COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.312  -2.378  -3.789  1.00  0.00           C  
HETATM    2  C   UNL     1       5.552  -2.525  -4.410  1.00  0.00           C  
HETATM    3  C   UNL     1       6.546  -1.565  -4.216  1.00  0.00           C  
HETATM    4  C   UNL     1       6.300  -0.460  -3.403  1.00  0.00           C  
HETATM    5  C   UNL     1       5.059  -0.313  -2.782  1.00  0.00           C  
HETATM    6  C   UNL     1       4.065  -1.273  -2.976  1.00  0.00           C  
HETATM    7  F   UNL     1       7.737  -1.706  -4.812  1.00  0.00           F  
HETATM    8  CA  UNL     1       2.739  -1.116  -2.312  1.00  0.00           C  
HETATM    9  C   UNL     1       2.709  -1.777  -0.934  1.00  0.00           C  
HETATM   10  O   UNL     1       3.648  -2.372  -0.424  1.00  0.00           O  
HETATM   11  OXT UNL     1       1.500  -1.665  -0.318  1.00  0.00           O  
HETATM   12  N   UNL     1       2.341   0.292  -2.146  1.00  0.00           N  
HETATM   13  C   UNL     1       1.623   0.917  -3.053  1.00  0.00           C  
HETATM   14  S   UNL     1       1.217   2.595  -2.733  1.00  0.00           S  
HETATM   15  C   UNL     1       0.370   2.666  -4.222  1.00  0.00           C  
HETATM   16  C   UNL     1       0.445   1.353  -4.913  1.00  0.00           C  
HETATM   17  N   UNL     1       1.171   0.440  -4.172  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.078   1.133  -5.997  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.269   3.729  -4.711  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.353   5.004  -4.059  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.388   5.888  -4.133  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.004   6.986  -3.327  1.00  0.00           C  
HETATM   23  C   UNL     1       0.240   6.676  -2.827  1.00  0.00           C  
HETATM   24  O   UNL     1       0.644   5.459  -3.274  1.00  0.00           O  
HETATM   25  C   UNL     1       1.172   7.385  -1.939  1.00  0.00           C  
HETATM   26  C   UNL     1       0.951   7.065  -0.455  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.063   7.342  -0.146  1.00  0.00           H  
HETATM   28  H   UNL     1       1.659   7.605   0.182  1.00  0.00           H  
HETATM   29  H   UNL     1       1.077   5.993  -0.268  1.00  0.00           H  
HETATM   30  H   UNL     1       2.227   7.151  -2.188  1.00  0.00           H  
HETATM   31  H   UNL     1       1.098   8.485  -2.068  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.566   7.889  -3.137  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.309   5.777  -4.688  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.789   3.613  -5.663  1.00  0.00           H  
HETATM   35  H   UNL     1       2.634   0.774  -1.313  1.00  0.00           H  
HETATM   36  HA  UNL     1       1.951  -1.613  -2.910  1.00  0.00           H  
HETATM   37  HXT UNL     1       1.440  -2.094   0.561  1.00  0.00           H  
HETATM   38  H   UNL     1       4.875   0.552  -2.150  1.00  0.00           H  
HETATM   39  H   UNL     1       7.074   0.287  -3.253  1.00  0.00           H  
HETATM   40  H   UNL     1       5.745  -3.385  -5.043  1.00  0.00           H  
HETATM   41  H   UNL     1       3.543  -3.131  -3.945  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   38                                       
CONECT    6    1    5    5    8                                       
CONECT    7    3                                                      
CONECT    8    6   12    9   36                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   37                                                 
CONECT   12    8   13   35                                            
CONECT   13   12   14   17   17                                       
CONECT   14   13   15                                                 
CONECT   15   14   19   19   16                                       
CONECT   16   15   17   18   18                                       
CONECT   17   13   13   16                                            
CONECT   18   16   16                                                 
CONECT   19   15   15   20   34                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   22   33                                       
CONECT   22   21   23   23   32                                       
CONECT   23   22   22   25   24                                       
CONECT   24   20   23                                                 
CONECT   25   23   26   30   31                                       
CONECT   26   25   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   25                                                      
CONECT   31   25                                                      
CONECT   32   22                                                      
CONECT   33   21                                                      
CONECT   34   19                                                      
CONECT   35   12                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38    5                                                      
CONECT   39    4                                                      
CONECT   40    2                                                      
CONECT   41    1                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
