COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.159   0.431  -0.397  1.00  0.00           C  
HETATM    2  C   UNL     1       0.824   1.213  -0.263  1.00  0.00           C  
HETATM    3  N   UNL     1       1.120   2.329  -0.981  1.00  0.00           N  
HETATM    4  N   UNL     1       1.812   0.362   0.151  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.422   0.933   0.077  1.00  0.00           N  
HETATM    6  C   UNL     1       0.143   3.223  -1.265  1.00  0.00           C  
HETATM    7  C   UNL     1       2.460   2.584  -1.498  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.432   1.755  -0.221  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.172   2.941  -0.892  1.00  0.00           C  
HETATM   10  O   UNL     1       0.411   4.266  -1.840  1.00  0.00           O  
HETATM   11  C   UNL     1       3.543   1.866  -0.718  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.313   1.923   1.391  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.914   0.734   2.147  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.791   0.016   1.275  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.144  -0.554   0.135  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.554   0.570  -0.725  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.724   1.427   0.137  1.00  0.00           N  
HETATM   18  C   UNL     1       4.147  -0.138   0.623  1.00  0.00           C  
HETATM   19  F   UNL     1       3.911  -1.507   0.789  1.00  0.00           F  
HETATM   20  F   UNL     1       5.455   0.058   0.166  1.00  0.00           F  
HETATM   21  F   UNL     1       3.979   0.516   1.849  1.00  0.00           F  
HETATM   22  S   UNL     1      -0.808  -2.033   0.110  1.00  0.00           S  
HETATM   23  C   UNL     1       0.894  -1.855   0.516  1.00  0.00           C  
HETATM   24  C   UNL     1       1.558  -2.954   0.157  1.00  0.00           C  
HETATM   25  C   UNL     1       0.782  -3.939  -0.430  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.514  -3.639  -0.546  1.00  0.00           C  
HETATM   27 CL   UNL     1      -1.723  -4.674  -1.238  1.00  0.00          Cl  
HETATM   28  C   UNL     1       1.507  -0.644   1.172  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.227   2.581   2.245  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.686   1.398  -1.338  1.00  0.00           C  
HETATM   31  H   UNL     1       3.205  -0.165  -1.309  1.00  0.00           H  
HETATM   32  H   UNL     1       3.723   2.401   0.214  1.00  0.00           H  
HETATM   33  H   UNL     1       4.461   1.864  -1.306  1.00  0.00           H  
HETATM   34  H   UNL     1       2.503   2.259  -2.537  1.00  0.00           H  
HETATM   35  H   UNL     1       2.653   3.656  -1.460  1.00  0.00           H  
HETATM   36  H   UNL     1       2.426  -0.934   1.682  1.00  0.00           H  
HETATM   37  H   UNL     1       0.806  -0.228   1.895  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.971   3.632  -1.121  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.095   2.649   1.167  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.114   0.074   2.483  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.475   1.096   3.009  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.485   1.834   2.528  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.744   3.373   1.672  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.677   3.005   3.142  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.345  -1.218   0.463  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.869  -1.118  -0.451  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.940   0.142  -1.518  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.291   1.831  -0.542  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.262   2.196  -1.948  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.309   0.756  -1.960  1.00  0.00           H  
HETATM   51  H   UNL     1       2.621  -3.066   0.311  1.00  0.00           H  
HETATM   52  H   UNL     1       1.193  -4.878  -0.768  1.00  0.00           H  
CONECT    1    4   11   18   31                                       
CONECT    2    3    4    5    5                                       
CONECT    3    2    6    7                                            
CONECT    4    1    2   28                                            
CONECT    5    2    2    8                                            
CONECT    6    3    9   10   10                                       
CONECT    7    3   11   34   35                                       
CONECT    8    5    9    9   17                                       
CONECT    9    6    8    8   38                                       
CONECT   10    6    6                                                 
CONECT   11    1    7   32   33                                       
CONECT   12   13   17   29   39                                       
CONECT   13   12   14   40   41                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   45   46                                       
CONECT   16   15   17   30   47                                       
CONECT   17    8   12   16                                            
CONECT   18    1   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   23   26                                                 
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   26   52                                       
CONECT   26   22   25   25   27                                       
CONECT   27   26                                                      
CONECT   28    4   23   36   37                                       
CONECT   29   12   42   43   44                                       
CONECT   30   16   48   49   50                                       
CONECT   31    1                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   28                                                      
CONECT   37   28                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   29                                                      
CONECT   43   29                                                      
CONECT   44   29                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
