COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.270  -1.816  -1.076  1.00  0.00           C  
HETATM    2  C   UNL     1       1.520  -1.073  -0.602  1.00  0.00           C  
HETATM    3  C   UNL     1       2.751  -1.638  -1.314  1.00  0.00           C  
HETATM    4  C   UNL     1       3.982  -0.906  -0.847  1.00  0.00           C  
HETATM    5  C   UNL     1       4.688  -1.369   0.248  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.569   4.435   1.058  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.531   1.735  -0.645  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.491   1.320  -1.762  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.276   2.552   0.379  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.942  -1.259  -0.375  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.327  -1.300   0.122  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.390  -2.400   0.150  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.869  -3.581   0.927  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.896  -0.068  -0.535  1.00  0.00           C  
HETATM   15  C   UNL     1       5.818  -0.698   0.676  1.00  0.00           C  
HETATM   16  C   UNL     1       6.242   0.438   0.010  1.00  0.00           C  
HETATM   17  C   UNL     1       5.535   0.901  -1.085  1.00  0.00           C  
HETATM   18  C   UNL     1       4.408   0.226  -1.516  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.164  -1.765  -0.638  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.671  -4.639   1.163  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.978   0.538  -0.007  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.818  -0.356   0.425  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.729  -3.581   1.340  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.870   3.701   0.019  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.338   2.173   1.525  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.381   0.377  -1.538  1.00  0.00           O  
HETATM   27 BR   UNL     1       7.787   1.357   0.596  1.00  0.00          Br  
HETATM   28  H   UNL     1       0.158  -1.689  -2.153  1.00  0.00           H  
HETATM   29  H   UNL     1       0.368  -2.877  -0.845  1.00  0.00           H  
HETATM   30  H   UNL     1       1.422  -0.012  -0.834  1.00  0.00           H  
HETATM   31  H   UNL     1       1.632  -1.200   0.475  1.00  0.00           H  
HETATM   32  H   UNL     1       2.849  -2.699  -1.082  1.00  0.00           H  
HETATM   33  H   UNL     1       2.638  -1.510  -2.391  1.00  0.00           H  
HETATM   34  H   UNL     1       4.357  -2.256   0.768  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.002   5.341   0.634  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.362   3.813   1.472  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.868   4.704   1.848  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.720   2.330  -1.065  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.902   2.211  -2.237  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.952   0.729  -2.503  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.301   0.725  -1.342  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.024  -1.061   1.141  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.293  -2.020   0.629  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.621  -2.708  -0.869  1.00  0.00           H  
HETATM   45  H   UNL     1       6.370  -1.060   1.531  1.00  0.00           H  
HETATM   46  H   UNL     1       5.865   1.788  -1.605  1.00  0.00           H  
HETATM   47  H   UNL     1       3.859   0.586  -2.373  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.273  -2.436  -1.329  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.583  -4.640   0.833  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.336  -5.399   1.663  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.390   0.182   0.796  1.00  0.00           H  
CONECT    1   10    2   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5    5   18                                       
CONECT    5    4    4   15   34                                       
CONECT    6   24   35   36   37                                       
CONECT    7    8   21    9   38                                       
CONECT    8    7   39   40   41                                       
CONECT    9    7   24   25   25                                       
CONECT   10   19   22   22    1                                       
CONECT   11   12   14   19   42                                       
CONECT   12   13   11   43   44                                       
CONECT   13   20   23   23   12                                       
CONECT   14   21   11   26   26                                       
CONECT   15    5   16   16   45                                       
CONECT   16   15   15   17   27                                       
CONECT   17   18   18   16   46                                       
CONECT   18    4   17   17   47                                       
CONECT   19   11   10   48                                            
CONECT   20   13   49   50                                            
CONECT   21    7   14   51                                            
CONECT   22   10   10                                                 
CONECT   23   13   13                                                 
CONECT   24    9    6                                                 
CONECT   25    9    9                                                 
CONECT   26   14   14                                                 
CONECT   27   16                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
