COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.205  -0.889  -0.646  1.00  0.00           C  
HETATM    2  C   UNL     1       0.295   0.449   1.391  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.340   0.290  -0.543  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.601  -0.857   0.765  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.696   1.459  -1.103  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.421   1.387   0.162  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.365  -0.748   1.405  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.190  -1.083   0.253  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.029  -2.281   1.332  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.988  -2.312   0.212  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.037  -1.690  -1.547  1.00  0.00           O  
HETATM   12  S   UNL     1      -2.376   2.581  -0.733  1.00  0.00           S  
HETATM   13  N   UNL     1      -2.135   0.230   0.134  1.00  0.00           N  
HETATM   14  O   UNL     1      -2.202  -1.920   0.768  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.254   1.486   0.768  1.00  0.00           N  
HETATM   16  C   UNL     1       1.628   0.593   2.080  1.00  0.00           C  
HETATM   17  N   UNL     1       2.705   0.389   1.108  1.00  0.00           N  
HETATM   18  C   UNL     1       3.289   1.346   0.357  1.00  0.00           C  
HETATM   19  C   UNL     1       4.235   0.750  -0.408  1.00  0.00           C  
HETATM   20  C   UNL     1       4.227  -0.617  -0.113  1.00  0.00           C  
HETATM   21  N   UNL     1       3.314  -0.834   0.799  1.00  0.00           N  
HETATM   22  C   UNL     1       5.121  -1.660  -0.733  1.00  0.00           C  
HETATM   23  F   UNL     1       6.451  -1.401  -0.382  1.00  0.00           F  
HETATM   24  F   UNL     1       4.754  -2.927  -0.267  1.00  0.00           F  
HETATM   25  F   UNL     1       4.990  -1.619  -2.125  1.00  0.00           F  
HETATM   26 CL   UNL     1       2.899   3.038   0.370  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -4.953   1.753  -1.881  1.00  0.00           C  
HETATM   28  H   UNL     1       0.067  -1.602   1.906  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.371  -0.410   0.927  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.622  -3.195   1.302  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.524  -2.207   2.296  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.682  -1.419   1.197  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.492  -2.385  -0.751  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.334  -3.174   0.347  1.00  0.00           H  
HETATM   35  H   UNL     1       1.709   1.592   2.508  1.00  0.00           H  
HETATM   36  H   UNL     1       1.708  -0.150   2.874  1.00  0.00           H  
HETATM   37  H   UNL     1       4.880   1.243  -1.119  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.703   2.176  -1.213  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.730   2.466  -2.675  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.334   0.830  -2.318  1.00  0.00           H  
CONECT    1    8    3   11   11                                       
CONECT    2   16   15    7    7                                       
CONECT    3   13    5    5    1                                       
CONECT    4    7   13   14   14                                       
CONECT    5   12    3    3   27                                       
CONECT    6   15   15   12   13                                       
CONECT    7    2    2    4   28                                       
CONECT    8   10    1   29                                            
CONECT    9   10   30   31   32                                       
CONECT   10    9    8   33   34                                       
CONECT   11    1    1                                                 
CONECT   12    6    5                                                 
CONECT   13    6    4    3                                            
CONECT   14    4    4                                                 
CONECT   15    2    6    6                                            
CONECT   16   17    2   35   36                                       
CONECT   17   21   18   16                                            
CONECT   18   19   19   17   26                                       
CONECT   19   20   18   18   37                                       
CONECT   20   22   21   21   19                                       
CONECT   21   20   20   17                                            
CONECT   22   23   25   24   20                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   18                                                      
CONECT   27    5   38   39   40                                       
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   27                                                      
CONECT   39   27                                                      
CONECT   40   27                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
