COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.773  -2.001  -0.958  1.00  0.00           C  
HETATM    2  C   UNL     1       4.878  -1.422  -0.367  1.00  0.00           C  
HETATM    3  C   UNL     1       4.765  -0.181   0.265  1.00  0.00           C  
HETATM    4  C   UNL     1       3.532   0.471   0.296  1.00  0.00           C  
HETATM    5  C   UNL     1       2.424  -0.120  -0.302  1.00  0.00           C  
HETATM    6  C   UNL     1       2.551  -1.359  -0.929  1.00  0.00           C  
HETATM    7  C   UNL     1       1.110   0.567  -0.272  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.037   0.028  -0.853  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.130   0.776  -0.734  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.755   2.250   0.148  1.00  0.00           S  
HETATM   11  C   UNL     1       0.924   1.760   0.323  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.490   0.414  -1.276  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.579   1.026  -0.391  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.690   0.263   0.899  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.269  -1.003   1.029  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.645  -1.661  -0.018  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.657  -1.050  -1.260  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.066  -2.813   0.161  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.632   0.937  -2.707  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.473  -1.704   2.299  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.179   0.815   1.862  1.00  0.00           O  
HETATM   22  C   UNL     1       5.911   0.419   0.879  1.00  0.00           C  
HETATM   23  N   UNL     1       6.820   0.896   1.366  1.00  0.00           N  
HETATM   24  H   UNL     1       3.866  -2.958  -1.449  1.00  0.00           H  
HETATM   25  H   UNL     1       5.832  -1.928  -0.393  1.00  0.00           H  
HETATM   26  H   UNL     1       3.439   1.430   0.784  1.00  0.00           H  
HETATM   27  H   UNL     1       1.691  -1.817  -1.394  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.037  -0.925  -1.362  1.00  0.00           H  
HETATM   29  H   UNL     1       1.691   2.331   0.826  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.328   2.065  -0.175  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.534   0.989  -0.915  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.068  -3.226   1.039  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.862   0.489  -3.335  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.616   0.672  -3.094  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.519   2.021  -2.710  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.436  -2.214   2.282  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.677  -2.434   2.443  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.458  -0.984   3.117  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.771  -1.560  -2.078  1.00  0.00           H  
CONECT    1    6    6    2   24                                       
CONECT    2    1    3    3   25                                       
CONECT    3    2    2    4   22                                       
CONECT    4    5    5    3   26                                       
CONECT    5    6    7    4    4                                       
CONECT    6    1    1    5   27                                       
CONECT    7   11   11    5    8                                       
CONECT    8    7    9    9   28                                       
CONECT    9   10    8    8   12                                       
CONECT   10   11    9                                                 
CONECT   11   10    7    7   29                                       
CONECT   12    9   19   13   17                                       
CONECT   13   12   14   30   31                                       
CONECT   14   13   21   21   15                                       
CONECT   15   14   16   20                                            
CONECT   16   17   15   18   18                                       
CONECT   17   12   16   39                                            
CONECT   18   16   16   32                                            
CONECT   19   12   33   34   35                                       
CONECT   20   15   36   37   38                                       
CONECT   21   14   14                                                 
CONECT   22    3   23   23   23                                       
CONECT   23   22   22   22                                            
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   17                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
