COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -6.916  -1.558   0.826  1.00  0.00           F  
HETATM    2  C   UNL     1      -5.661  -1.190   0.491  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.095  -0.034   1.012  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.862   0.293   0.660  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.174  -0.462  -0.173  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.677  -1.565  -0.688  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.902  -1.961  -0.379  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.773  -0.052  -0.546  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.769   0.516  -1.967  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.889  -1.219  -0.485  1.00  0.00           N  
HETATM   11  C   UNL     1       0.470  -1.049  -0.271  1.00  0.00           C  
HETATM   12  N   UNL     1       1.242  -2.113  -0.220  1.00  0.00           N  
HETATM   13  C   UNL     1       2.575  -2.000  -0.013  1.00  0.00           C  
HETATM   14  C   UNL     1       3.555  -3.001   0.073  1.00  0.00           C  
HETATM   15  C   UNL     1       3.221  -4.464  -0.066  1.00  0.00           C  
HETATM   16  N   UNL     1       0.946   0.182  -0.131  1.00  0.00           N  
HETATM   17  C   UNL     1       2.241   0.388   0.075  1.00  0.00           C  
HETATM   18  C   UNL     1       3.105  -0.718   0.144  1.00  0.00           C  
HETATM   19  S   UNL     1       4.841  -0.828   0.397  1.00  0.00           S  
HETATM   20  C   UNL     1       4.792  -2.579   0.283  1.00  0.00           C  
HETATM   21  N   UNL     1       2.734   1.674   0.222  1.00  0.00           N  
HETATM   22  C   UNL     1       1.861   2.773   0.153  1.00  0.00           C  
HETATM   23  N   UNL     1       2.206   4.065   0.276  1.00  0.00           N  
HETATM   24  C   UNL     1       1.140   4.810   0.159  1.00  0.00           C  
HETATM   25  N   UNL     1       0.071   4.012  -0.046  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.316   4.447  -0.230  1.00  0.00           C  
HETATM   27  C   UNL     1       0.527   2.716  -0.057  1.00  0.00           C  
HETATM   28  H   UNL     1      -5.653   0.589   1.694  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.306  -2.869  -0.801  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.419   0.709   0.150  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.123  -0.244  -2.663  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.427   1.385  -2.013  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.756   0.813  -2.237  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.255  -2.110  -0.593  1.00  0.00           H  
HETATM   35  H   UNL     1       3.292  -4.755  -1.114  1.00  0.00           H  
HETATM   36  H   UNL     1       3.922  -5.055   0.523  1.00  0.00           H  
HETATM   37  H   UNL     1       2.206  -4.640   0.291  1.00  0.00           H  
HETATM   38  H   UNL     1       5.654  -3.224   0.373  1.00  0.00           H  
HETATM   39  H   UNL     1       3.682   1.816   0.372  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.067   1.825  -0.201  1.00  0.00           H  
HETATM   41  H   UNL     1       1.117   5.888   0.216  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.508   4.612  -1.290  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.991   3.678   0.146  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.481   5.375   0.318  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6    8                                       
CONECT    6    5    5    7                                            
CONECT    7    2    2    6   29                                       
CONECT    8    5    9   10   30                                       
CONECT    9    8   31   32   33                                       
CONECT   10    8   11   34                                            
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   18                                       
CONECT   14   13   15   20   20                                       
CONECT   15   14   35   36   37                                       
CONECT   16   11   11   17                                            
CONECT   17   16   18   18   21                                       
CONECT   18   13   17   17   19                                       
CONECT   19   18   20                                                 
CONECT   20   14   14   19   38                                       
CONECT   21   17   22   39                                            
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   41                                       
CONECT   25   24   26   27                                            
CONECT   26   25   42   43   44                                       
CONECT   27   22   22   25   40                                       
CONECT   28    3                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   27                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
