COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.204  -1.170  -0.123  1.00  0.00           C  
HETATM    2  C   UNL     1       2.491  -0.478  -0.490  1.00  0.00           C  
HETATM    3  C   UNL     1       3.054  -1.116  -1.762  1.00  0.00           C  
HETATM    4  C   UNL     1       3.500  -0.663   0.648  1.00  0.00           C  
HETATM    5  S   UNL     1       4.912   0.442   0.319  1.00  0.00           S  
HETATM    6  N   UNL     1       4.155   1.917   0.157  1.00  0.00           N  
HETATM    7  C   UNL     1       2.941   1.944  -0.489  1.00  0.00           C  
HETATM    8  N   UNL     1       2.218   0.922  -0.748  1.00  0.00           N  
HETATM    9  N   UNL     1       2.466   3.170  -0.890  1.00  0.00           N  
HETATM   10  C   UNL     1       4.760   3.143   0.684  1.00  0.00           C  
HETATM   11  O   UNL     1       5.474   0.181  -0.960  1.00  0.00           O  
HETATM   12  O   UNL     1       5.730   0.578   1.474  1.00  0.00           O  
HETATM   13  C   UNL     1       0.032  -0.444  -0.031  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.154  -1.082   0.308  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.159  -2.449   0.553  1.00  0.00           C  
HETATM   16  C   UNL     1       0.014  -3.171   0.460  1.00  0.00           C  
HETATM   17  C   UNL     1       1.195  -2.533   0.117  1.00  0.00           C  
HETATM   18  F   UNL     1       2.342  -3.241   0.027  1.00  0.00           F  
HETATM   19  N   UNL     1      -2.342  -0.348   0.401  1.00  0.00           N  
HETATM   20  C   UNL     1      -7.109   0.082  -0.349  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.018   1.411   0.044  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.783   1.927   0.417  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.706   1.174   0.401  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.751  -0.100   0.031  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.956  -0.686  -0.350  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.510  -0.907   0.029  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.545  -2.075  -0.309  1.00  0.00           O  
HETATM   28  F   UNL     1      -8.119   2.193   0.064  1.00  0.00           F  
HETATM   29  H   UNL     1       2.333  -1.007  -2.572  1.00  0.00           H  
HETATM   30  H   UNL     1       3.986  -0.621  -2.035  1.00  0.00           H  
HETATM   31  H   UNL     1       3.243  -2.175  -1.584  1.00  0.00           H  
HETATM   32  H   UNL     1       3.036  -0.397   1.599  1.00  0.00           H  
HETATM   33  H   UNL     1       3.839  -1.698   0.678  1.00  0.00           H  
HETATM   34  H   UNL     1       2.983   3.972  -0.713  1.00  0.00           H  
HETATM   35  H   UNL     1       1.614   3.234  -1.349  1.00  0.00           H  
HETATM   36  H   UNL     1       5.391   3.595  -0.081  1.00  0.00           H  
HETATM   37  H   UNL     1       3.974   3.843   0.968  1.00  0.00           H  
HETATM   38  H   UNL     1       5.365   2.902   1.558  1.00  0.00           H  
HETATM   39  H   UNL     1       0.039   0.619  -0.222  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.080  -2.947   0.817  1.00  0.00           H  
HETATM   41  H   UNL     1       0.011  -4.234   0.651  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.324   0.563   0.734  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.056  -0.343  -0.644  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.708   2.959   0.724  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.990  -1.723  -0.650  1.00  0.00           H  
CONECT    1   17   17   13    2                                       
CONECT    2    1    3    4    8                                       
CONECT    3    2   29   30   31                                       
CONECT    4    2    5   32   33                                       
CONECT    5    4   12   12   11                                       
CONECT    5   11    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    8    8    6    9                                       
CONECT    8    2    7    7                                            
CONECT    9    7   34   35                                            
CONECT   10    6   36   37   38                                       
CONECT   11    5    5                                                 
CONECT   12    5    5                                                 
CONECT   13   14   14    1   39                                       
CONECT   14   15   19   13   13                                       
CONECT   15   16   16   14   40                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   18    1    1                                       
CONECT   18   17                                                      
CONECT   19   14   26   42                                            
CONECT   20   25   21   21   43                                       
CONECT   21   20   20   22   28                                       
CONECT   22   23   23   21   44                                       
CONECT   23   24   22   22                                            
CONECT   24   26   25   25   23                                       
CONECT   25   24   24   20   45                                       
CONECT   26   27   27   19   24                                       
CONECT   27   26   26                                                 
CONECT   28   21                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
