COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.867   0.111   0.783  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.812   0.488   0.299  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.725  -0.304   0.359  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.536   0.103  -0.178  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.435   1.333  -0.790  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.555   2.166  -0.860  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.739   1.745  -0.324  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.354  -0.781  -0.103  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.451  -2.029   0.516  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.345  -2.852   0.586  1.00  0.00           C  
HETATM   11  C   UNL     1       0.860  -2.446   0.044  1.00  0.00           C  
HETATM   12  C   UNL     1       0.967  -1.205  -0.575  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.139  -0.373  -0.655  1.00  0.00           C  
HETATM   14  S   UNL     1       2.506  -0.694  -1.263  1.00  0.00           S  
HETATM   15  C   UNL     1       3.151   0.237   0.087  1.00  0.00           C  
HETATM   16  N   UNL     1       4.303   0.962   0.077  1.00  0.00           N  
HETATM   17  C   UNL     1       4.433   1.528   1.324  1.00  0.00           C  
HETATM   18  C   UNL     1       5.230   1.109  -1.048  1.00  0.00           C  
HETATM   19  N   UNL     1       2.598   0.356   1.272  1.00  0.00           N  
HETATM   20  C   UNL     1       3.369   1.136   2.046  1.00  0.00           C  
HETATM   21  H   UNL     1      -1.494   1.652  -1.213  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.486   3.132  -1.337  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.613   2.377  -0.375  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.390  -2.349   0.941  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.422  -3.817   1.065  1.00  0.00           H  
HETATM   26  H   UNL     1       1.722  -3.095   0.102  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.059   0.591  -1.135  1.00  0.00           H  
HETATM   28  H   UNL     1       5.238   2.166   1.660  1.00  0.00           H  
HETATM   29  H   UNL     1       4.938   1.971  -1.648  1.00  0.00           H  
HETATM   30  H   UNL     1       6.241   1.255  -0.669  1.00  0.00           H  
HETATM   31  H   UNL     1       5.199   0.210  -1.664  1.00  0.00           H  
HETATM   32  H   UNL     1       3.165   1.409   3.071  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.787  -1.172   0.789  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    7    3                                       
CONECT    3    2    4   33                                            
CONECT    4    3    8    5    5                                       
CONECT    5    6    4    4   21                                       
CONECT    6    7    7    5   22                                       
CONECT    7    2    6    6   23                                       
CONECT    8   13    4    9    9                                       
CONECT    9    8    8   10   24                                       
CONECT   10   11   11    9   25                                       
CONECT   11   12   10   10   26                                       
CONECT   12   14   13   13   11                                       
CONECT   13   12   12    8   27                                       
CONECT   14   15   12                                                 
CONECT   15   19   19   14   16                                       
CONECT   16   15   17   18                                            
CONECT   17   20   20   16   28                                       
CONECT   18   16   29   30   31                                       
CONECT   19   20   15   15                                            
CONECT   20   19   17   17   32                                       
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   18                                                      
CONECT   31   18                                                      
CONECT   32   20                                                      
CONECT   33    3                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
