COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.746   1.589   0.360  1.00  0.00           N  
HETATM    2  C   UNL     1       3.514   1.002   0.129  1.00  0.00           C  
HETATM    3  N   UNL     1       3.279  -0.271   0.152  1.00  0.00           N  
HETATM    4  CA  UNL     1       2.023  -0.658  -0.094  1.00  0.00           C  
HETATM    5  C   UNL     1       1.619  -2.071  -0.099  1.00  0.00           C  
HETATM    6  O   UNL     1       0.464  -2.373  -0.329  1.00  0.00           O  
HETATM    7  OXT UNL     1       2.530  -3.033   0.152  1.00  0.00           O  
HETATM    8  C   UNL     1       1.153   0.347  -0.339  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.314   0.189  -0.644  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.113   0.217   0.661  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.580   0.060   0.355  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.231  -1.103   0.288  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.579  -1.000  -0.007  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.023   0.246  -0.180  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.698   1.380   0.040  1.00  0.00           S  
HETATM   16  S   UNL     1       2.027   1.872  -0.233  1.00  0.00           S  
HETATM   17  H   UNL     1       4.837   2.555   0.328  1.00  0.00           H  
HETATM   18  H   UNL     1       5.518   1.036   0.557  1.00  0.00           H  
HETATM   19  HXT UNL     1       2.217  -3.948   0.138  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.641   1.006  -1.288  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.480  -0.762  -1.151  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.786  -0.600   1.304  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.947   1.168   1.168  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.743  -2.052   0.452  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.223  -1.863  -0.092  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.042   0.517  -0.416  1.00  0.00           H  
CONECT    1    2   17   18                                            
CONECT    2    1    3    3   16                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    8    8                                       
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   19                                                 
CONECT    8    4    4   16    9                                       
CONECT    9    8   10   20   21                                       
CONECT   10    9   11   22   23                                       
CONECT   11   10   12   12   15                                       
CONECT   12   11   11   13   24                                       
CONECT   13   12   14   14   25                                       
CONECT   14   13   13   15   26                                       
CONECT   15   11   14                                                 
CONECT   16    2    8                                                 
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    7                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
