COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.476   0.396  -1.757  1.00  0.00           O  
HETATM    2  O   UNL     1      -2.069   2.255   1.612  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.000   2.444  -0.879  1.00  0.00           O  
HETATM    4  S   UNL     1      -1.839   1.704   0.323  1.00  0.00           S  
HETATM    5  N   UNL     1       2.269   0.241   0.342  1.00  0.00           N  
HETATM    6  N   UNL     1       1.488   0.083  -0.768  1.00  0.00           N  
HETATM    7  N   UNL     1      -0.280   1.146   0.325  1.00  0.00           N  
HETATM    8  C   UNL     1       4.449   0.052  -0.639  1.00  0.00           C  
HETATM    9  C   UNL     1       4.007  -1.342  -0.129  1.00  0.00           C  
HETATM   10  C   UNL     1       5.867   0.290  -0.083  1.00  0.00           C  
HETATM   11  C   UNL     1       5.177  -1.888   0.713  1.00  0.00           C  
HETATM   12  C   UNL     1       3.477   1.047   0.032  1.00  0.00           C  
HETATM   13  C   UNL     1       2.809  -1.064   0.803  1.00  0.00           C  
HETATM   14  C   UNL     1       6.419  -1.133   0.179  1.00  0.00           C  
HETATM   15  C   UNL     1       0.219   0.536  -0.769  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.895   0.299   0.187  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.343  -0.342   1.327  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.280  -0.157  -1.059  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.551  -1.904  -0.027  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.170  -1.444   1.220  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.113  -1.255  -1.166  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.453  -3.105  -0.143  1.00  0.00           C  
HETATM   23  H   UNL     1       1.847  -0.356  -1.555  1.00  0.00           H  
HETATM   24  H   UNL     1       0.275   1.259   1.112  1.00  0.00           H  
HETATM   25  H   UNL     1       4.422   0.130  -1.725  1.00  0.00           H  
HETATM   26  H   UNL     1       3.751  -2.013  -0.949  1.00  0.00           H  
HETATM   27  H   UNL     1       6.483   0.808  -0.818  1.00  0.00           H  
HETATM   28  H   UNL     1       5.822   0.860   0.845  1.00  0.00           H  
HETATM   29  H   UNL     1       5.022  -1.667   1.769  1.00  0.00           H  
HETATM   30  H   UNL     1       5.288  -2.962   0.560  1.00  0.00           H  
HETATM   31  H   UNL     1       3.228   1.856  -0.655  1.00  0.00           H  
HETATM   32  H   UNL     1       3.914   1.445   0.947  1.00  0.00           H  
HETATM   33  H   UNL     1       3.141  -0.992   1.839  1.00  0.00           H  
HETATM   34  H   UNL     1       2.056  -1.845   0.698  1.00  0.00           H  
HETATM   35  H   UNL     1       6.777  -1.585  -0.746  1.00  0.00           H  
HETATM   36  H   UNL     1       7.209  -1.109   0.929  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.045   0.018   2.301  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.931   0.344  -1.950  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.512  -1.951   2.110  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.411  -1.615  -2.140  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.494  -2.779  -0.147  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.235  -3.635  -1.070  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.285  -3.770   0.704  1.00  0.00           H  
CONECT    1   15   15                                                 
CONECT    2    4    4                                                 
CONECT    3    4    4                                                 
CONECT    4   16    7    3    3                                       
CONECT    4    2    2                                                 
CONECT    5    6   13   12                                            
CONECT    6   15    5   23                                            
CONECT    7   15    4   24                                            
CONECT    8    9   12   10   25                                       
CONECT    9   13   11    8   26                                       
CONECT   10    8   14   27   28                                       
CONECT   11    9   14   29   30                                       
CONECT   12    5    8   31   32                                       
CONECT   13    5    9   33   34                                       
CONECT   14   11   10   35   36                                       
CONECT   15    1    1    7    6                                       
CONECT   16   18   18   17    4                                       
CONECT   17   20   20   16   37                                       
CONECT   18   21   16   16   38                                       
CONECT   19   22   21   21   20                                       
CONECT   20   19   17   17   39                                       
CONECT   21   19   19   18   40                                       
CONECT   22   19   41   42   43                                       
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
