24    4    4                                       
CONECT    6    7    1    1    5                                       
CONECT    7    6   36   37                                            
CONECT    8    9   38   39                                            
CONECT    9   12   10    8   40                                       
CONECT   10   23    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13    9   41   42                                       
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   43                                                 
CONECT   16   17   31   24   44                                       
CONECT   17   27   19   16   45                                       
CONECT   18    2   28   46   47                                       
CONECT   19   30   20   17   48                                       
CONECT   20   19   21   31   49                                       
CONECT   21   20   32   50   51                                       
CONECT   22   24   25   25   52                                       
CONECT   23   33   10   53                                            
CONECT   24   16    5   22                                            
CONECT   25   22   22    4                                            
CONECT   26   33   33                                                 
CONECT   27   17   54                                                 
CONECT   28   18   55                                                 
CONECT   29   33   33                                                 
CONECT   30   19   56                                                 
CONECT   31   20   16                                                 
CONECT   32   21   33                                                 
CONECT   33   32   29   29   23                                       
CONECT   33   26   26                                                 
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
