COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.992   1.310  -0.110  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.420   1.022  -0.266  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.713   1.676  -0.503  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.878  -0.352   0.373  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.483   0.124   0.895  1.00  0.00           C  
HETATM    6  C   UNL     1       3.815   0.742   0.077  1.00  0.00           C  
HETATM    7  C   UNL     1       7.087  -1.033   0.059  1.00  0.00           C  
HETATM    8  C   UNL     1       4.792  -1.798  -0.142  1.00  0.00           C  
HETATM    9  C   UNL     1       2.562  -2.751  -0.360  1.00  0.00           C  
HETATM   10  C   UNL     1       2.939  -0.327  -0.082  1.00  0.00           C  
HETATM   11  C   UNL     1       1.734   1.476   0.048  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.349   2.016  -0.105  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.773   0.615  -0.809  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.878  -1.432   0.054  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.506  -0.982   0.630  1.00  0.00           C  
HETATM   16  C   UNL     1       5.198   0.496   0.123  1.00  0.00           C  
HETATM   17  N   UNL     1       5.647  -0.771   0.011  1.00  0.00           N  
HETATM   18  N   UNL     1       3.461  -1.606  -0.192  1.00  0.00           N  
HETATM   19  N   UNL     1       1.700   0.166  -0.094  1.00  0.00           N  
HETATM   20  N   UNL     1       3.027   1.883   0.163  1.00  0.00           N  
HETATM   21  O   UNL     1      -7.134  -2.397   0.951  1.00  0.00           O  
HETATM   22  O   UNL     1      -7.450  -1.430  -1.011  1.00  0.00           O  
HETATM   23  O   UNL     1       5.983   1.417   0.262  1.00  0.00           O  
HETATM   24  O   UNL     1       5.233  -2.927  -0.240  1.00  0.00           O  
HETATM   25  S   UNL     1       0.326   2.534   0.088  1.00  0.00           S  
HETATM   26  H   UNL     1      -0.951   0.595   0.712  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.860   0.783  -1.056  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.005   2.235   0.386  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.626   2.357  -1.349  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.200   0.192   1.261  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.502  -0.320   1.063  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.781   0.691   1.777  1.00  0.00           H  
HETATM   33  H   UNL     1       7.623  -0.093   0.187  1.00  0.00           H  
HETATM   34  H   UNL     1       7.309  -1.695   0.896  1.00  0.00           H  
HETATM   35  H   UNL     1       7.402  -1.507  -0.871  1.00  0.00           H  
HETATM   36  H   UNL     1       3.149  -3.667  -0.426  1.00  0.00           H  
HETATM   37  H   UNL     1       1.888  -2.812   0.494  1.00  0.00           H  
HETATM   38  H   UNL     1       1.980  -2.625  -1.273  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.481   2.542   0.840  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.391   2.730  -0.927  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.736   1.099  -0.970  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.488   0.064  -1.706  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.564  -1.640   1.497  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.201  -1.558  -0.244  1.00  0.00           H  
HETATM   45  H   UNL     1       3.339   2.794   0.278  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.783  -3.068   0.701  1.00  0.00           H  
CONECT    1   12   25   26   27                                       
CONECT    2    5    3   12                                            
CONECT    3   13    2   28   29                                       
CONECT    4   14   15   13   30                                       
CONECT    5   15    2   31   32                                       
CONECT    6   16   20   10   10                                       
CONECT    7   17   33   34   35                                       
CONECT    8   17   18   24   24                                       
CONECT    9   18   36   37   38                                       
CONECT   10    6    6   19   18                                       
CONECT   11   20   25   19   19                                       
CONECT   12    2    1   39   40                                       
CONECT   13    4    3   41   42                                       
CONECT   14   22   22   21    4                                       
CONECT   15    4    5   43   44                                       
CONECT   16   23   23    6   17                                       
CONECT   17   16    7    8                                            
CONECT   18   10    8    9                                            
CONECT   19   11   11   10                                            
CONECT   20    6   11   45                                            
CONECT   21   14   46                                                 
CONECT   22   14   14                                                 
CONECT   23   16   16                                                 
CONECT   24    8    8                                                 
CONECT   25    1   11                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
