COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.050  -3.585   0.413  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.766  -2.738  -0.343  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.211  -3.105  -1.405  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.015  -1.329   0.131  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.260  -0.800  -0.463  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.294  -0.522   0.345  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.070  -1.215   0.969  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.137   0.962   0.194  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.354   1.656  -0.421  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.428   1.846   0.652  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.965   2.931  -0.936  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.054   0.606  -0.814  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.623   0.985  -0.381  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.626   1.606   1.017  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.895  -0.386  -0.372  1.00  0.00           C  
HETATM   16  S   UNL     1       0.510  -0.368   0.776  1.00  0.00           S  
HETATM   17  C   UNL     1       1.669   0.780  -0.015  1.00  0.00           C  
HETATM   18  C   UNL     1       2.690   0.105  -0.942  1.00  0.00           C  
HETATM   19  C   UNL     1       2.909   1.104   0.830  1.00  0.00           C  
HETATM   20  N   UNL     1       3.557  -0.081   0.236  1.00  0.00           N  
HETATM   21  C   UNL     1       4.882   0.181  -0.076  1.00  0.00           C  
HETATM   22  N   UNL     1       5.312   0.547  -1.243  1.00  0.00           N  
HETATM   23  C   UNL     1       6.611   0.756  -1.362  1.00  0.00           C  
HETATM   24  C   UNL     1       7.310   0.556  -0.245  1.00  0.00           C  
HETATM   25  S   UNL     1       6.186   0.075   1.024  1.00  0.00           S  
HETATM   26  H   UNL     1      -0.917  -4.477   0.067  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.073  -1.302   1.219  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.763   1.461   1.088  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.752   1.043  -1.229  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.029   2.459   1.461  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.295   2.341   0.215  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.724   0.874   1.046  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.600   3.530  -0.271  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.292   0.862  -1.846  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.167   1.661  -1.104  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.031   0.889   1.732  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.606   1.866   1.301  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.243   2.504   1.015  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.573  -0.665  -1.375  1.00  0.00           H  
HETATM   40  H   UNL     1       1.182   1.655  -0.445  1.00  0.00           H  
HETATM   41  H   UNL     1       2.333  -0.832  -1.371  1.00  0.00           H  
HETATM   42  H   UNL     1       3.110   0.778  -1.689  1.00  0.00           H  
HETATM   43  H   UNL     1       3.389   2.043   0.556  1.00  0.00           H  
HETATM   44  H   UNL     1       2.739   1.015   1.903  1.00  0.00           H  
HETATM   45  H   UNL     1       7.070   1.062  -2.291  1.00  0.00           H  
HETATM   46  H   UNL     1       8.378   0.672  -0.135  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   15   27                                       
CONECT    5    6   12    4                                            
CONECT    6    8    7    7    5                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   12   28                                       
CONECT    9   11   10    8   29                                       
CONECT   10    9   30   31   32                                       
CONECT   11    9   33                                                 
CONECT   12    8    5   13   34                                       
CONECT   13   12   15   14   35                                       
CONECT   14   13   36   37   38                                       
CONECT   15   13    4   16   39                                       
CONECT   16   15   17                                                 
CONECT   17   18   16   19   40                                       
CONECT   18   20   17   41   42                                       
CONECT   19   20   17   43   44                                       
CONECT   20   18   21   19                                            
CONECT   21   22   22   20   25                                       
CONECT   22   23   21   21                                            
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   25   46                                       
CONECT   25   21   24                                                 
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
