COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -3.635   9.644  19.952  1.00  0.00           F  
HETATM    2  C   UNL     1      -4.834   9.066  19.959  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.061   8.009  19.082  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.298   7.388  19.084  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.538   6.278  18.186  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.324   4.985  18.565  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.539   3.930  17.755  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.015   4.177  16.448  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.245   5.445  16.046  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.011   6.564  16.896  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.193   7.725  16.568  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.285   7.842  19.972  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.054   8.919  20.841  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.804   9.548  20.834  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.505  10.602  21.664  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.214  11.808  21.143  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.234  11.971  19.940  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.865  13.006  22.017  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.803  12.649  23.418  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.483  13.157  24.441  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.585  10.742  26.021  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.342  10.153  25.837  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.614  10.394  24.892  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.066   9.086  26.798  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.713   8.727  27.943  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.178   7.559  28.516  1.00  0.00           C  
HETATM   27  S   UNL     1      -0.819   8.004  26.374  1.00  0.00           S  
HETATM   28  C   UNL     1      -1.178   7.069  27.760  1.00  0.00           C  
HETATM   29 CL   UNL     1      -0.251   5.657  27.999  1.00  0.00          Cl  
HETATM   30  N   UNL     1      -5.148  12.546  25.569  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.976  11.678  23.856  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.204  11.712  25.143  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.283   7.678  18.410  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.246   7.350  19.987  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.964   4.798  19.566  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.352   2.922  18.096  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.194   3.354  15.772  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.619   5.617  15.047  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.832   9.259  21.508  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.504  10.472  22.656  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.883  13.394  21.708  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.652  13.764  21.890  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.207  13.955  24.364  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.100  10.472  26.834  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.542   9.277  28.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.523   7.115  29.438  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3   14   14                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5   12                                       
CONECT    5    4    6   10                                            
CONECT    6    5    7    7   35                                       
CONECT    7    6    6    8   36                                       
CONECT    8    7    9    9   37                                       
CONECT    9    8    8   10   38                                       
CONECT   10    5    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    4   13   13   34                                       
CONECT   13   12   12   14   39                                       
CONECT   14    2    2   13   15                                       
CONECT   15   14   16   40                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   41   42                                       
CONECT   19   18   20   31                                            
CONECT   20   19   30   30   43                                       
CONECT   21   22   32   44                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   25   27                                       
CONECT   25   24   24   26   45                                       
CONECT   26   25   28   28   46                                       
CONECT   27   24   28                                                 
CONECT   28   26   26   27   29                                       
CONECT   29   28                                                      
CONECT   30   20   20   32                                            
CONECT   31   19   32   32                                            
CONECT   32   21   30   31   31                                       
CONECT   33    3                                                      
CONECT   34   12                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
