COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.542  -1.803   0.005  1.00  0.00           C  
HETATM    2  C   UNL     1       2.714  -1.103   0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       2.707   0.287   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       1.518   0.985  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       0.311   0.291  -0.001  1.00  0.00           C  
HETATM    6  CA  UNL     1      -2.082   0.291  -0.003  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.340   1.073   0.001  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.891   0.959  -0.003  1.00  0.00           N  
HETATM    9  C   UNL     1       0.326  -1.117  -0.003  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.152  -1.064   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.959  -1.836  -0.002  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.998  -3.054  -0.004  1.00  0.00           O  
HETATM   13 CL   UNL     1       4.211   1.154   0.001  1.00  0.00          Cl  
HETATM   14  O   UNL     1      -3.301   2.287  -0.002  1.00  0.00           O  
HETATM   15  OXT UNL     1      -4.528   0.438   0.007  1.00  0.00           O  
HETATM   16  H   UNL     1       1.555  -2.883   0.007  1.00  0.00           H  
HETATM   17  H   UNL     1       3.655  -1.634   0.005  1.00  0.00           H  
HETATM   18  H   UNL     1       1.523   2.065  -0.003  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.113  -1.555   0.005  1.00  0.00           H  
HETATM   20  HXT UNL     1      -5.321   0.990   0.009  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.892   1.929  -0.005  1.00  0.00           H  
CONECT    1    2    2    9   16                                       
CONECT    2    3    1    1   17                                       
CONECT    3   13    4    4    2                                       
CONECT    4    3    3    5   18                                       
CONECT    5    4    8    9    9                                       
CONECT    6    8    7   10   10                                       
CONECT    7   14   14    6   15                                       
CONECT    8    5    6   21                                            
CONECT    9    5    5    1   11                                       
CONECT   10    6    6   11   19                                       
CONECT   11    9   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13    3                                                      
CONECT   14    7    7                                                 
CONECT   15    7   20                                                 
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19   10                                                      
CONECT   20   15                                                      
CONECT   21    8                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
