COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.161   0.002   3.991  1.00  0.00           O  
HETATM    2  C   UNL     1       0.833  -0.002   3.764  1.00  0.00           C  
HETATM    3  OXT UNL     1       0.057  -0.005   4.697  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.320  -0.003   2.373  1.00  0.00           C  
HETATM    5  N   UNL     1       1.177   0.004   1.370  1.00  0.00           N  
HETATM    6  C   UNL     1       0.768   0.000   0.100  1.00  0.00           C  
HETATM    7  C   UNL     1       1.695   0.002  -0.957  1.00  0.00           C  
HETATM    8  C   UNL     1       1.252   0.001  -2.245  1.00  0.00           C  
HETATM    9 CL   UNL     1       2.403   0.005  -3.544  1.00  0.00          Cl  
HETATM   10  C   UNL     1      -0.110  -0.003  -2.536  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.038  -0.006  -1.537  1.00  0.00           C  
HETATM   12 CL   UNL     1      -2.732  -0.012  -1.920  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -0.618  -0.005  -0.198  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.550  -0.009   0.862  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.884  -0.014   0.619  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.062  -0.008   2.156  1.00  0.00           C  
HETATM   17  H   UNL     1       2.496   0.003   4.898  1.00  0.00           H  
HETATM   18  H   UNL     1       2.755   0.006  -0.749  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.436  -0.004  -3.566  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.162   0.910   0.569  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.744  -0.012   2.994  1.00  0.00           H  
CONECT    1    2   17                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   16                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7   13                                       
CONECT    7    6    6    8   18                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8                                                      
CONECT   10    8    8   11   19                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11                                                      
CONECT   13    6   11   11   14                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   20                                                 
CONECT   16    4   14   14   21                                       
CONECT   17    1                                                      
CONECT   18    7                                                      
CONECT   19   10                                                      
CONECT   20   15                                                      
CONECT   21   16                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
