COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.232  -0.902  -0.754  1.00  0.00           C  
HETATM    2  C   UNL     1       0.005   0.214   0.043  1.00  0.00           C  
HETATM    3  C   UNL     1       0.749  -0.239  -0.993  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.301   0.961  -0.044  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.685   0.459   0.020  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.829  -0.515   0.139  1.00  0.00           C  
HETATM    7  C   UNL     1       4.928  -1.459   0.302  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.749  -1.536  -0.998  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.745  -1.240   1.483  1.00  0.00           C  
HETATM   10  C   UNL     1       6.137  -0.915   0.696  1.00  0.00           C  
HETATM   11  C   UNL     1       6.649   0.185   0.033  1.00  0.00           C  
HETATM   12  C   UNL     1       5.953   0.741  -1.024  1.00  0.00           C  
HETATM   13  C   UNL     1       4.747   0.194  -1.421  1.00  0.00           C  
HETATM   14  C   UNL     1       2.914  -1.494  -1.184  1.00  0.00           C  
HETATM   15  N   UNL     1       7.942   0.767   0.455  1.00  0.00           N1+
HETATM   16  N   UNL     1       1.731  -0.760   0.835  1.00  0.00           N  
HETATM   17  N   UNL     1       0.654  -0.137   1.159  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.414   0.014   0.071  1.00  0.00           N  
HETATM   19  N   UNL     1       1.826  -0.849  -0.445  1.00  0.00           N  
HETATM   20  O   UNL     1      -6.591   0.907  -1.274  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.908   1.643  -0.121  1.00  0.00           O  
HETATM   22  O   UNL     1       8.556   0.278   1.387  1.00  0.00           O1-
HETATM   23  O   UNL     1      -7.465  -0.696   0.165  1.00  0.00           O  
HETATM   24  O   UNL     1       8.394   1.736  -0.129  1.00  0.00           O  
HETATM   25  S   UNL     1      -6.401   0.384   0.034  1.00  0.00           S  
HETATM   26  H   UNL     1       0.528  -0.134  -2.045  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.358   1.689   0.765  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.362   1.477  -1.002  1.00  0.00           H  
HETATM   29  H   UNL     1       4.528  -2.318   0.820  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.804  -2.076  -0.935  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.577  -2.240  -0.912  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.809  -1.019  -1.956  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.801  -0.512   2.293  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.572  -1.944   1.569  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.800  -1.780   1.546  1.00  0.00           H  
HETATM   36  H   UNL     1       6.681  -1.349   1.521  1.00  0.00           H  
HETATM   37  H   UNL     1       6.352   1.600  -1.541  1.00  0.00           H  
HETATM   38  H   UNL     1       4.203   0.628  -2.247  1.00  0.00           H  
HETATM   39  H   UNL     1       2.774  -1.333  -2.252  1.00  0.00           H  
HETATM   40  H   UNL     1       2.911  -2.564  -0.974  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.235  -0.932   0.184  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.372  -0.361   0.127  1.00  0.00           H  
HETATM   43  O   UNL     1      -6.586   1.200   1.183  1.00  0.00           O  
CONECT    1    7    7   13   14                                       
CONECT    2    3    3   17    4                                       
CONECT    3   19    2    2   26                                       
CONECT    4    2   18   27   28                                       
CONECT    5   21   21   18    6                                       
CONECT    6    5    9    8   25                                       
CONECT    7   10    1    1   29                                       
CONECT    8    6   30   31   32                                       
CONECT    9    6   33   34   35                                       
CONECT   10   11   11    7   36                                       
CONECT   11   15   10   10   12                                       
CONECT   12   11   13   13   37                                       
CONECT   13   12   12    1   38                                       
CONECT   14    1   19   39   40                                       
CONECT   15   24   24   22   11                                       
CONECT   16   19   17   17                                            
CONECT   17   16   16    2                                            
CONECT   18    4    5   41                                            
CONECT   19   14    3   16                                            
CONECT   20   25   25                                                 
CONECT   21    5    5                                                 
CONECT   22   15                                                      
CONECT   23   25   42                                                 
CONECT   24   15   15                                                 
CONECT   25    6   23   20   20                                       
CONECT   25   43   43                                                 
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   25   25                                                 
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
