COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.657  -0.596   0.410  1.00  0.00           C  
HETATM    2  C   UNL     1       3.410   0.121  -0.039  1.00  0.00           C  
HETATM    3  N   UNL     1       3.503   1.208  -0.733  1.00  0.00           N  
HETATM    4  N   UNL     1       2.177  -0.380   0.289  1.00  0.00           N  
HETATM    5  C   UNL     1       0.964   0.317  -0.147  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.267  -0.444   0.347  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.534   0.283  -0.108  1.00  0.00           C  
HETATM    8  CA  UNL     1      -2.765  -0.479   0.386  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.009   0.301   0.044  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.668  -0.007  -0.920  1.00  0.00           O  
HETATM   11  OXT UNL     1      -4.383   1.337   0.811  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.819  -1.796  -0.262  1.00  0.00           N  
HETATM   13  O   UNL     1       5.807   0.115  -0.052  1.00  0.00           O  
HETATM   14  H   UNL     1       4.675  -0.647   1.498  1.00  0.00           H  
HETATM   15  H   UNL     1       4.665  -1.605  -0.002  1.00  0.00           H  
HETATM   16  H   UNL     1       6.648  -0.290   0.201  1.00  0.00           H  
HETATM   17  H   UNL     1       2.700   1.669  -1.022  1.00  0.00           H  
HETATM   18  H   UNL     1       0.957   1.326   0.264  1.00  0.00           H  
HETATM   19  H   UNL     1       0.947   0.369  -1.236  1.00  0.00           H  
HETATM   20  H   UNL     1       2.107  -1.195   0.810  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.260  -1.454  -0.065  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.249  -0.496   1.436  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.541   1.292   0.303  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.551   0.335  -1.197  1.00  0.00           H  
HETATM   25  HA  UNL     1      -2.703  -0.608   1.467  1.00  0.00           H  
HETATM   26  H1  UNL     1      -2.877  -1.703  -1.265  1.00  0.00           H  
HETATM   27  H2  UNL     1      -2.027  -2.362   0.004  1.00  0.00           H  
HETATM   28  HXT UNL     1      -5.188   1.807   0.552  1.00  0.00           H  
CONECT    1    2   13   14   15                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2   17                                            
CONECT    4    2    5   20                                            
CONECT    5    4    6   18   19                                       
CONECT    6    5    7   21   22                                       
CONECT    7    6    8   23   24                                       
CONECT    8    7    9   12   25                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   28                                                 
CONECT   12    8   26   27                                            
CONECT   13    1   16                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16   13                                                      
CONECT   17    3                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    4                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   11                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
