COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.485   3.646   0.376  1.00  0.00           C  
HETATM    2  O   UNL     1       3.084   3.372   0.325  1.00  0.00           O  
HETATM    3  C   UNL     1       2.712   2.064   0.260  1.00  0.00           C  
HETATM    4  C   UNL     1       3.678   1.070   0.246  1.00  0.00           C  
HETATM    5  C   UNL     1       3.297  -0.261   0.181  1.00  0.00           C  
HETATM    6  N   UNL     1       4.262  -1.281   0.166  1.00  0.00           N  
HETATM    7  C   UNL     1       3.894  -2.525  -0.211  1.00  0.00           C  
HETATM    8  O   UNL     1       4.703  -3.429  -0.202  1.00  0.00           O  
HETATM    9  C   UNL     1       2.473  -2.786  -0.642  1.00  0.00           C  
HETATM   10  C   UNL     1       2.343  -2.535  -2.146  1.00  0.00           C  
HETATM   11  C   UNL     1       2.105  -4.239  -0.335  1.00  0.00           C  
HETATM   12  O   UNL     1       1.588  -1.912   0.064  1.00  0.00           O  
HETATM   13  C   UNL     1       1.946  -0.600   0.129  1.00  0.00           C  
HETATM   14  C   UNL     1       0.982   0.392   0.143  1.00  0.00           C  
HETATM   15  C   UNL     1       1.363   1.725   0.214  1.00  0.00           C  
HETATM   16  N   UNL     1       0.387   2.732   0.229  1.00  0.00           N  
HETATM   17  S   UNL     1      -1.054   2.477   1.003  1.00  0.00           S  
HETATM   18  O   UNL     1      -0.737   1.899   2.262  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.801   3.678   0.866  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.923   1.243   0.094  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.214   0.028   0.682  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.897  -0.941  -0.031  1.00  0.00           C  
HETATM   23 BR   UNL     1      -3.294  -2.604   0.776  1.00  0.00          Br  
HETATM   24  C   UNL     1      -3.290  -0.695  -1.335  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.002   0.520  -1.926  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.322   1.494  -1.211  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.041   2.692  -1.790  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.481   2.880  -3.136  1.00  0.00           C  
HETATM   29  H   UNL     1       4.916   3.175   1.259  1.00  0.00           H  
HETATM   30  H   UNL     1       4.966   3.249  -0.518  1.00  0.00           H  
HETATM   31  H   UNL     1       4.642   4.724   0.425  1.00  0.00           H  
HETATM   32  H   UNL     1       4.725   1.332   0.286  1.00  0.00           H  
HETATM   33  H   UNL     1       5.179  -1.096   0.423  1.00  0.00           H  
HETATM   34  H   UNL     1       3.015  -3.203  -2.684  1.00  0.00           H  
HETATM   35  H   UNL     1       1.316  -2.724  -2.458  1.00  0.00           H  
HETATM   36  H   UNL     1       2.606  -1.501  -2.366  1.00  0.00           H  
HETATM   37  H   UNL     1       2.199  -4.418   0.737  1.00  0.00           H  
HETATM   38  H   UNL     1       1.078  -4.428  -0.646  1.00  0.00           H  
HETATM   39  H   UNL     1       2.777  -4.905  -0.875  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.065   0.130   0.103  1.00  0.00           H  
HETATM   41  H   UNL     1       0.557   3.578  -0.215  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.908  -0.166   1.699  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.823  -1.453  -1.890  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.308   0.711  -2.944  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.020   2.130  -3.778  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.565   2.780  -3.182  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.194   3.875  -3.476  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3    1                                                 
CONECT    3   15   15    4    2                                       
CONECT    4    5    5    3   32                                       
CONECT    5   13    6    4    4                                       
CONECT    6    7    5   33                                            
CONECT    7    9    8    8    6                                       
CONECT    8    7    7                                                 
CONECT    9   10   11    7   12                                       
CONECT   10    9   34   35   36                                       
CONECT   11    9   37   38   39                                       
CONECT   12    9   13                                                 
CONECT   13   12   14   14    5                                       
CONECT   14   13   13   15   40                                       
CONECT   15   14   16    3    3                                       
CONECT   16   15   17   41                                            
CONECT   17   18   18   16   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   21   26                                       
CONECT   21   20   20   22   42                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22                                                      
CONECT   24   22   22   25   43                                       
CONECT   25   26   26   24   44                                       
CONECT   26   20   27   25   25                                       
CONECT   27   26   28                                                 
CONECT   28   27   45   46   47                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
