COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.392  -1.929   0.106  1.00  0.00           C  
HETATM    2  C   UNL     1       3.231  -2.122   1.191  1.00  0.00           C  
HETATM    3  F   UNL     1       4.386  -1.427   1.284  1.00  0.00           F  
HETATM    4  C   UNL     1       2.888  -3.031   2.176  1.00  0.00           C  
HETATM    5  C   UNL     1       1.706  -3.742   2.079  1.00  0.00           C  
HETATM    6  C   UNL     1       0.867  -3.544   0.999  1.00  0.00           C  
HETATM    7  C   UNL     1       1.208  -2.636   0.014  1.00  0.00           C  
HETATM    8  S   UNL     1       0.138  -2.385  -1.363  1.00  0.00           S  
HETATM    9  O   UNL     1       0.923  -1.729  -2.348  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.551  -3.615  -1.545  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.014  -1.288  -0.901  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.643   0.010  -0.565  1.00  0.00           C  
HETATM   13  C   UNL     1       0.608   0.534  -0.651  1.00  0.00           C  
HETATM   14  C   UNL     1       0.545   1.873  -0.215  1.00  0.00           C  
HETATM   15  C   UNL     1       1.682   2.816  -0.140  1.00  0.00           C  
HETATM   16  C   UNL     1       1.694   4.123   0.265  1.00  0.00           C  
HETATM   17  C   UNL     1       2.888   4.810   0.254  1.00  0.00           C  
HETATM   18  C   UNL     1       4.012   4.176  -0.169  1.00  0.00           C  
HETATM   19  S   UNL     1       3.396   2.547  -0.563  1.00  0.00           S  
HETATM   20  N   UNL     1      -0.703   2.139   0.115  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.470   0.987  -0.099  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.846   0.860   0.131  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.638   0.151  -0.763  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.994   0.023  -0.532  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.565   0.609   0.585  1.00  0.00           C  
HETATM   26  F   UNL     1      -6.892   0.486   0.807  1.00  0.00           F  
HETATM   27  C   UNL     1      -4.777   1.316   1.478  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.421   1.443   1.253  1.00  0.00           C  
HETATM   29  H   UNL     1       2.659  -1.219  -0.664  1.00  0.00           H  
HETATM   30  H   UNL     1       3.543  -3.186   3.021  1.00  0.00           H  
HETATM   31  H   UNL     1       1.438  -4.451   2.848  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.057  -4.099   0.924  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.947  -1.551  -0.865  1.00  0.00           H  
HETATM   34  H   UNL     1       1.493   0.016  -0.989  1.00  0.00           H  
HETATM   35  H   UNL     1       0.785   4.605   0.597  1.00  0.00           H  
HETATM   36  H   UNL     1       2.930   5.841   0.573  1.00  0.00           H  
HETATM   37  H   UNL     1       5.019   4.558  -0.246  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.193  -0.303  -1.636  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.610  -0.529  -1.227  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.224   1.770   2.350  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.807   1.995   1.949  1.00  0.00           H  
CONECT    1    2    2    7   29                                       
CONECT    2    1    1    3    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   33                                            
CONECT   12   11   13   13   21                                       
CONECT   13   12   12   14   34                                       
CONECT   14   13   15   20   20                                       
CONECT   15   14   16   16   19                                       
CONECT   16   15   15   17   35                                       
CONECT   17   16   18   18   36                                       
CONECT   18   17   17   19   37                                       
CONECT   19   15   18                                                 
CONECT   20   14   14   21                                            
CONECT   21   12   20   22                                            
CONECT   22   21   23   28   28                                       
CONECT   23   22   24   24   38                                       
CONECT   24   23   23   25   39                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   25   25   28   40                                       
CONECT   28   22   22   27   41                                       
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
