COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.159   0.407  -0.084  1.00  0.00           C  
HETATM    2  C   UNL     1       0.431   1.693  -0.046  1.00  0.00           C  
HETATM    3  C   UNL     1       1.845   1.783   0.006  1.00  0.00           C  
HETATM    4  N   UNL     1       2.564   0.651   0.016  1.00  0.00           N  
HETATM    5  N   UNL     1       0.637  -0.652  -0.069  1.00  0.00           N  
HETATM    6  C   UNL     1       4.185  -1.652   0.044  1.00  0.00           C  
HETATM    7  C   UNL     1       4.955  -2.797   0.062  1.00  0.00           C  
HETATM    8  C   UNL     1       4.350  -4.041   0.030  1.00  0.00           C  
HETATM    9  C   UNL     1       2.971  -4.144  -0.021  1.00  0.00           C  
HETATM   10  C   UNL     1       2.191  -3.006  -0.039  1.00  0.00           C  
HETATM   11  C   UNL     1       2.795  -1.750  -0.007  1.00  0.00           C  
HETATM   12  C   UNL     1       1.962  -0.523  -0.020  1.00  0.00           C  
HETATM   13  C   UNL     1       2.453   3.042   0.043  1.00  0.00           C  
HETATM   14  C   UNL     1       1.665   4.177   0.029  1.00  0.00           C  
HETATM   15  N   UNL     1       2.266   5.433   0.067  1.00  0.00           N  
HETATM   16  C   UNL     1       0.271   4.077  -0.022  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.341   2.861  -0.059  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.530   0.259  -0.129  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.121  -1.081  -0.161  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.623  -0.966  -0.208  1.00  0.00           C  
HETATM   21  S   UNL     1      -4.679  -0.896   1.197  1.00  0.00           S  
HETATM   22  C   UNL     1      -6.096  -0.772   0.163  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.720  -0.789  -1.116  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.355  -0.896  -1.321  1.00  0.00           C  
HETATM   25  H   UNL     1       4.657  -0.681   0.073  1.00  0.00           H  
HETATM   26  H   UNL     1       6.031  -2.722   0.102  1.00  0.00           H  
HETATM   27  H   UNL     1       4.957  -4.934   0.044  1.00  0.00           H  
HETATM   28  H   UNL     1       2.505  -5.118  -0.046  1.00  0.00           H  
HETATM   29  H   UNL     1       1.115  -3.088  -0.079  1.00  0.00           H  
HETATM   30  H   UNL     1       3.529   3.127   0.083  1.00  0.00           H  
HETATM   31  H   UNL     1       3.232   5.508   0.102  1.00  0.00           H  
HETATM   32  H   UNL     1       1.717   6.233   0.057  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.328   4.976  -0.032  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.419   2.797  -0.098  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.102   1.042  -0.139  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.770  -1.612  -1.046  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.826  -1.630   0.733  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.116  -0.694   0.511  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.426  -0.725  -1.931  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.915  -0.918  -2.307  1.00  0.00           H  
CONECT    1   18    5    5    2                                       
CONECT    2    1   17   17    3                                       
CONECT    3    2    4   13   13                                       
CONECT    4   12   12    3                                            
CONECT    5    1    1   12                                            
CONECT    6    7    7   11   25                                       
CONECT    7    6    6    8   26                                       
CONECT    8    7    9    9   27                                       
CONECT    9    8    8   10   28                                       
CONECT   10   11   11    9   29                                       
CONECT   11    6   12   10   10                                       
CONECT   12    5   11    4    4                                       
CONECT   13    3    3   14   30                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14   31   32                                            
CONECT   16   17   14   14   33                                       
CONECT   17    2    2   16   34                                       
CONECT   18   19    1   35                                            
CONECT   19   20   18   36   37                                       
CONECT   20   21   24   24   19                                       
CONECT   21   22   20                                                 
CONECT   22   21   23   23   38                                       
CONECT   23   22   22   24   39                                       
CONECT   24   23   20   20   40                                       
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
