COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.572   1.036   0.228  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.483  -1.170   0.024  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.643  -2.122  -0.117  1.00  0.00           C  
HETATM    4  C   UNL     1       5.540  -2.205   0.072  1.00  0.00           C  
HETATM    5  C   UNL     1       6.288  -2.838   1.247  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.115   1.212   0.127  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.523   2.439   0.402  1.00  0.00           C  
HETATM    8  C   UNL     1       0.865   2.569   0.296  1.00  0.00           C  
HETATM    9  C   UNL     1       1.640   1.525  -0.068  1.00  0.00           C  
HETATM   10  N   UNL     1       1.108   0.304  -0.348  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.248   0.097  -0.260  1.00  0.00           C  
HETATM   12  C   UNL     1       1.639  -0.891  -0.729  1.00  0.00           C  
HETATM   13  N   UNL     1       0.650  -1.736  -0.859  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.467  -1.163  -0.576  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.127  -0.162  -0.043  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.500  -0.328   0.052  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.371   0.589   0.395  1.00  0.00           N  
HETATM   18  N   UNL     1      -6.552   0.080   0.379  1.00  0.00           N  
HETATM   19  O   UNL     1      -5.185  -1.461  -0.188  1.00  0.00           O  
HETATM   20  C   UNL     1       3.099  -1.185  -0.958  1.00  0.00           C  
HETATM   21  S   UNL     1       3.809  -1.928   0.537  1.00  0.00           S  
HETATM   22  O   UNL     1      -3.276   1.971   0.560  1.00  0.00           O  
HETATM   23  C   UNL     1       3.132   1.716  -0.168  1.00  0.00           C  
HETATM   24  F   UNL     1       3.532   1.580  -1.501  1.00  0.00           F  
HETATM   25  F   UNL     1       3.470   2.993   0.292  1.00  0.00           F  
HETATM   26  F   UNL     1       3.779   0.752   0.614  1.00  0.00           F  
HETATM   27  H   UNL     1      -7.822  -2.620   0.836  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.534  -1.567  -0.409  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.412  -2.866  -0.879  1.00  0.00           H  
HETATM   30  H   UNL     1       6.005  -1.252  -0.183  1.00  0.00           H  
HETATM   31  H   UNL     1       5.583  -2.872  -0.788  1.00  0.00           H  
HETATM   32  H   UNL     1       6.245  -2.171   2.108  1.00  0.00           H  
HETATM   33  H   UNL     1       5.824  -3.791   1.503  1.00  0.00           H  
HETATM   34  H   UNL     1       7.329  -3.005   0.968  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.130   3.283   0.694  1.00  0.00           H  
HETATM   36  H   UNL     1       1.326   3.523   0.509  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.565  -0.909  -0.304  1.00  0.00           H  
HETATM   38  H   UNL     1       3.203  -1.878  -1.793  1.00  0.00           H  
HETATM   39  H   UNL     1       3.625  -0.258  -1.188  1.00  0.00           H  
CONECT    1   22   22   15    6                                       
CONECT    2   18   18    3   19                                       
CONECT    3    2   27   28   29                                       
CONECT    4    5   21   30   31                                       
CONECT    5    4   32   33   34                                       
CONECT    6    1   11    7    7                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9   10    8    8   23                                       
CONECT   10   11   12    9                                            
CONECT   11   14   14    6   10                                       
CONECT   12   13   13   10   20                                       
CONECT   13   14   12   12                                            
CONECT   14   13   11   11                                            
CONECT   15    1   16   37                                            
CONECT   16   17   17   15   19                                       
CONECT   17   18   16   16                                            
CONECT   18   17    2    2                                            
CONECT   19    2   16                                                 
CONECT   20   21   12   38   39                                       
CONECT   21    4   20                                                 
CONECT   22    1    1                                                 
CONECT   23   26    9   25   24                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   15                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
