COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -1.084  -4.174   0.585  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.032  -3.219   0.462  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.673  -1.934   0.100  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.361  -3.532   0.694  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.337  -2.561   0.571  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.990  -1.269   0.213  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.950  -0.315   0.091  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.650  -0.950  -0.027  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.271   0.431  -0.415  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.238   1.086   0.252  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.943   1.075  -1.452  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.585   2.359  -1.809  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.563   3.007  -1.140  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.889   2.370  -0.113  1.00  0.00           C  
HETATM   15  S   UNL     1       0.417   3.200   0.729  1.00  0.00           S  
HETATM   16  O   UNL     1       0.206   4.590   0.526  1.00  0.00           O  
HETATM   17  O   UNL     1       0.504   2.607   2.018  1.00  0.00           O  
HETATM   18  N   UNL     1       1.825   2.822  -0.055  1.00  0.00           N  
HETATM   19  C   UNL     1       2.289   1.511  -0.058  1.00  0.00           C  
HETATM   20  C   UNL     1       2.871   0.978   1.091  1.00  0.00           C  
HETATM   21  C   UNL     1       3.330  -0.307   1.100  1.00  0.00           C  
HETATM   22  C   UNL     1       2.166   0.735  -1.204  1.00  0.00           C  
HETATM   23  C   UNL     1       2.627  -0.569  -1.207  1.00  0.00           C  
HETATM   24  O   UNL     1       2.510  -1.332  -2.322  1.00  0.00           O  
HETATM   25  C   UNL     1       3.219  -1.100  -0.048  1.00  0.00           C  
HETATM   26  C   UNL     1       3.714  -2.484  -0.039  1.00  0.00           C  
HETATM   27  O   UNL     1       4.275  -2.993   1.076  1.00  0.00           O  
HETATM   28  O   UNL     1       3.616  -3.171  -1.038  1.00  0.00           O  
HETATM   29  H   UNL     1      -0.636  -1.694  -0.084  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.636  -4.538   0.973  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.372  -2.811   0.753  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.128   0.171   0.908  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.711   0.590   1.054  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.741   0.570  -1.976  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.105   2.860  -2.613  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.286   4.012  -1.423  1.00  0.00           H  
HETATM   37  H   UNL     1       2.326   3.514  -0.513  1.00  0.00           H  
HETATM   38  H   UNL     1       2.960   1.586   1.980  1.00  0.00           H  
HETATM   39  H   UNL     1       3.780  -0.713   1.994  1.00  0.00           H  
HETATM   40  H   UNL     1       1.710   1.149  -2.091  1.00  0.00           H  
HETATM   41  H   UNL     1       3.266  -1.273  -2.921  1.00  0.00           H  
HETATM   42  H   UNL     1       4.586  -3.907   1.033  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    4    4    3                                       
CONECT    3    2    8    8   29                                       
CONECT    4    2    2    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    8    7                                       
CONECT    7    6   32                                                 
CONECT    8    3    3    6    9                                       
CONECT    9   10    8   11   11                                       
CONECT   10   14   14    9   33                                       
CONECT   11    9    9   12   34                                       
CONECT   12   13   13   11   35                                       
CONECT   13   14   12   12   36                                       
CONECT   14   15   10   10   13                                       
CONECT   15   16   16   18   17                                       
CONECT   15   17   14                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   37                                            
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   38                                       
CONECT   21   20   25   25   39                                       
CONECT   22   19   23   23   40                                       
CONECT   23   25   22   22   24                                       
CONECT   24   23   41                                                 
CONECT   25   21   21   23   26                                       
CONECT   26   25   28   28   27                                       
CONECT   27   26   42                                                 
CONECT   28   26   26                                                 
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
