COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.155  -2.210  -1.206  1.00  0.00           N  
HETATM    2  S   UNL     1       4.198  -3.566   0.721  1.00  0.00           S  
HETATM    3  C   UNL     1       3.059  -2.197   1.070  1.00  0.00           C  
HETATM    4  C   UNL     1       2.839  -1.381  -0.205  1.00  0.00           C  
HETATM    5  C   UNL     1       1.992  -0.175   0.111  1.00  0.00           C  
HETATM    6  N   UNL     1       0.696  -0.171   0.109  1.00  0.00           N  
HETATM    7  N   UNL     1       2.492   1.053   0.443  1.00  0.00           N  
HETATM    8  C   UNL     1       1.454   1.890   0.665  1.00  0.00           C  
HETATM    9  O   UNL     1       1.507   3.065   0.981  1.00  0.00           O  
HETATM   10  C   UNL     1       0.247   1.078   0.438  1.00  0.00           C  
HETATM   11  C   UNL     1       3.911   1.402   0.541  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.064   1.490   0.542  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.149   0.587   0.151  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.484   0.949   0.381  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.857  -0.641  -0.460  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.497   0.095   0.010  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.871  -1.480  -0.824  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.195  -1.123  -0.590  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.196  -1.964  -0.954  1.00  0.00           O  
HETATM   20  C   UNL     1       4.388   1.944  -0.782  1.00  0.00           C  
HETATM   21  O   UNL     1       3.621   2.030  -1.711  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.173   1.538   0.776  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.908   0.471   0.250  1.00  0.00           N1+
HETATM   24  O   UNL     1      -6.805  -0.285  -0.078  1.00  0.00           O1-
HETATM   25  H   UNL     1       2.682  -3.047  -1.403  1.00  0.00           H  
HETATM   26  H   UNL     1       1.217  -2.435  -0.910  1.00  0.00           H  
HETATM   27  H   UNL     1       4.297  -4.187   1.911  1.00  0.00           H  
HETATM   28  H   UNL     1       2.105  -2.597   1.414  1.00  0.00           H  
HETATM   29  H   UNL     1       3.485  -1.558   1.842  1.00  0.00           H  
HETATM   30  H   UNL     1       3.801  -1.055  -0.599  1.00  0.00           H  
HETATM   31  H   UNL     1       4.047   2.158   1.314  1.00  0.00           H  
HETATM   32  H   UNL     1       4.487   0.513   0.798  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.291   2.479   0.913  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.716   1.895   0.848  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.831  -0.922  -0.643  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.644  -2.425  -1.294  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.519  -1.824  -1.855  1.00  0.00           H  
HETATM   38  O   UNL     1       5.665   2.332  -0.927  1.00  0.00           O  
HETATM   39  H   UNL     1       5.924   2.673  -1.794  1.00  0.00           H  
CONECT    1    4   25   26                                            
CONECT    2    3   27                                                 
CONECT    3    4    2   28   29                                       
CONECT    4    5    3    1   30                                       
CONECT    5    7    6    6    4                                       
CONECT    6   10    5    5                                            
CONECT    7    8   11    5                                            
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   12   12    6                                       
CONECT   11   20    7   31   32                                       
CONECT   12   10   10   13   33                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   16   34                                       
CONECT   15   13   17   17   35                                       
CONECT   16   14   23   18   18                                       
CONECT   17   15   15   18   36                                       
CONECT   18   16   16   17   19                                       
CONECT   19   18   37                                                 
CONECT   20   21   21   11   38                                       
CONECT   21   20   20                                                 
CONECT   22   23   23                                                 
CONECT   23   24   16   22   22                                       
CONECT   24   23                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   20   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
