COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.332   1.600   0.010  1.00  0.00           C  
HETATM    2  C   UNL     1       2.108   2.983   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       1.257   0.682   0.010  1.00  0.00           C  
HETATM    4  N   UNL     1       3.893  -0.211   0.028  1.00  0.00           N  
HETATM    5  C   UNL     1       1.564  -0.683   0.019  1.00  0.00           C  
HETATM    6  C   UNL     1       0.279  -1.398   0.017  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.072  -2.748   0.023  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.401  -3.109   0.018  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.390  -2.137   0.007  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.058  -0.799   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.721  -0.413   0.006  1.00  0.00           C  
HETATM   12  CA  UNL     1       2.913  -1.093   0.028  1.00  0.00           C  
HETATM   13  C   UNL     1       3.234  -2.538   0.045  1.00  0.00           C  
HETATM   14  I   UNL     1      -3.568   0.654  -0.016  1.00  0.00           I  
HETATM   15  N   UNL     1      -0.107   0.826   0.002  1.00  0.00           N  
HETATM   16  O   UNL     1       3.107  -3.176   1.070  1.00  0.00           O  
HETATM   17  OXT UNL     1       3.667  -3.144  -1.077  1.00  0.00           O  
HETATM   18  C   UNL     1       3.661   1.104   0.014  1.00  0.00           C  
HETATM   19  C   UNL     1       3.168   3.839   0.002  1.00  0.00           C  
HETATM   20  C   UNL     1       4.474   3.357   0.011  1.00  0.00           C  
HETATM   21  C   UNL     1       4.729   2.020   0.014  1.00  0.00           C  
HETATM   22  H   UNL     1       1.099   3.368  -0.007  1.00  0.00           H  
HETATM   23  H   UNL     1       0.696  -3.507   0.030  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.674  -4.154   0.022  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.429  -2.431   0.002  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.574   1.676  -0.005  1.00  0.00           H  
HETATM   27  HXT UNL     1       3.864  -4.089  -1.018  1.00  0.00           H  
HETATM   28  H   UNL     1       2.993   4.905  -0.006  1.00  0.00           H  
HETATM   29  H   UNL     1       5.299   4.055   0.011  1.00  0.00           H  
HETATM   30  H   UNL     1       5.748   1.663   0.022  1.00  0.00           H  
CONECT    1    2    2   18    3                                       
CONECT    2   19    1    1   22                                       
CONECT    3    1   15    5    5                                       
CONECT    4   18   12   12                                            
CONECT    5    3    3   12    6                                       
CONECT    6    5   11   11    7                                       
CONECT    7    6    8    8   23                                       
CONECT    8    7    7    9   24                                       
CONECT    9   10   10    8   25                                       
CONECT   10   11   14    9    9                                       
CONECT   11   15    6    6   10                                       
CONECT   12    4    4    5   13                                       
CONECT   13   12   16   16   17                                       
CONECT   14   10                                                      
CONECT   15    3   11   26                                            
CONECT   16   13   13                                                 
CONECT   17   13   27                                                 
CONECT   18   21   21    1    4                                       
CONECT   19   20   20    2   28                                       
CONECT   20   19   19   21   29                                       
CONECT   21   20   18   18   30                                       
CONECT   22    2                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   15                                                      
CONECT   27   17                                                      
CONECT   28   19                                                      
CONECT   29   20                                                      
CONECT   30   21                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
