COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.449  -1.834  -0.665  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.002  -0.804   0.321  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.515  -1.166   0.346  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.565  -0.169  -0.165  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.840   1.148   0.395  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.989   2.153  -0.278  1.00  0.00           N  
HETATM    7  S   UNL     1       0.652   1.944  -0.042  1.00  0.00           S  
HETATM    8  O   UNL     1       0.943   2.400   1.272  1.00  0.00           O  
HETATM    9  O   UNL     1       1.303   2.434  -1.207  1.00  0.00           O  
HETATM   10  C   UNL     1       0.857   0.186  -0.034  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.259  -0.635  -0.079  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.069  -2.020  -0.045  1.00  0.00           C  
HETATM   13  C   UNL     1       1.200  -2.552   0.016  1.00  0.00           C  
HETATM   14  C   UNL     1       2.306  -1.720   0.043  1.00  0.00           C  
HETATM   15  F   UNL     1       3.551  -2.244   0.092  1.00  0.00           F  
HETATM   16  C   UNL     1       2.128  -0.347   0.019  1.00  0.00           C  
HETATM   17  H   UNL     1      -3.706  -2.880  -0.498  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.358  -1.534  -1.709  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.275   0.175  -0.074  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.623  -1.171   1.138  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.158  -1.772   1.179  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.889   1.397   0.240  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.621   1.142   1.463  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.355   2.875  -0.812  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.925  -2.678  -0.065  1.00  0.00           H  
HETATM   26  H   UNL     1       1.333  -3.623   0.042  1.00  0.00           H  
HETATM   27  H   UNL     1       2.987   0.308   0.042  1.00  0.00           H  
CONECT    1    2    3   17   18                                       
CONECT    2    3    1   19   20                                       
CONECT    3    4    2    1   21                                       
CONECT    4    5   11    3                                            
CONECT    5    6    4   22   23                                       
CONECT    6    7    5   24                                            
CONECT    7    9    9    6    8                                       
CONECT    7    8   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   16   16   11                                       
CONECT   11   10    4   12   12                                       
CONECT   12   11   11   13   25                                       
CONECT   13   14   14   12   26                                       
CONECT   14   16   15   13   13                                       
CONECT   15   14                                                      
CONECT   16   10   10   14   27                                       
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
