COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -4.913  -0.497  -2.337  1.00  0.00           F  
HETATM    2  C   UNL     1      -5.361   0.068  -1.194  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.290   1.094  -1.246  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.747   1.672  -0.077  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.279   1.227   1.145  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.350   0.201   1.199  1.00  0.00           C  
HETATM    7  F   UNL     1      -4.892  -0.234   2.393  1.00  0.00           F  
HETATM    8  C   UNL     1      -4.896  -0.383   0.029  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.890  -1.503   0.087  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.496  -0.930   0.053  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.336   0.274  -0.013  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.445  -1.738   0.094  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.211  -1.230   0.063  1.00  0.00           C  
HETATM   14  N   UNL     1       0.951  -1.909   0.097  1.00  0.00           N  
HETATM   15  N   UNL     1       2.105  -1.158   0.054  1.00  0.00           N  
HETATM   16  S   UNL     1       0.231   0.432  -0.034  1.00  0.00           S  
HETATM   17  C   UNL     1       1.976   0.126  -0.015  1.00  0.00           C  
HETATM   18  C   UNL     1       3.080   1.150  -0.072  1.00  0.00           C  
HETATM   19  C   UNL     1       2.960   1.958  -1.365  1.00  0.00           C  
HETATM   20  O   UNL     1       2.973   2.028   1.051  1.00  0.00           O  
HETATM   21  C   UNL     1       4.415   0.452  -0.038  1.00  0.00           C  
HETATM   22  S   UNL     1       4.634  -1.244  -0.071  1.00  0.00           S  
HETATM   23  C   UNL     1       6.381  -1.028   0.001  1.00  0.00           C  
HETATM   24  N   UNL     1       5.558   1.047   0.015  1.00  0.00           N  
HETATM   25  C   UNL     1       6.632   0.283   0.043  1.00  0.00           C  
HETATM   26  C   UNL     1       8.030   0.844   0.112  1.00  0.00           C  
HETATM   27  H   UNL     1      -6.656   1.442  -2.200  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.471   2.472  -0.119  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.637   1.679   2.057  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.028  -2.068   1.009  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.032  -2.164  -0.769  1.00  0.00           H  
HETATM   32  H   UNL     1       0.974  -2.877   0.148  1.00  0.00           H  
HETATM   33  H   UNL     1       1.994   2.463  -1.390  1.00  0.00           H  
HETATM   34  H   UNL     1       3.758   2.699  -1.406  1.00  0.00           H  
HETATM   35  H   UNL     1       3.041   1.288  -2.221  1.00  0.00           H  
HETATM   36  H   UNL     1       3.040   1.583   1.906  1.00  0.00           H  
HETATM   37  H   UNL     1       7.119  -1.817   0.010  1.00  0.00           H  
HETATM   38  H   UNL     1       8.406   1.005  -0.899  1.00  0.00           H  
HETATM   39  H   UNL     1       8.015   1.792   0.649  1.00  0.00           H  
HETATM   40  H   UNL     1       8.678   0.141   0.633  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5   28                                       
CONECT    5    4    6    6   29                                       
CONECT    6    5    5    7    8                                       
CONECT    7    6                                                      
CONECT    8    2    2    6    9                                       
CONECT    9    8   10   30   31                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13                                            
CONECT   13   12   12   14   16                                       
CONECT   14   13   15   32                                            
CONECT   15   14   17   17                                            
CONECT   16   13   17                                                 
CONECT   17   15   15   16   18                                       
CONECT   18   17   19   20   21                                       
CONECT   19   18   33   34   35                                       
CONECT   20   18   36                                                 
CONECT   21   18   22   24   24                                       
CONECT   22   21   23                                                 
CONECT   23   22   25   25   37                                       
CONECT   24   21   21   25                                            
CONECT   25   23   23   24   26                                       
CONECT   26   25   38   39   40                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   23                                                      
CONECT   38   26                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
