COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.000  -1.127  -0.622  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.269  -2.166  -1.072  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.798  -3.043  -1.730  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.838  -2.241  -0.768  1.00  0.00           C  
HETATM    5  S   UNL     1       0.062  -1.055   0.169  1.00  0.00           S  
HETATM    6  C   UNL     1       1.547  -1.977  -0.025  1.00  0.00           C  
HETATM    7  C   UNL     1       1.299  -3.099  -0.764  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -3.246  -1.164  1.00  0.00           C  
HETATM    9  C   UNL     1       2.861  -1.593   0.522  1.00  0.00           C  
HETATM   10  C   UNL     1       3.607  -2.514   1.241  1.00  0.00           C  
HETATM   11  C   UNL     1       4.842  -2.163   1.759  1.00  0.00           C  
HETATM   12  C   UNL     1       5.343  -0.896   1.566  1.00  0.00           C  
HETATM   13  C   UNL     1       4.616   0.057   0.845  1.00  0.00           C  
HETATM   14  C   UNL     1       3.367  -0.276   0.306  1.00  0.00           C  
HETATM   15  S   UNL     1       5.001   1.728   0.446  1.00  0.00           S  
HETATM   16  C   UNL     1       3.485   1.924  -0.414  1.00  0.00           C  
HETATM   17  C   UNL     1       2.775   0.789  -0.383  1.00  0.00           C  
HETATM   18  C   UNL     1       3.056   3.161  -1.082  1.00  0.00           C  
HETATM   19  O   UNL     1       1.983   3.202  -1.655  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.431  -1.052  -0.926  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.012   0.193  -0.307  1.00  0.00           C  
HETATM   22  N   UNL     1       3.850   4.250  -1.059  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.517   0.154   0.978  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.051   1.302   1.548  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.076   2.487   0.823  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.570   2.519  -0.461  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.034   1.375  -1.024  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.563   1.265   2.847  1.00  0.00           N  
HETATM   29  H   UNL     1      -2.579  -0.431  -0.094  1.00  0.00           H  
HETATM   30  H   UNL     1       2.069  -3.816  -1.009  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.337  -4.086  -1.753  1.00  0.00           H  
HETATM   32  H   UNL     1       3.222  -3.511   1.398  1.00  0.00           H  
HETATM   33  H   UNL     1       5.415  -2.887   2.319  1.00  0.00           H  
HETATM   34  H   UNL     1       6.306  -0.633   1.978  1.00  0.00           H  
HETATM   35  H   UNL     1       1.810   0.701  -0.859  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.572  -1.021  -2.007  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.935  -1.929  -0.520  1.00  0.00           H  
HETATM   38  H   UNL     1       4.705   4.217  -0.602  1.00  0.00           H  
HETATM   39  H   UNL     1       3.567   5.066  -1.499  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.496  -0.769   1.539  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.492   3.381   1.263  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.589   3.440  -1.026  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.634   1.404  -2.027  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.546   0.437   3.352  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.936   2.068   3.244  1.00  0.00           H  
CONECT    1    2   20   29                                            
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    8    8    2                                       
CONECT    5    6    4                                                 
CONECT    6    9    7    7    5                                       
CONECT    7    6    6    8   30                                       
CONECT    8    7    4    4   31                                       
CONECT    9   14   14   10    6                                       
CONECT   10   11   11    9   32                                       
CONECT   11   12   10   10   33                                       
CONECT   12   13   13   11   34                                       
CONECT   13   15   12   12   14                                       
CONECT   14   13   17    9    9                                       
CONECT   15   13   16                                                 
CONECT   16   15   18   17   17                                       
CONECT   17   16   16   14   35                                       
CONECT   18   19   19   16   22                                       
CONECT   19   18   18                                                 
CONECT   20    1   21   36   37                                       
CONECT   21   23   20   27   27                                       
CONECT   22   18   38   39                                            
CONECT   23   24   24   21   40                                       
CONECT   24   28   23   23   25                                       
CONECT   25   24   26   26   41                                       
CONECT   26   25   25   27   42                                       
CONECT   27   21   21   26   43                                       
CONECT   28   24   44   45                                            
CONECT   29    1                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
