COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.404   1.110   0.135  1.00  0.00           C  
HETATM    2  C   UNL     1       5.310   1.420  -0.897  1.00  0.00           C  
HETATM    3  C   UNL     1       4.476  -0.341   0.321  1.00  0.00           C  
HETATM    4  C   UNL     1       1.900  -2.523  -0.037  1.00  0.00           C  
HETATM    5  C   UNL     1       0.428  -2.245  -0.265  1.00  0.00           C  
HETATM    6  C   UNL     1       1.260  -0.614   0.992  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.093  -0.481   0.432  1.00  0.00           C  
HETATM    8  C   UNL     1       2.094  -3.846   0.705  1.00  0.00           C  
HETATM    9  C   UNL     1       2.657  -2.538  -1.367  1.00  0.00           C  
HETATM   10  O   UNL     1       1.275   0.412   1.644  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.296   0.630   1.240  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.537   1.232   1.287  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.584   0.726   0.525  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.380  -0.386  -0.283  1.00  0.00           C  
HETATM   15  C   UNL     1       3.675   2.136   0.741  1.00  0.00           C  
HETATM   16  C   UNL     1       3.873   3.427   0.290  1.00  0.00           C  
HETATM   17  C   UNL     1       4.777   3.659  -0.735  1.00  0.00           C  
HETATM   18  N   UNL     1       5.460   2.678  -1.287  1.00  0.00           N  
HETATM   19  N   UNL     1       5.882   0.236  -1.298  1.00  0.00           N  
HETATM   20  C   UNL     1       5.374  -0.802  -0.563  1.00  0.00           C  
HETATM   21  C   UNL     1       3.692  -1.159   1.314  1.00  0.00           C  
HETATM   22  N   UNL     1       2.341  -1.391   0.797  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.354  -2.918  -0.903  1.00  0.00           O  
HETATM   24  N   UNL     1       0.168  -1.096   0.389  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.138  -0.987  -0.329  1.00  0.00           C  
HETATM   26  S   UNL     1      -5.169   1.493   0.586  1.00  0.00           S  
HETATM   27  C   UNL     1      -6.155   0.483  -0.554  1.00  0.00           C  
HETATM   28  F   UNL     1      -7.460   0.983  -0.609  1.00  0.00           F  
HETATM   29  F   UNL     1      -5.584   0.528  -1.830  1.00  0.00           F  
HETATM   30  F   UNL     1      -6.181  -0.840  -0.101  1.00  0.00           F  
HETATM   31  H   UNL     1       1.508  -3.836   1.624  1.00  0.00           H  
HETATM   32  H   UNL     1       1.763  -4.670   0.072  1.00  0.00           H  
HETATM   33  H   UNL     1       3.148  -3.976   0.948  1.00  0.00           H  
HETATM   34  H   UNL     1       3.726  -2.635  -1.176  1.00  0.00           H  
HETATM   35  H   UNL     1       2.318  -3.381  -1.969  1.00  0.00           H  
HETATM   36  H   UNL     1       2.467  -1.608  -1.904  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.483   1.023   1.831  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.695   2.095   1.916  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.193  -0.779  -0.875  1.00  0.00           H  
HETATM   40  H   UNL     1       2.977   1.926   1.538  1.00  0.00           H  
HETATM   41  H   UNL     1       3.329   4.248   0.732  1.00  0.00           H  
HETATM   42  H   UNL     1       4.930   4.669  -1.085  1.00  0.00           H  
HETATM   43  H   UNL     1       6.547   0.149  -1.998  1.00  0.00           H  
HETATM   44  H   UNL     1       5.656  -1.839  -0.678  1.00  0.00           H  
HETATM   45  H   UNL     1       4.190  -2.115   1.471  1.00  0.00           H  
HETATM   46  H   UNL     1       3.631  -0.621   2.260  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.980  -1.850  -0.958  1.00  0.00           H  
CONECT    1   15    3    2    2                                       
CONECT    2    1    1   18   19                                       
CONECT    3   21    1   20   20                                       
CONECT    4    8   22    9    5                                       
CONECT    5    4   23   23   24                                       
CONECT    6   22   24   10   10                                       
CONECT    7   24   11   11   25                                       
CONECT    8    4   31   32   33                                       
CONECT    9    4   34   35   36                                       
CONECT   10    6    6                                                 
CONECT   11    7    7   12   37                                       
CONECT   12   11   13   13   38                                       
CONECT   13   12   12   14   26                                       
CONECT   14   25   25   13   39                                       
CONECT   15   16   16    1   40                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   18   18   42                                       
CONECT   18   17   17    2                                            
CONECT   19    2   20   43                                            
CONECT   20    3    3   19   44                                       
CONECT   21   22    3   45   46                                       
CONECT   22   21    4    6                                            
CONECT   23    5    5                                                 
CONECT   24    5    6    7                                            
CONECT   25    7   14   14   47                                       
CONECT   26   13   27                                                 
CONECT   27   29   30   26   28                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
