COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.820   1.533   1.450  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.478   1.389   0.103  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.290   2.022  -0.344  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.566   2.712   0.524  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.023   2.251   2.251  1.00  0.00           N  
HETATM    6  F   UNL     1      -4.036  -2.445  -1.016  1.00  0.00           F  
HETATM    7  C   UNL     1      -5.201  -2.190  -0.286  1.00  0.00           C  
HETATM    8  F   UNL     1      -6.244  -2.981  -0.780  1.00  0.00           F  
HETATM    9  F   UNL     1      -4.984  -2.493   1.062  1.00  0.00           F  
HETATM   10  C   UNL     1      -5.574  -0.712  -0.423  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.451   0.141   0.109  1.00  0.00           C  
HETATM   12  S   UNL     1      -4.314   0.666   1.776  1.00  0.00           S  
HETATM   13  C   UNL     1      -3.445   0.584  -0.620  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.932   2.818   1.789  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.894   1.919  -1.665  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.761   0.512  -2.068  1.00  0.00           C  
HETATM   17  C   UNL     1       0.365  -0.142  -1.263  1.00  0.00           C  
HETATM   18  C   UNL     1       0.359   2.651  -1.897  1.00  0.00           C  
HETATM   19  C   UNL     1       1.485   1.997  -1.093  1.00  0.00           C  
HETATM   20  N   UNL     1       1.618   0.590  -1.495  1.00  0.00           N  
HETATM   21  C   UNL     1       2.677  -0.017  -0.837  1.00  0.00           C  
HETATM   22  S   UNL     1       4.355   0.530  -0.837  1.00  0.00           S  
HETATM   23  N   UNL     1       2.612  -1.091  -0.103  1.00  0.00           N  
HETATM   24  N   UNL     1       3.680  -1.505   0.423  1.00  0.00           N  
HETATM   25  C   UNL     1       4.765  -0.837   0.200  1.00  0.00           C  
HETATM   26  C   UNL     1       6.135  -1.165   0.736  1.00  0.00           C  
HETATM   27  F   UNL     1       6.550  -0.153   1.607  1.00  0.00           F  
HETATM   28  F   UNL     1       6.087  -2.382   1.424  1.00  0.00           F  
HETATM   29  F   UNL     1       7.039  -1.266  -0.327  1.00  0.00           F  
HETATM   30  H   UNL     1      -5.744  -0.475  -1.473  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.483  -0.512   0.146  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.351   0.367  -1.673  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.314   3.390   2.465  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.697  -0.011  -1.875  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.527   0.459  -3.131  1.00  0.00           H  
HETATM   36  H   UNL     1       0.118  -0.112  -0.202  1.00  0.00           H  
HETATM   37  H   UNL     1       0.484  -1.178  -1.580  1.00  0.00           H  
HETATM   38  H   UNL     1       0.607   2.622  -2.958  1.00  0.00           H  
HETATM   39  H   UNL     1       0.240   3.687  -1.580  1.00  0.00           H  
HETATM   40  H   UNL     1       2.422   2.521  -1.286  1.00  0.00           H  
HETATM   41  H   UNL     1       1.251   2.051  -0.029  1.00  0.00           H  
CONECT    1   12    5    5    2                                       
CONECT    2    1   13    3    3                                       
CONECT    3    2    2    4   15                                       
CONECT    4   14   14    3                                            
CONECT    5    1    1   14                                            
CONECT    6    7                                                      
CONECT    7   10    8    9    6                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10   11    7   30   31                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11    1                                                 
CONECT   13   11   11    2   32                                       
CONECT   14    5    4    4   33                                       
CONECT   15   16    3   18                                            
CONECT   16   17   15   34   35                                       
CONECT   17   16   20   36   37                                       
CONECT   18   15   19   38   39                                       
CONECT   19   20   18   40   41                                       
CONECT   20   17   21   19                                            
CONECT   21   22   20   23   23                                       
CONECT   22   25   21                                                 
CONECT   23   21   21   24                                            
CONECT   24   25   25   23                                            
CONECT   25   26   22   24   24                                       
CONECT   26   29   27   28   25                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
