COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.648  -1.084  -0.060  1.00  0.00           O  
HETATM    2  C   UNL     1       4.156   0.011  -0.193  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.923   1.108  -0.096  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.681   0.145  -0.476  1.00  0.00           C  
HETATM    5  N   UNL     1       2.167  -1.124  -1.007  1.00  0.00           N  
HETATM    6  C   UNL     1       1.944   0.493   0.819  1.00  0.00           C  
HETATM    7  C   UNL     1       0.490   0.747   0.516  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.082   1.941   0.289  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.419   1.779   0.049  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.749   0.444   0.117  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.567  -0.261   0.406  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.598  -1.652   0.530  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.777  -2.322   0.365  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.946  -1.632   0.076  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.941  -0.258  -0.042  1.00  0.00           C  
HETATM   16 CL   UNL     1      -4.410   0.591  -0.406  1.00  0.00          Cl  
HETATM   17  HXT UNL     1       5.864   0.972   0.082  1.00  0.00           H  
HETATM   18  HA  UNL     1       2.522   0.937  -1.208  1.00  0.00           H  
HETATM   19  H1  UNL     1       2.303  -1.874  -0.346  1.00  0.00           H  
HETATM   20  H2  UNL     1       1.195  -1.041  -1.265  1.00  0.00           H  
HETATM   21  H   UNL     1       2.029  -0.338   1.520  1.00  0.00           H  
HETATM   22  H   UNL     1       2.385   1.386   1.260  1.00  0.00           H  
HETATM   23  H   UNL     1       0.437   2.888   0.296  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.042   2.498  -0.140  1.00  0.00           H  
HETATM   25  H   UNL     1       0.308  -2.196   0.754  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.800  -3.398   0.461  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.871  -2.175  -0.052  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3   17    2                                                 
CONECT    4    2    5    6   18                                       
CONECT    5    4   19   20                                            
CONECT    6    4    7   21   22                                       
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9   23                                       
CONECT    9    8   10   24                                            
CONECT   10    9   11   11   15                                       
CONECT   11    7   10   10   12                                       
CONECT   12   11   13   13   25                                       
CONECT   13   12   12   14   26                                       
CONECT   14   13   15   15   27                                       
CONECT   15   10   14   14   16                                       
CONECT   16   15                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
