COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.116   0.767   0.026  1.00  0.00           C  
HETATM    2  N   UNL     1       8.089  -0.039  -0.516  1.00  0.00           N  
HETATM    3  O   UNL     1       2.669   1.479   1.076  1.00  0.00           O  
HETATM    4  OXT UNL     1      -5.611   2.637   1.778  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.955   1.522   1.396  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.057   0.501   2.051  1.00  0.00           O  
HETATM    7  CA  UNL     1      -4.120   1.540   0.196  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.966   2.629  -0.564  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.207   2.526  -1.595  1.00  0.00           C  
HETATM   10  S   UNL     1      -2.558   0.895  -1.711  1.00  0.00           S  
HETATM   11  C   UNL     1      -3.421   0.438  -0.244  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.401  -0.805   0.357  1.00  0.00           N  
HETATM   13  S   UNL     1      -2.503  -2.030  -0.304  1.00  0.00           S  
HETATM   14  O   UNL     1      -2.663  -3.151   0.554  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.822  -2.059  -1.688  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.811  -1.554  -0.192  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.072  -1.893   0.927  1.00  0.00           C  
HETATM   18  C   UNL     1       1.258  -1.522   1.018  1.00  0.00           C  
HETATM   19  F   UNL     1       1.979  -1.853   2.112  1.00  0.00           F  
HETATM   20  C   UNL     1      -0.222  -0.849  -1.226  1.00  0.00           C  
HETATM   21  C   UNL     1       1.107  -0.475  -1.142  1.00  0.00           C  
HETATM   22  F   UNL     1       1.680   0.214  -2.152  1.00  0.00           F  
HETATM   23  C   UNL     1       1.851  -0.808  -0.016  1.00  0.00           C  
HETATM   24  N   UNL     1       3.198  -0.431   0.072  1.00  0.00           N  
HETATM   25  C   UNL     1       3.530   0.766   0.596  1.00  0.00           C  
HETATM   26  N   UNL     1       4.814   1.173   0.588  1.00  0.00           N  
HETATM   27  N   UNL     1       5.806   0.352   0.035  1.00  0.00           N  
HETATM   28  N   UNL     1       7.437   1.922   0.538  1.00  0.00           N  
HETATM   29  H   UNL     1       7.851  -0.900  -0.893  1.00  0.00           H  
HETATM   30  H   UNL     1       9.014   0.254  -0.522  1.00  0.00           H  
HETATM   31  HXT UNL     1      -6.137   2.528   2.583  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.999   3.325  -2.291  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.913  -0.961   1.166  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.534  -2.447   1.731  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.801  -0.591  -2.100  1.00  0.00           H  
HETATM   36  H   UNL     1       3.892  -1.031  -0.243  1.00  0.00           H  
HETATM   37  H   UNL     1       6.752   2.489   0.924  1.00  0.00           H  
HETATM   38  H   UNL     1       5.053   2.034   0.965  1.00  0.00           H  
HETATM   39  H   UNL     1       5.567  -0.509  -0.342  1.00  0.00           H  
CONECT    1   28   28    2   27                                       
CONECT    2    1   29   30                                            
CONECT    3   25   25                                                 
CONECT    4    5   31                                                 
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   11   11    8                                       
CONECT    8    7    9    9                                            
CONECT    9   10    8    8   32                                       
CONECT   10   11    9                                                 
CONECT   11   12    7    7   10                                       
CONECT   12   13   11   33                                            
CONECT   13   14   14   15   15                                       
CONECT   13   12   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   20   17   17                                       
CONECT   17   16   16   18   34                                       
CONECT   18   17   23   23   19                                       
CONECT   19   18                                                      
CONECT   20   21   21   16   35                                       
CONECT   21   22   20   20   23                                       
CONECT   22   21                                                      
CONECT   23   21   18   18   24                                       
CONECT   24   23   25   36                                            
CONECT   25   26   24    3    3                                       
CONECT   26   27   25   38                                            
CONECT   27    1   26   39                                            
CONECT   28    1    1   37                                            
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   17                                                      
CONECT   35   20                                                      
CONECT   36   24                                                      
CONECT   37   28                                                      
CONECT   38   26                                                      
CONECT   39   27                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
