COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.190   1.680   0.145  1.00  0.00           N  
HETATM    2  C   UNL     1       4.766  -0.623  -0.376  1.00  0.00           C  
HETATM    3  O   UNL     1       5.307  -0.195  -1.368  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.876   0.276   0.444  1.00  0.00           C  
HETATM    5  C   UNL     1       2.412  -0.004   0.099  1.00  0.00           C  
HETATM    6  C   UNL     1       1.506   0.818   1.018  1.00  0.00           C  
HETATM    7  C   UNL     1       0.064   0.543   0.679  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.612  -0.483   1.313  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.586   1.319  -0.262  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.935  -0.736   1.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.908   1.067  -0.574  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.582   0.037   0.056  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.025  -0.238  -0.283  1.00  0.00           C  
HETATM   14  F   UNL     1      -4.674  -0.770   0.837  1.00  0.00           F  
HETATM   15  F   UNL     1      -4.650   0.954  -0.663  1.00  0.00           F  
HETATM   16  F   UNL     1      -4.089  -1.155  -1.338  1.00  0.00           F  
HETATM   17  OXT UNL     1       4.957  -1.898  -0.004  1.00  0.00           O  
HETATM   18  H1  UNL     1       4.043   1.883  -0.832  1.00  0.00           H  
HETATM   19  H2  UNL     1       3.652   2.303   0.729  1.00  0.00           H  
HETATM   20  HA  UNL     1       4.043   0.084   1.503  1.00  0.00           H  
HETATM   21  H   UNL     1       2.223   0.273  -0.938  1.00  0.00           H  
HETATM   22  H   UNL     1       2.203  -1.064   0.236  1.00  0.00           H  
HETATM   23  H   UNL     1       1.694   0.541   2.056  1.00  0.00           H  
HETATM   24  H   UNL     1       1.715   1.879   0.881  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.106  -1.088   2.052  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.059   2.124  -0.754  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.463  -1.538   1.497  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.416   1.674  -1.309  1.00  0.00           H  
HETATM   29  HXT UNL     1       5.535  -2.436  -0.562  1.00  0.00           H  
CONECT    1    4   18   19                                            
CONECT    2    3    3    4   17                                       
CONECT    3    2    2                                                 
CONECT    4    1    2    5   20                                       
CONECT    5    4    6   21   22                                       
CONECT    6    5    7   23   24                                       
CONECT    7    6    9    9    8                                       
CONECT    8    7   10   10   25                                       
CONECT    9    7    7   11   26                                       
CONECT   10    8    8   12   27                                       
CONECT   11    9   12   12   28                                       
CONECT   12   11   11   10   13                                       
CONECT   13   12   15   14   16                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   13                                                      
CONECT   17    2   29                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
