COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.066   1.857  -0.187  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.960  -1.140  -1.207  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.043  -0.910  -2.033  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.097  -0.131  -1.592  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.596  -0.923   0.389  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.437  -0.892  -0.816  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.987   0.199   0.504  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.254  -1.159   0.671  1.00  0.00           C  
HETATM    9  C   UNL     1       0.298  -1.248  -0.928  1.00  0.00           C  
HETATM   10  C   UNL     1       1.133  -1.366   0.106  1.00  0.00           C  
HETATM   11  C   UNL     1       2.631  -1.507   0.021  1.00  0.00           C  
HETATM   12  C   UNL     1       3.276  -0.119   0.046  1.00  0.00           C  
HETATM   13  C   UNL     1       5.751   3.167   0.053  1.00  0.00           C  
HETATM   14  C   UNL     1       5.536   0.874  -0.031  1.00  0.00           C  
HETATM   15  C   UNL     1       7.683   1.921  -0.106  1.00  0.00           C  
HETATM   16  C   UNL     1       6.921   0.756  -0.109  1.00  0.00           C  
HETATM   17 BR   UNL     1       7.745  -0.942  -0.223  1.00  0.00          Br  
HETATM   18  N   UNL     1       4.995   2.088   0.048  1.00  0.00           N  
HETATM   19  N   UNL     1       7.064   3.097  -0.024  1.00  0.00           N  
HETATM   20  N   UNL     1       4.732  -0.256  -0.036  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.975  -1.138  -0.595  1.00  0.00           N  
HETATM   22  S   UNL     1       0.180  -1.326   1.587  1.00  0.00           S  
HETATM   23  N   UNL     1      -2.533  -1.056   1.206  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.836  -0.823   0.908  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.930  -0.587   0.067  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.070   0.421  -0.325  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.221   1.269   0.152  1.00  0.00           C  
HETATM   28  F   UNL     1     -10.187   1.353  -0.857  1.00  0.00           F  
HETATM   29  F   UNL     1      -9.786   0.690   1.293  1.00  0.00           F  
HETATM   30  F   UNL     1      -8.758   2.553   0.461  1.00  0.00           F  
HETATM   31  H   UNL     1       9.590   2.674  -0.184  1.00  0.00           H  
HETATM   32  H   UNL     1       9.510   0.996  -0.242  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.139  -1.752  -1.551  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.066  -1.339  -3.024  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.943   0.048  -2.240  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.967   0.630   1.494  1.00  0.00           H  
HETATM   37  H   UNL     1       0.636  -1.241  -1.953  1.00  0.00           H  
HETATM   38  H   UNL     1       2.990  -2.089   0.870  1.00  0.00           H  
HETATM   39  H   UNL     1       2.897  -2.015  -0.906  1.00  0.00           H  
HETATM   40  H   UNL     1       2.917   0.463  -0.803  1.00  0.00           H  
HETATM   41  H   UNL     1       3.010   0.388   0.973  1.00  0.00           H  
HETATM   42  H   UNL     1       5.280   4.137   0.118  1.00  0.00           H  
HETATM   43  H   UNL     1       5.134  -1.137  -0.094  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.660  -1.081   2.167  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.971  -0.914   1.864  1.00  0.00           H  
CONECT    1   15   31   32                                            
CONECT    2    3    3   25   33                                       
CONECT    3    2    2    4   34                                       
CONECT    4    3   26   26   35                                       
CONECT    5    6    6   24   23                                       
CONECT    6    5    5                                                 
CONECT    7   26   25   25   36                                       
CONECT    8   22   23   21   21                                       
CONECT    9   10   10   21   37                                       
CONECT   10    9    9   11   22                                       
CONECT   11   10   12   38   39                                       
CONECT   12   11   20   40   41                                       
CONECT   13   19   19   18   42                                       
CONECT   14   16   20   18   18                                       
CONECT   15    1   16   16   19                                       
CONECT   16   14   15   15   17                                       
CONECT   17   16                                                      
CONECT   18   13   14   14                                            
CONECT   19   13   13   15                                            
CONECT   20   12   14   43                                            
CONECT   21    8    8    9                                            
CONECT   22    8   10                                                 
CONECT   23    5    8   44                                            
CONECT   24    5   25   45                                            
CONECT   25    2    7    7   24                                       
CONECT   26    4    4    7   27                                       
CONECT   27   26   29   28   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
