COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.186   0.999   1.684  1.00  0.00           N  
HETATM    2  CA  UNL     1      -2.091  -0.175   0.806  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.828   0.098  -0.479  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.060   1.236  -0.812  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.642  -0.461   0.504  1.00  0.00           C  
HETATM    6  C   UNL     1       0.233   0.584   0.271  1.00  0.00           C  
HETATM    7  C   UNL     1       1.563   0.324  -0.001  1.00  0.00           C  
HETATM    8 CL   UNL     1       2.662   1.636  -0.294  1.00  0.00          Cl  
HETATM    9  C   UNL     1       2.019  -0.986  -0.039  1.00  0.00           C  
HETATM   10  O   UNL     1       3.327  -1.245  -0.305  1.00  0.00           O  
HETATM   11  C   UNL     1       1.139  -2.032   0.196  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.190  -1.767   0.467  1.00  0.00           C  
HETATM   13  H1  UNL     1      -1.780   1.812   1.245  1.00  0.00           H  
HETATM   14  H2  UNL     1      -3.142   1.173   1.954  1.00  0.00           H  
HETATM   15  HA  UNL     1      -2.535  -1.037   1.304  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.123   1.603   0.300  1.00  0.00           H  
HETATM   17  H   UNL     1       3.889  -1.280   0.481  1.00  0.00           H  
HETATM   18  H   UNL     1       1.491  -3.052   0.167  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.875  -2.580   0.654  1.00  0.00           H  
HETATM   20  OXT UNL     1      -3.226  -0.923  -1.255  1.00  0.00           O  
HETATM   21  HXT UNL     1      -3.695  -0.698  -2.070  1.00  0.00           H  
CONECT    1    2   13   14                                            
CONECT    2    5    1    3   15                                       
CONECT    3    4    4    2   20                                       
CONECT    4    3    3                                                 
CONECT    5    6    6   12    2                                       
CONECT    6    7    5    5   16                                       
CONECT    7    8    9    9    6                                       
CONECT    8    7                                                      
CONECT    9   10    7    7   11                                       
CONECT   10    9   17                                                 
CONECT   11    9   12   12   18                                       
CONECT   12   11   11    5   19                                       
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    6                                                      
CONECT   17   10                                                      
CONECT   18   11                                                      
CONECT   19   12                                                      
CONECT   20    3   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
