COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.091   2.638  -0.269  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.128   3.994  -0.170  1.00  0.00           N  
HETATM    3  C   UNL     1       0.176   4.147  -0.164  1.00  0.00           C  
HETATM    4  C   UNL     1       0.527   1.782  -0.356  1.00  0.00           C  
HETATM    5  C   UNL     1       2.632   0.724   0.116  1.00  0.00           C  
HETATM    6  C   UNL     1       4.774   0.233   0.766  1.00  0.00           C  
HETATM    7  C   UNL     1       5.935  -0.568   0.818  1.00  0.00           C  
HETATM    8  C   UNL     1       5.959  -1.756   0.163  1.00  0.00           C  
HETATM    9  C   UNL     1       3.619  -0.251  -0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.477   0.366  -0.458  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.656  -0.886   1.893  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.771  -1.877   1.134  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.395  -1.945   1.799  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.419  -3.262   1.160  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.586  -1.328  -0.585  1.00  0.00           S  
HETATM   16  O   UNL     1      -2.619  -2.120  -1.260  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.857  -1.071  -1.166  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.836   0.262  -0.461  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.639   1.395  -0.366  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.693   2.785  -0.265  1.00  0.00           C  
HETATM   21  C   UNL     1       1.041   3.066  -0.255  1.00  0.00           C  
HETATM   22  N   UNL     1       1.365   0.681  -0.448  1.00  0.00           N  
HETATM   23  N   UNL     1       3.126   1.712   0.883  1.00  0.00           N  
HETATM   24  N   UNL     1       4.433   1.404   1.274  1.00  0.00           N  
HETATM   25  C   UNL     1       4.860  -2.216  -0.569  1.00  0.00           C  
HETATM   26  F   UNL     1       4.940  -3.407  -1.201  1.00  0.00           F  
HETATM   27  C   UNL     1       3.711  -1.493  -0.660  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.880   1.630  -0.361  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.728   3.507  -0.201  1.00  0.00           H  
HETATM   30  H   UNL     1       0.587   5.143  -0.086  1.00  0.00           H  
HETATM   31  H   UNL     1       6.799  -0.238   1.375  1.00  0.00           H  
HETATM   32  H   UNL     1       6.851  -2.364   0.208  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.864  -0.520  -0.532  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.767  -1.215   2.926  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.194   0.102   1.875  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.636  -0.837   1.420  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.506  -2.275   2.832  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.765  -2.651   1.258  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.933  -0.958   1.780  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.400  -3.214   0.687  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.789  -3.968   0.619  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.531  -3.592   2.193  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.714   1.287  -0.369  1.00  0.00           H  
HETATM   44  H   UNL     1       2.109   3.224  -0.248  1.00  0.00           H  
HETATM   45  H   UNL     1       1.066  -0.119  -0.908  1.00  0.00           H  
HETATM   46  H   UNL     1       2.646   2.519   1.127  1.00  0.00           H  
HETATM   47  H   UNL     1       2.876  -1.870  -1.231  1.00  0.00           H  
CONECT    1   19   19   20   29                                       
CONECT    2   20   20    3                                            
CONECT    3    2   21   21   30                                       
CONECT    4   28   28   21   22                                       
CONECT    5   22    9    9   23                                       
CONECT    6    9   24   24    7                                       
CONECT    7    8    8    6   31                                       
CONECT    8   25    7    7   32                                       
CONECT    9   27    5    5    6                                       
CONECT   10   18   18   28   33                                       
CONECT   11   12   34   35   36                                       
CONECT   12   13   15   11   14                                       
CONECT   13   12   37   38   39                                       
CONECT   14   12   40   41   42                                       
CONECT   15   17   17   18   12                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   19   15   10   10                                       
CONECT   19    1    1   18   43                                       
CONECT   20    1    2    2   28                                       
CONECT   21    3    3    4   44                                       
CONECT   22    4    5   45                                            
CONECT   23    5   24   46                                            
CONECT   24   23    6    6                                            
CONECT   25   26   27   27    8                                       
CONECT   26   25                                                      
CONECT   27   25   25    9   47                                       
CONECT   28   20   10    4    4                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
