COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.540  -2.381   2.099  1.00  0.00           O  
HETATM    2  C   UNL     1       0.662  -1.895   0.761  1.00  0.00           C  
HETATM    3  C   UNL     1       1.357  -0.514   0.753  1.00  0.00           C  
HETATM    4  C   UNL     1       2.831  -0.652   0.368  1.00  0.00           C  
HETATM    5  S   UNL     1       3.648   0.961   0.512  1.00  0.00           S  
HETATM    6  C   UNL     1      -0.732  -1.647   0.153  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.823  -0.202  -0.149  1.00  0.00           N  
HETATM    8  C   UNL     1       0.576   0.261  -0.338  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.624   0.034  -1.357  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.069  -0.280  -1.071  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.027   0.586  -0.391  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.975   1.804   0.153  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.044   2.331   0.709  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.723  -1.411  -1.398  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.018  -1.337  -0.977  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.240  -0.126  -0.363  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.346   0.481   0.241  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.202   1.697   0.758  1.00  0.00           N  
HETATM   19  N   UNL     1      -7.567  -0.172   0.299  1.00  0.00           N  
HETATM   20  C   UNL     1       5.308   0.609   0.037  1.00  0.00           C  
HETATM   21  C   UNL     1       6.261   1.626   0.023  1.00  0.00           C  
HETATM   22  N   UNL     1       7.503   1.358  -0.334  1.00  0.00           N  
HETATM   23  C   UNL     1       7.843   0.126  -0.676  1.00  0.00           C  
HETATM   24  C   UNL     1       6.901  -0.885  -0.663  1.00  0.00           C  
HETATM   25  N   UNL     1       5.655  -0.626  -0.302  1.00  0.00           N  
HETATM   26  H   UNL     1       0.073  -3.224   2.170  1.00  0.00           H  
HETATM   27  H   UNL     1       1.220  -2.604   0.150  1.00  0.00           H  
HETATM   28  H   UNL     1       1.254  -0.025   1.721  1.00  0.00           H  
HETATM   29  H   UNL     1       3.316  -1.365   1.035  1.00  0.00           H  
HETATM   30  H   UNL     1       2.907  -1.007  -0.660  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.845  -2.226  -0.763  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.504  -1.926   0.870  1.00  0.00           H  
HETATM   33  H   UNL     1       0.651   1.336  -0.175  1.00  0.00           H  
HETATM   34  H   UNL     1       0.938  -0.004  -1.332  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.531   1.078  -1.657  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.265  -0.608  -2.162  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.973   3.318   1.142  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.287  -2.251  -1.918  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.685  -2.030  -1.099  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.661  -1.060  -0.081  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.328   0.258   0.720  1.00  0.00           H  
HETATM   42  H   UNL     1       5.983   2.632   0.302  1.00  0.00           H  
HETATM   43  H   UNL     1       8.860  -0.090  -0.967  1.00  0.00           H  
HETATM   44  H   UNL     1       7.184  -1.890  -0.939  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2    3    6    1   27                                       
CONECT    3    4    2    8   28                                       
CONECT    4    5    3   29   30                                       
CONECT    5   20    4                                                 
CONECT    6    2    7   31   32                                       
CONECT    7    6    8    9                                            
CONECT    8    3    7   33   34                                       
CONECT    9   10    7   35   36                                       
CONECT   10   11   14   14    9                                       
CONECT   11   12   12   16   10                                       
CONECT   12   13   11   11                                            
CONECT   13   18   18   12   37                                       
CONECT   14   15   10   10   38                                       
CONECT   15   16   14   39                                            
CONECT   16   17   17   11   15                                       
CONECT   17   18   19   16   16                                       
CONECT   18   13   13   17                                            
CONECT   19   17   40   41                                            
CONECT   20   25    5   21   21                                       
CONECT   21   20   20   22   42                                       
CONECT   22   23   23   21                                            
CONECT   23   24   22   22   43                                       
CONECT   24   25   25   23   44                                       
CONECT   25   24   24   20                                            
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
