COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.589  -2.224  -0.656  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.484  -1.437  -0.549  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.645  -0.055  -0.327  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.928   0.486  -0.221  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.869  -1.653  -0.545  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.708   1.062  -0.165  1.00  0.00           C  
HETATM    7  C   UNL     1       0.765   0.982  -0.201  1.00  0.00           C  
HETATM    8  C   UNL     1       1.599   1.925  -0.696  1.00  0.00           C  
HETATM    9  C   UNL     1       3.205   0.500  -0.091  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.856  -2.364  -0.642  1.00  0.00           O  
HETATM   11  N   UNL     1      -4.021  -0.332  -0.333  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.367   0.236  -0.222  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.813   0.207   1.241  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.219   0.800   1.357  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.787   1.818  -0.012  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.428   2.146   0.019  1.00  0.00           N  
HETATM   17  N   UNL     1       2.876   1.643  -0.624  1.00  0.00           N  
HETATM   18  S   UNL     1       1.745  -0.354   0.400  1.00  0.00           S  
HETATM   19  C   UNL     1       4.586   0.002   0.080  1.00  0.00           C  
HETATM   20  C   UNL     1       5.677   0.768  -0.350  1.00  0.00           C  
HETATM   21  C   UNL     1       6.950   0.256  -0.166  1.00  0.00           C  
HETATM   22  C   UNL     1       7.102  -0.983   0.430  1.00  0.00           C  
HETATM   23  N   UNL     1       6.055  -1.682   0.825  1.00  0.00           N  
HETATM   24  C   UNL     1       4.825  -1.236   0.677  1.00  0.00           C  
HETATM   25  H   UNL     1      -2.483  -3.284  -0.830  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.496  -1.867  -0.632  1.00  0.00           H  
HETATM   27  H   UNL     1       1.236   2.848  -1.122  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.357   1.265  -0.579  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.060  -0.352  -0.825  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.823  -0.823   1.598  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.121   0.794   1.844  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.912   0.213   0.754  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.537   0.780   2.399  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.209   1.830   1.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.517   2.447   0.099  1.00  0.00           H  
HETATM   36  H   UNL     1       5.529   1.732  -0.813  1.00  0.00           H  
HETATM   37  H   UNL     1       7.815   0.818  -0.485  1.00  0.00           H  
HETATM   38  H   UNL     1       8.094  -1.384   0.574  1.00  0.00           H  
HETATM   39  H   UNL     1       3.994  -1.836   1.018  1.00  0.00           H  
CONECT    1    5    2    2   25                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    4    4    6                                       
CONECT    4   11    3    3   15                                       
CONECT    5   10   10    1   11                                       
CONECT    6    3    7   16   16                                       
CONECT    7    8    8    6   18                                       
CONECT    8   17    7    7   27                                       
CONECT    9   17   17   19   18                                       
CONECT   10    5    5                                                 
CONECT   11    5   12    4                                            
CONECT   12   11   13   28   29                                       
CONECT   13   12   14   30   31                                       
CONECT   14   13   32   33   34                                       
CONECT   15    4   16   35                                            
CONECT   16    6    6   15                                            
CONECT   17    8    9    9                                            
CONECT   18    7    9                                                 
CONECT   19    9   20   20   24                                       
CONECT   20   19   19   21   36                                       
CONECT   21   20   22   22   37                                       
CONECT   22   21   21   23   38                                       
CONECT   23   24   24   22                                            
CONECT   24   19   23   23   39                                       
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    8                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
