COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.289  -2.023  -2.679  1.00  0.00           N  
HETATM    2  CA  UNL     1       0.069  -0.599  -2.676  1.00  0.00           C  
HETATM    3  CB  UNL     1       1.082   0.147  -1.805  1.00  0.00           C  
HETATM    4  CG  UNL     1       1.029  -0.210  -0.314  1.00  0.00           C  
HETATM    5  CD  UNL     1       2.018   0.595   0.536  1.00  0.00           C  
HETATM    6  CE  UNL     1       2.002   0.192   2.012  1.00  0.00           C  
HETATM    7  N   UNL     1       2.977   0.944   2.792  1.00  0.00           N  
HETATM    8  CA  UNL     1       2.936   0.551   4.194  1.00  0.00           C  
HETATM    9  C   UNL     1       1.539   0.828   4.706  1.00  0.00           C  
HETATM   10  O   UNL     1       0.982   1.916   4.726  1.00  0.00           O  
HETATM   11  O   UNL     1       0.971  -0.303   5.202  1.00  0.00           O  
HETATM   12  C   UNL     1       4.046   1.309   4.891  1.00  0.00           C  
HETATM   13  O   UNL     1       3.896   2.104   5.809  1.00  0.00           O  
HETATM   14  OXT UNL     1       5.268   1.015   4.371  1.00  0.00           O  
HETATM   15  C   UNL     1       0.184  -0.144  -4.118  1.00  0.00           C  
HETATM   16  O   UNL     1       0.958  -0.607  -4.946  1.00  0.00           O  
HETATM   17  OXT UNL     1      -0.649   0.895  -4.389  1.00  0.00           O  
HETATM   18  H1  UNL     1      -0.424  -2.627  -3.053  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.044  -2.402  -2.131  1.00  0.00           H  
HETATM   20  HA  UNL     1      -0.960  -0.449  -2.337  1.00  0.00           H  
HETATM   21  HB1 UNL     1       2.097  -0.060  -2.169  1.00  0.00           H  
HETATM   22  HB2 UNL     1       0.936   1.229  -1.918  1.00  0.00           H  
HETATM   23  HG1 UNL     1       1.260  -1.278  -0.214  1.00  0.00           H  
HETATM   24  HG2 UNL     1       0.008  -0.075   0.061  1.00  0.00           H  
HETATM   25  HD1 UNL     1       1.804   1.666   0.452  1.00  0.00           H  
HETATM   26  HD2 UNL     1       3.033   0.443   0.148  1.00  0.00           H  
HETATM   27  HE1 UNL     1       1.003   0.351   2.433  1.00  0.00           H  
HETATM   28  HE2 UNL     1       2.226  -0.877   2.096  1.00  0.00           H  
HETATM   29  H   UNL     1       3.910   0.767   2.421  1.00  0.00           H  
HETATM   30  HA  UNL     1       3.120  -0.523   4.322  1.00  0.00           H  
HETATM   31  H   UNL     1       0.077  -0.132   5.568  1.00  0.00           H  
HETATM   32  HXT UNL     1       6.021   1.488   4.787  1.00  0.00           H  
HETATM   33  HXT UNL     1      -0.589   1.253  -5.301  1.00  0.00           H  
CONECT    1    2   18   19                                            
CONECT    2    1    3   15   20                                       
CONECT    3    2    4   21   22                                       
CONECT    4    3    5   23   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5    7   27   28                                       
CONECT    7    6    8   29                                            
CONECT    8    7    9   12   30                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   31                                                 
CONECT   12    8   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   32                                                 
CONECT   15    2   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   33                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   17                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
