COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.995  -0.895  -0.125  1.00  0.00           C  
HETATM    2  N   UNL     1       4.167   1.299  -0.765  1.00  0.00           N  
HETATM    3  O   UNL     1       5.589  -0.906  -1.177  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.809   1.281   0.529  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.181   0.704   0.294  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.818   0.008   1.307  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.074  -0.522   1.099  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.702  -0.357  -0.137  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.054   0.346  -1.154  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.800   0.877  -0.931  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.006  -0.905  -0.360  1.00  0.00           C  
HETATM   12  N   UNL     1      -7.041  -1.341  -0.537  1.00  0.00           N  
HETATM   13  CA  UNL     1       3.953   0.162   0.140  1.00  0.00           C  
HETATM   14  C   UNL     1       2.560  -0.425  -0.098  1.00  0.00           C  
HETATM   15  C   UNL     1       1.515   0.592   0.284  1.00  0.00           C  
HETATM   16  O   UNL     1       1.852   1.678   0.706  1.00  0.00           O  
HETATM   17  N   UNL     1       0.207   0.293   0.158  1.00  0.00           N  
HETATM   18  OXT UNL     1       5.259  -1.826   0.805  1.00  0.00           O  
HETATM   19  H1  UNL     1       4.098   1.011  -1.730  1.00  0.00           H  
HETATM   20  H2  UNL     1       3.522   2.047  -0.564  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.683   2.178  -0.078  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.698   1.538   1.583  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.330  -0.119   2.262  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.570  -1.066   1.890  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.534   0.478  -2.112  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.299   1.424  -1.715  1.00  0.00           H  
HETATM   27  HA  UNL     1       4.033   0.500   1.173  1.00  0.00           H  
HETATM   28  H   UNL     1       2.449  -0.681  -1.152  1.00  0.00           H  
HETATM   29  H   UNL     1       2.435  -1.321   0.509  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.062  -0.576  -0.180  1.00  0.00           H  
HETATM   31  HXT UNL     1       5.932  -2.485   0.588  1.00  0.00           H  
CONECT    1    3    3   13   18                                       
CONECT    2   13   19   20                                            
CONECT    3    1    1                                                 
CONECT    4    5   17   21   22                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   23                                       
CONECT    7    6    8    8   24                                       
CONECT    8    7    7    9   11                                       
CONECT    9    8   10   10   25                                       
CONECT   10    5    9    9   26                                       
CONECT   11    8   12   12   12                                       
CONECT   12   11   11   11                                            
CONECT   13    1    2   14   27                                       
CONECT   14   13   15   28   29                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17    4   15   30                                            
CONECT   18    1   31                                                 
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
