COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.167  -1.447   4.367  1.00  0.00           O  
HETATM    2  C   UNL     1       1.625  -0.435   3.671  1.00  0.00           C  
HETATM    3  O   UNL     1       1.822   0.706   4.014  1.00  0.00           O  
HETATM    4  C   UNL     1       0.773  -0.723   2.462  1.00  0.00           C  
HETATM    5  C   UNL     1       0.284   0.594   1.858  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.568   0.306   0.649  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.112   0.192  -0.685  1.00  0.00           C  
HETATM    8  CA  UNL     1      -1.914   0.115   0.644  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.784   0.155   1.827  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.110  -0.050   1.695  1.00  0.00           O  
HETATM   11  OXT UNL     1      -2.308   0.373   2.924  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.333  -0.123  -0.651  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.240  -0.083  -1.483  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.082  -0.250  -2.856  1.00  0.00           C  
HETATM   15  C   UNL     1       0.171  -0.151  -3.419  1.00  0.00           C  
HETATM   16 CL   UNL     1       0.363  -0.360  -5.132  1.00  0.00          Cl  
HETATM   17  C   UNL     1       1.283   0.115  -2.629  1.00  0.00           C  
HETATM   18  C   UNL     1       1.153   0.283  -1.280  1.00  0.00           C  
HETATM   19 CL   UNL     1       2.551   0.616  -0.306  1.00  0.00          Cl  
HETATM   20  H   UNL     1       2.714  -1.262   5.142  1.00  0.00           H  
HETATM   21  H   UNL     1       1.362  -1.265   1.722  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.084  -1.327   2.758  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.305   1.136   2.597  1.00  0.00           H  
HETATM   24  H   UNL     1       1.141   1.199   1.562  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.683  -0.024   2.474  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.248  -0.290  -0.927  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.940  -0.458  -3.478  1.00  0.00           H  
HETATM   28  H   UNL     1       2.259   0.190  -3.086  1.00  0.00           H  
CONECT    1    2   20                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   21   22                                       
CONECT    5    4    6   23   24                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   13   13   18                                       
CONECT    8    6    6    9   12                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   25                                                 
CONECT   11    9    9                                                 
CONECT   12    8   13   26                                            
CONECT   13    7    7   12   14                                       
CONECT   14   13   15   15   27                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15                                                      
CONECT   17   15   18   18   28                                       
CONECT   18    7   17   17   19                                       
CONECT   19   18                                                      
CONECT   20    1                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
