COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.065   2.137   1.386  1.00  0.00           N  
HETATM    2  N   UNL     1       1.426   1.294  -0.357  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.494   0.362   0.578  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.988   1.647   0.455  1.00  0.00           C  
HETATM    5  C   UNL     1       1.120   0.591   0.743  1.00  0.00           C  
HETATM    6  C   UNL     1       1.763  -0.590   0.675  1.00  0.00           C  
HETATM    7  C   UNL     1       3.324  -1.669  -0.998  1.00  0.00           C  
HETATM    8  C   UNL     1       5.237  -1.893   0.600  1.00  0.00           C  
HETATM    9  C   UNL     1       6.892  -0.437  -1.069  1.00  0.00           C  
HETATM   10  C   UNL     1       2.235   0.594  -1.104  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.983  -1.446  -0.297  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.988  -3.849  -0.910  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.664  -2.431  -1.388  1.00  0.00           C  
HETATM   14  O   UNL     1       0.859   1.916   2.915  1.00  0.00           O  
HETATM   15  S   UNL     1       0.061   1.120   2.049  1.00  0.00           S  
HETATM   16  O   UNL     1      -0.646  -0.033   2.484  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.417  -0.083  -0.379  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.297  -3.843  -0.328  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.369  -3.114   0.895  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.752  -1.754   0.726  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.793   0.777  -1.408  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.293   1.995  -1.486  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.413   2.446  -0.609  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.923   3.705  -0.738  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.395   4.474  -1.846  1.00  0.00           C  
HETATM   26  C   UNL     1       2.810   1.032  -2.427  1.00  0.00           C  
HETATM   27  N   UNL     1       2.470  -0.589  -0.496  1.00  0.00           N  
HETATM   28  C   UNL     1       4.753  -1.406  -0.600  1.00  0.00           C  
HETATM   29  C   UNL     1       5.580  -0.678  -1.435  1.00  0.00           C  
HETATM   30  C   UNL     1       7.376  -0.924   0.130  1.00  0.00           C  
HETATM   31  C   UNL     1       6.549  -1.652   0.965  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.082   3.073   1.639  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.182  -0.282   1.387  1.00  0.00           H  
HETATM   34  H   UNL     1       1.728  -1.385   1.405  1.00  0.00           H  
HETATM   35  H   UNL     1       2.997  -2.618  -0.572  1.00  0.00           H  
HETATM   36  H   UNL     1       3.252  -1.714  -2.085  1.00  0.00           H  
HETATM   37  H   UNL     1       4.590  -2.458   1.254  1.00  0.00           H  
HETATM   38  H   UNL     1       7.538   0.132  -1.721  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.967  -4.535  -1.757  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.254  -4.162  -0.167  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.260  -2.200  -2.271  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.605  -2.365  -1.639  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.413  -3.010   1.193  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.824  -3.652   1.670  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.947  -0.999   1.474  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.503   0.444  -2.150  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.926   5.458  -1.831  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.141   3.965  -2.776  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.477   4.586  -1.777  1.00  0.00           H  
HETATM   50  H   UNL     1       3.754   1.549  -2.258  1.00  0.00           H  
HETATM   51  H   UNL     1       2.981   0.159  -3.056  1.00  0.00           H  
HETATM   52  H   UNL     1       2.110   1.705  -2.922  1.00  0.00           H  
HETATM   53  H   UNL     1       5.202  -0.298  -2.372  1.00  0.00           H  
HETATM   54  H   UNL     1       8.400  -0.735   0.416  1.00  0.00           H  
HETATM   55  H   UNL     1       6.927  -2.032   1.903  1.00  0.00           H  
CONECT    1   15    4   32                                            
CONECT    2    5   10   10                                            
CONECT    3    4    4   17   33                                       
CONECT    4    1    3    3   23                                       
CONECT    5   15    2    6    6                                       
CONECT    6    5    5   27   34                                       
CONECT    7   27   28   35   36                                       
CONECT    8   31   31   28   37                                       
CONECT    9   30   30   29   38                                       
CONECT   10    2    2   27   26                                       
CONECT   11   17   20   20   13                                       
CONECT   12   13   18   39   40                                       
CONECT   13   11   12   41   42                                       
CONECT   14   15   15                                                 
CONECT   15   16   16   14   14                                       
CONECT   15    1    5                                                 
CONECT   16   15   15                                                 
CONECT   17    3   21   21   11                                       
CONECT   18   19   12                                                 
CONECT   19   20   18   43   44                                       
CONECT   20   11   11   19   45                                       
CONECT   21   22   17   17   46                                       
CONECT   22   23   23   21                                            
CONECT   23    4   24   22   22                                       
CONECT   24   25   23                                                 
CONECT   25   24   47   48   49                                       
CONECT   26   10   50   51   52                                       
CONECT   27    6   10    7                                            
CONECT   28    8    7   29   29                                       
CONECT   29   28   28    9   53                                       
CONECT   30   31    9    9   54                                       
CONECT   31    8    8   30   55                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
