COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.082   1.880  -0.050  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.364   2.856   0.010  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.556   0.674  -0.339  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.391  -0.535  -0.305  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.756  -0.191   0.235  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.861  -0.661  -0.377  1.00  0.00           N  
HETATM    7  O   UNL     1      -2.859   0.510   1.220  1.00  0.00           O  
HETATM    8  C   UNL     1       0.862   0.542  -0.700  1.00  0.00           C  
HETATM    9  C   UNL     1       1.509  -0.503   0.215  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715  -1.809   0.132  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.724  -1.570   0.606  1.00  0.00           C  
HETATM   12  N   UNL     1       2.893  -0.742  -0.215  1.00  0.00           N  
HETATM   13  S   UNL     1       5.274  -0.022   0.066  1.00  0.00           S  
HETATM   14  O   UNL     1       3.817   0.167   0.463  1.00  0.00           O  
HETATM   15  O   UNL     1       5.445   0.581  -1.322  1.00  0.00           O  
HETATM   16  O   UNL     1       6.039   0.785   0.951  1.00  0.00           O  
HETATM   17  O   UNL     1       5.473  -1.422  -0.078  1.00  0.00           O  
HETATM   18  N   UNL     1      -7.719   0.964  -0.096  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.552  -0.491   0.020  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.222  -0.903  -0.615  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.142  -0.338   0.131  1.00  0.00           O  
HETATM   22  H   UNL     1      -2.142   1.978   0.133  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.487  -0.941  -1.312  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.778  -1.221  -1.164  1.00  0.00           H  
HETATM   25  H   UNL     1       0.947   0.221  -1.738  1.00  0.00           H  
HETATM   26  H   UNL     1       1.363   1.502  -0.570  1.00  0.00           H  
HETATM   27  H   UNL     1       1.505  -0.139   1.242  1.00  0.00           H  
HETATM   28  H   UNL     1       0.699  -2.159  -0.900  1.00  0.00           H  
HETATM   29  H   UNL     1       1.188  -2.561   0.763  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.712  -1.198   1.631  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.283  -2.505   0.564  1.00  0.00           H  
HETATM   32  H   UNL     1       3.157  -1.704  -0.066  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.591   1.262   0.316  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.938   1.452   0.317  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.555  -0.774   1.072  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.371  -0.993  -0.494  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.139  -1.990  -0.608  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.183  -0.542  -1.643  1.00  0.00           H  
HETATM   39  H   UNL     1       6.344   0.513  -1.672  1.00  0.00           H  
CONECT    1    2    2    3   22                                       
CONECT    2    1    1                                                 
CONECT    3    4    1    8                                            
CONECT    4    5   11    3   23                                       
CONECT    5    6    7    7    4                                       
CONECT    6   21    5   24                                            
CONECT    7    5    5                                                 
CONECT    8    3    9   25   26                                       
CONECT    9   10    8   12   27                                       
CONECT   10   11    9   28   29                                       
CONECT   11    4   10   30   31                                       
CONECT   12    9   14   32                                            
CONECT   13   16   16   17   17                                       
CONECT   13   14   15                                                 
CONECT   14   12   13                                                 
CONECT   15   13   39                                                 
CONECT   16   13   13                                                 
CONECT   17   13   13                                                 
CONECT   18   19   33   34                                            
CONECT   19   20   18   35   36                                       
CONECT   20   19   21   37   38                                       
CONECT   21   20    6                                                 
CONECT   22    1                                                      
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   15                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
