COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.980   2.395   0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       3.060   1.202   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.514  -0.091  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       4.915  -0.513  -0.001  1.00  0.00           C  
HETATM    5  O   UNL     1       5.802   0.320   0.000  1.00  0.00           O  
HETATM    6  O   UNL     1       5.224  -1.827  -0.001  1.00  0.00           O  
HETATM    7  S   UNL     1       2.108  -1.154  -0.001  1.00  0.00           S  
HETATM    8  C   UNL     1       1.068   0.202   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.408   0.131   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.167   1.303  -0.004  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.545   1.229  -0.004  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.175  -0.003   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.680  -0.075   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1      -5.145  -0.103  -1.319  1.00  0.00           F  
HETATM   15  F   UNL     1      -5.091  -1.236   0.664  1.00  0.00           F  
HETATM   16  F   UNL     1      -5.201   1.046   0.655  1.00  0.00           F  
HETATM   17  C   UNL     1      -2.429  -1.168   0.005  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.051  -1.109  -0.001  1.00  0.00           C  
HETATM   19  N   UNL     1       1.758   1.308   0.005  1.00  0.00           N  
HETATM   20  H   UNL     1       4.206   2.678   1.030  1.00  0.00           H  
HETATM   21  H   UNL     1       4.905   2.141  -0.516  1.00  0.00           H  
HETATM   22  H   UNL     1       3.496   3.228  -0.507  1.00  0.00           H  
HETATM   23  H   UNL     1       6.163  -2.057  -0.001  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.676   2.265  -0.007  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.132   2.135  -0.008  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.927  -2.126   0.009  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.470  -2.019  -0.002  1.00  0.00           H  
CONECT    1    2   20   21   22                                       
CONECT    2    3    3    1   19                                       
CONECT    3    4    7    2    2                                       
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    4   23                                                 
CONECT    7    3    8                                                 
CONECT    8    7   19   19    9                                       
CONECT    9    8   10   10   18                                       
CONECT   10    9    9   11   24                                       
CONECT   11   10   12   12   25                                       
CONECT   12   11   11   17   13                                       
CONECT   13   12   16   14   15                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   13                                                      
CONECT   17   18   18   12   26                                       
CONECT   18    9   17   17   27                                       
CONECT   19    2    8    8                                            
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    6                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   17                                                      
CONECT   27   18                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
