COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.134  -5.464   0.935  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.255  -4.565   0.190  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.405  -3.437  -0.744  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.252  -2.491  -0.171  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.024  -1.059  -0.990  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.489   0.157  -0.278  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.006   1.730   0.248  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.671   2.422   0.139  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.391   2.818  -1.327  1.00  0.00           C  
HETATM   10  C   UNL     1       0.339   1.343  -0.753  1.00  0.00           C  
HETATM   11  C   UNL     1       1.798   1.257  -0.386  1.00  0.00           C  
HETATM   12  C   UNL     1       3.781   0.589  -0.045  1.00  0.00           C  
HETATM   13  C   UNL     1       4.999  -0.254   0.040  1.00  0.00           C  
HETATM   14  C   UNL     1       4.955  -1.588  -0.361  1.00  0.00           C  
HETATM   15  C   UNL     1       6.090  -2.369  -0.281  1.00  0.00           C  
HETATM   16  C   UNL     1       7.272  -1.828   0.198  1.00  0.00           C  
HETATM   17  C   UNL     1       7.321  -0.502   0.598  1.00  0.00           C  
HETATM   18  C   UNL     1       6.192   0.287   0.515  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.533   1.452   0.516  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.974   2.153   1.067  1.00  0.00           C  
HETATM   21  F   UNL     1       8.381  -2.596   0.275  1.00  0.00           F  
HETATM   22  N   UNL     1      -4.702  -2.263  -0.212  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.315   0.661  -0.457  1.00  0.00           N  
HETATM   24  N   UNL     1       0.067   2.597  -1.502  1.00  0.00           N  
HETATM   25  N   UNL     1       2.563   0.198  -0.484  1.00  0.00           N  
HETATM   26  N   UNL     1       3.686   1.850   0.288  1.00  0.00           N  
HETATM   27  O   UNL     1      -1.640   3.575   0.982  1.00  0.00           O  
HETATM   28  O   UNL     1       2.556   2.247   0.097  1.00  0.00           O  
HETATM   29  S   UNL     1      -5.353   1.073   0.879  1.00  0.00           S  
HETATM   30  H   UNL     1      -5.027  -6.268   1.601  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.981  -3.707  -1.711  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.463  -3.204  -0.864  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.762  -1.635   0.292  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.041  -3.388   0.411  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.875  -2.620  -1.186  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.105  -0.972  -1.095  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.568  -1.132  -1.977  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.957   2.181  -2.007  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.642   3.866  -1.492  1.00  0.00           H  
HETATM   40  H   UNL     1       0.045   0.476  -1.344  1.00  0.00           H  
HETATM   41  H   UNL     1       4.033  -2.010  -0.734  1.00  0.00           H  
HETATM   42  H   UNL     1       6.056  -3.402  -0.591  1.00  0.00           H  
HETATM   43  H   UNL     1       8.244  -0.085   0.971  1.00  0.00           H  
HETATM   44  H   UNL     1       6.232   1.321   0.823  1.00  0.00           H  
HETATM   45  H   UNL     1       0.051   1.856   1.343  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.939   0.475   0.781  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.921   3.007   1.727  1.00  0.00           H  
HETATM   48  H   UNL     1       0.302   2.494  -2.478  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.321   4.231   0.776  1.00  0.00           H  
CONECT    1    2    2    2   30                                       
CONECT    2    1    1    1    3                                       
CONECT    3    2   22   31   32                                       
CONECT    4   22   33   34   35                                       
CONECT    5   22    6   36   37                                       
CONECT    6    5   23   23   29                                       
CONECT    7   23    8   20   20                                       
CONECT    8   27    9    7   19                                       
CONECT    9    8   24   38   39                                       
CONECT   10   24   11   19   40                                       
CONECT   11   25   25   10   28                                       
CONECT   12   25   13   26   26                                       
CONECT   13   14   14   12   18                                       
CONECT   14   13   13   15   41                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   21   17                                       
CONECT   17   16   18   18   43                                       
CONECT   18   17   17   13   44                                       
CONECT   19   10    8   45   46                                       
CONECT   20    7    7   29   47                                       
CONECT   21   16                                                      
CONECT   22    3    4    5                                            
CONECT   23    6    6    7                                            
CONECT   24    9   10   48                                            
CONECT   25   11   11   12                                            
CONECT   26   12   12   28                                            
CONECT   27    8   49                                                 
CONECT   28   26   11                                                 
CONECT   29   20    6                                                 
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
