COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.197   2.001   0.052  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.064   2.782  -0.081  1.00  0.00           C  
HETATM    3  C   UNL     1       1.149   2.194  -0.386  1.00  0.00           C  
HETATM    4  N   UNL     1       3.612   1.025   1.150  1.00  0.00           N  
HETATM    5  CA  UNL     1       3.276  -0.194   0.402  1.00  0.00           C  
HETATM    6  C   UNL     1       2.552   0.184  -0.892  1.00  0.00           C  
HETATM    7  C   UNL     1       1.230   0.825  -0.559  1.00  0.00           C  
HETATM    8  C   UNL     1       0.097   0.044  -0.426  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.117   0.632  -0.121  1.00  0.00           C  
HETATM   10  I   UNL     1      -2.833  -0.552   0.080  1.00  0.00           I  
HETATM   11  C   UNL     1       4.540  -0.944   0.070  1.00  0.00           C  
HETATM   12  OXT UNL     1       4.485  -2.248  -0.241  1.00  0.00           O  
HETATM   13  O   UNL     1       5.604  -0.371   0.083  1.00  0.00           O  
HETATM   14  H   UNL     1      -2.144   2.460   0.294  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.127   3.852   0.054  1.00  0.00           H  
HETATM   16  H   UNL     1       2.034   2.805  -0.489  1.00  0.00           H  
HETATM   17  H1  UNL     1       4.033   0.800   2.039  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.213   1.628   0.608  1.00  0.00           H  
HETATM   19  HA  UNL     1       2.628  -0.826   1.010  1.00  0.00           H  
HETATM   20  H   UNL     1       3.164   0.887  -1.458  1.00  0.00           H  
HETATM   21  H   UNL     1       2.382  -0.712  -1.488  1.00  0.00           H  
HETATM   22  H   UNL     1       0.161  -1.026  -0.561  1.00  0.00           H  
HETATM   23  HXT UNL     1       5.322  -2.687  -0.447  1.00  0.00           H  
CONECT    1    9    9    2   14                                       
CONECT    2    1    3    3   15                                       
CONECT    3    2    2    7   16                                       
CONECT    4    5   17   18                                            
CONECT    5    6    4   11   19                                       
CONECT    6    7    5   20   21                                       
CONECT    7    8    8    3    6                                       
CONECT    8    9    7    7   22                                       
CONECT    9   10    1    1    8                                       
CONECT   10    9                                                      
CONECT   11    5   13   13   12                                       
CONECT   12   11   23                                                 
CONECT   13   11   11                                                 
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    8                                                      
CONECT   23   12                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
