COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.377  -0.308   0.072  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.131   2.433  -0.292  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.354   1.888   0.073  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.480   0.530   0.254  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.042   1.635  -0.468  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.142   0.238  -0.290  1.00  0.00           C  
HETATM    7  N   UNL     1       1.550   1.167   1.003  1.00  0.00           N  
HETATM    8  CA  UNL     1       2.094  -0.078   0.444  1.00  0.00           C  
HETATM    9  C   UNL     1       1.304  -0.462  -0.809  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.118  -0.784  -0.427  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.527  -2.015  -0.192  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.229  -2.054   0.228  1.00  0.00           S  
HETATM   13  C   UNL     1       3.543   0.125   0.081  1.00  0.00           C  
HETATM   14  O   UNL     1       3.974   1.243  -0.078  1.00  0.00           O  
HETATM   15  OXT UNL     1       4.353  -0.934  -0.064  1.00  0.00           O  
HETATM   16  H   UNL     1      -2.041   3.500  -0.431  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.210   2.532   0.215  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.435   0.111   0.537  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.097   2.073  -0.752  1.00  0.00           H  
HETATM   20  H1  UNL     1       2.013   1.407   1.867  1.00  0.00           H  
HETATM   21  H2  UNL     1       1.614   1.921   0.337  1.00  0.00           H  
HETATM   22  HA  UNL     1       2.013  -0.875   1.183  1.00  0.00           H  
HETATM   23  H   UNL     1       1.311   0.371  -1.513  1.00  0.00           H  
HETATM   24  H   UNL     1       1.762  -1.334  -1.275  1.00  0.00           H  
HETATM   25  H   UNL     1       0.106  -2.888  -0.250  1.00  0.00           H  
HETATM   26  HXT UNL     1       5.274  -0.754  -0.297  1.00  0.00           H  
CONECT    1    4    4   12    6                                       
CONECT    2    3    3    5   16                                       
CONECT    3    4    2    2   17                                       
CONECT    4    3    1    1   18                                       
CONECT    5    2    6    6   19                                       
CONECT    6    1    5    5   10                                       
CONECT    7    8   20   21                                            
CONECT    8    9   13    7   22                                       
CONECT    9   10    8   23   24                                       
CONECT   10    6   11   11    9                                       
CONECT   11   12   10   10   25                                       
CONECT   12    1   11                                                 
CONECT   13   14   14    8   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   26                                                 
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   15                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
