COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.252   0.916  -0.320  1.00  0.00           C  
HETATM    2  C   UNL     1       3.522  -0.908  -0.122  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.605   0.983  -0.043  1.00  0.00           C  
HETATM    4  O   UNL     1       0.283   2.285   0.337  1.00  0.00           O  
HETATM    5  C   UNL     1       1.454   2.051   0.109  1.00  0.00           C  
HETATM    6  OXT UNL     1       2.309   3.065  -0.132  1.00  0.00           O  
HETATM    7  CA  UNL     1       1.937   0.663   0.096  1.00  0.00           C  
HETATM    8  C   UNL     1       1.124  -0.391   0.330  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.351  -0.319   0.632  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.143  -0.383  -0.676  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.617  -0.310  -0.375  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.335  -1.471  -0.153  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.688  -1.405   0.124  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.322  -0.177   0.184  1.00  0.00           C  
HETATM   15  S   UNL     1       2.085  -1.864   0.223  1.00  0.00           S  
HETATM   16  N   UNL     1       4.788  -1.423  -0.346  1.00  0.00           N  
HETATM   17  N   UNL     1       3.215   0.349  -0.138  1.00  0.00           N  
HETATM   18  H   UNL     1      -2.692   1.822  -0.497  1.00  0.00           H  
HETATM   19  H   UNL     1      -5.102   1.941  -0.005  1.00  0.00           H  
HETATM   20  HXT UNL     1       1.945   3.960  -0.113  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.633  -1.157   1.268  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.572   0.617   1.145  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.860   0.456  -1.313  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.922  -1.319  -1.189  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.839  -2.429  -0.195  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.249  -2.311   0.297  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.378  -0.126   0.400  1.00  0.00           H  
HETATM   28  H   UNL     1       4.933  -2.381  -0.319  1.00  0.00           H  
HETATM   29  H   UNL     1       5.529  -0.825  -0.529  1.00  0.00           H  
CONECT    1   11   11    3   18                                       
CONECT    2   16   17   17   15                                       
CONECT    3    1   14   14   19                                       
CONECT    4    5    5                                                 
CONECT    5    4    4    7    6                                       
CONECT    6    5   20                                                 
CONECT    7   17    5    8    8                                       
CONECT    8    7    7   15    9                                       
CONECT    9    8   10   21   22                                       
CONECT   10    9   11   23   24                                       
CONECT   11   10    1    1   12                                       
CONECT   12   11   13   13   25                                       
CONECT   13   12   12   14   26                                       
CONECT   14    3    3   13   27                                       
CONECT   15    2    8                                                 
CONECT   16    2   28   29                                            
CONECT   17    2    2    7                                            
CONECT   18    1                                                      
CONECT   19    3                                                      
CONECT   20    6                                                      
CONECT   21    9                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
