COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.011   1.594  -0.414  1.00  0.00           C  
HETATM    2  C   UNL     1       3.945   0.068   0.027  1.00  0.00           C  
HETATM    3  C   UNL     1       6.205   0.960  -0.556  1.00  0.00           C  
HETATM    4  C   UNL     1       6.181  -1.749   0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       5.701  -1.468  -0.866  1.00  0.00           C  
HETATM    6  C   UNL     1       6.463  -0.268  -1.432  1.00  0.00           C  
HETATM    7  C   UNL     1       4.424  -0.213   1.453  1.00  0.00           C  
HETATM    8  C   UNL     1       0.222  -0.295   0.535  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.131  -0.880  -0.387  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.508   0.234  -0.092  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.981   0.517   0.053  1.00  0.00           C  
HETATM   12  S   UNL     1      -4.921  -0.995  -0.273  1.00  0.00           S  
HETATM   13  C   UNL     1      -6.560  -0.392  -0.041  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.903   0.834   0.280  1.00  0.00           N  
HETATM   15  N   UNL     1      -8.182   0.921   0.367  1.00  0.00           N  
HETATM   16  C   UNL     1      -8.728  -0.234   0.110  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.715  -1.110  -0.165  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.610   1.219   0.106  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.240   0.933   0.080  1.00  0.00           C  
HETATM   20  C   UNL     1       0.659   1.876  -0.400  1.00  0.00           C  
HETATM   21  C   UNL     1       2.469   0.372   0.044  1.00  0.00           C  
HETATM   22  C   UNL     1       4.706   1.268  -0.539  1.00  0.00           C  
HETATM   23  C   UNL     1       6.684   0.679   0.870  1.00  0.00           C  
HETATM   24  C   UNL     1       5.922  -0.521   1.436  1.00  0.00           C  
HETATM   25  C   UNL     1       4.203  -1.159  -0.849  1.00  0.00           C  
HETATM   26  C   UNL     1       1.576  -0.571   0.518  1.00  0.00           C  
HETATM   27  H   UNL     1       2.711   2.327  -0.787  1.00  0.00           H  
HETATM   28  H   UNL     1       6.747   1.815  -0.960  1.00  0.00           H  
HETATM   29  H   UNL     1       5.638  -2.604   0.964  1.00  0.00           H  
HETATM   30  H   UNL     1       7.248  -1.969   0.548  1.00  0.00           H  
HETATM   31  H   UNL     1       5.885  -2.342  -1.490  1.00  0.00           H  
HETATM   32  H   UNL     1       6.122  -0.067  -2.448  1.00  0.00           H  
HETATM   33  H   UNL     1       7.530  -0.487  -1.444  1.00  0.00           H  
HETATM   34  H   UNL     1       4.240   0.662   2.077  1.00  0.00           H  
HETATM   35  H   UNL     1       3.882  -1.068   1.857  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.474  -1.031   0.909  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.187   0.861   1.067  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.275   1.289  -0.659  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.785  -0.456   0.109  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.799  -2.049  -0.395  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.912   2.126   0.267  1.00  0.00           H  
HETATM   42  H   UNL     1       0.301   2.829  -0.761  1.00  0.00           H  
HETATM   43  H   UNL     1       4.365   1.469  -1.555  1.00  0.00           H  
HETATM   44  H   UNL     1       4.523   2.143   0.085  1.00  0.00           H  
HETATM   45  H   UNL     1       7.751   0.459   0.858  1.00  0.00           H  
HETATM   46  H   UNL     1       6.500   1.553   1.494  1.00  0.00           H  
HETATM   47  H   UNL     1       6.264  -0.721   2.452  1.00  0.00           H  
HETATM   48  H   UNL     1       3.661  -2.014  -0.445  1.00  0.00           H  
HETATM   49  H   UNL     1       3.862  -0.959  -1.864  1.00  0.00           H  
HETATM   50  H   UNL     1       1.937  -1.524   0.875  1.00  0.00           H  
CONECT    1   21   20   20   27                                       
CONECT    2   25    7   22   21                                       
CONECT    3    6   23   22   28                                       
CONECT    4    5   24   29   30                                       
CONECT    5    4    6   25   31                                       
CONECT    6    5    3   32   33                                       
CONECT    7   24    2   34   35                                       
CONECT    8   26   19   19   36                                       
CONECT    9   10   10                                                 
CONECT   10   18    9    9   11                                       
CONECT   11   10   12   37   38                                       
CONECT   12   13   11                                                 
CONECT   13   17   14   14   12                                       
CONECT   14   15   13   13                                            
CONECT   15   16   16   14                                            
CONECT   16   15   15   17   39                                       
CONECT   17   16   13   40                                            
CONECT   18   19   10   41                                            
CONECT   19    8    8   20   18                                       
CONECT   20    1    1   19   42                                       
CONECT   21    2   26   26    1                                       
CONECT   22    3    2   43   44                                       
CONECT   23   24    3   45   46                                       
CONECT   24    4   23    7   47                                       
CONECT   25    5    2   48   49                                       
CONECT   26   21   21    8   50                                       
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
