COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.926   0.229  -0.021  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.808   1.009   0.237  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.023  -1.333  -0.094  1.00  0.00           C  
HETATM    4  C   UNL     1       1.314  -1.054   0.252  1.00  0.00           C  
HETATM    5  C   UNL     1       2.405  -0.300  -0.160  1.00  0.00           C  
HETATM    6  C   UNL     1       3.679  -0.825  -0.068  1.00  0.00           C  
HETATM    7  C   UNL     1       3.869  -2.099   0.435  1.00  0.00           C  
HETATM    8  C   UNL     1       2.784  -2.852   0.846  1.00  0.00           C  
HETATM    9  C   UNL     1       1.508  -2.333   0.757  1.00  0.00           C  
HETATM   10  C   UNL     1       4.864  -0.008  -0.516  1.00  0.00           C  
HETATM   11  C   UNL     1       5.423   2.244   0.150  1.00  0.00           C  
HETATM   12  C   UNL     1       6.809   1.853   0.576  1.00  0.00           C  
HETATM   13 BR   UNL     1      -6.655   0.994   0.019  1.00  0.00          Br  
HETATM   14  N   UNL     1      -2.601   0.490   0.206  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.401  -0.793  -0.070  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.477  -1.636  -0.339  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.762  -1.117  -0.315  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.834  -2.507  -0.346  1.00  0.00           O  
HETATM   19  N   UNL     1       0.023  -0.523   0.165  1.00  0.00           N  
HETATM   20  N   UNL     1       4.575   1.410  -0.326  1.00  0.00           N  
HETATM   21  O   UNL     1       7.128   0.559   0.064  1.00  0.00           O  
HETATM   22  C   UNL     1       6.093  -0.403   0.306  1.00  0.00           C  
HETATM   23  N   UNL     1       5.048   3.556   0.275  1.00  0.00           N  
HETATM   24  C   UNL     1       5.136  -0.278  -1.997  1.00  0.00           C  
HETATM   25  H   UNL     1      -3.932   2.057   0.466  1.00  0.00           H  
HETATM   26  H   UNL     1       2.257   0.695  -0.554  1.00  0.00           H  
HETATM   27  H   UNL     1       4.866  -2.507   0.506  1.00  0.00           H  
HETATM   28  H   UNL     1       2.936  -3.847   1.238  1.00  0.00           H  
HETATM   29  H   UNL     1       0.661  -2.921   1.080  1.00  0.00           H  
HETATM   30  H   UNL     1       7.525   2.580   0.193  1.00  0.00           H  
HETATM   31  H   UNL     1       6.861   1.834   1.665  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.313  -2.680  -0.564  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.616  -1.745  -0.520  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.120   0.428   0.291  1.00  0.00           H  
HETATM   35  H   UNL     1       5.839  -0.410   1.366  1.00  0.00           H  
HETATM   36  H   UNL     1       6.435  -1.393   0.004  1.00  0.00           H  
HETATM   37  H   UNL     1       4.158   3.834   0.007  1.00  0.00           H  
HETATM   38  H   UNL     1       5.672   4.207   0.633  1.00  0.00           H  
HETATM   39  H   UNL     1       4.260   0.000  -2.583  1.00  0.00           H  
HETATM   40  H   UNL     1       5.992   0.313  -2.322  1.00  0.00           H  
HETATM   41  H   UNL     1       5.348  -1.337  -2.141  1.00  0.00           H  
CONECT    1   13   17   17    2                                       
CONECT    2    1   14   14   25                                       
CONECT    3   15   19   18   18                                       
CONECT    4   19    5    5    9                                       
CONECT    5    4    4    6   26                                       
CONECT    6    5   10    7    7                                       
CONECT    7    6    6    8   27                                       
CONECT    8    9    9    7   28                                       
CONECT    9    4    8    8   29                                       
CONECT   10   22   20    6   24                                       
CONECT   11   12   23   20   20                                       
CONECT   12   21   11   30   31                                       
CONECT   13    1                                                      
CONECT   14    2    2   15                                            
CONECT   15   16   16   14    3                                       
CONECT   16   17   15   15   32                                       
CONECT   17    1    1   16   33                                       
CONECT   18    3    3                                                 
CONECT   19    3    4   34                                            
CONECT   20   11   11   10                                            
CONECT   21   12   22                                                 
CONECT   22   21   10   35   36                                       
CONECT   23   11   37   38                                            
CONECT   24   10   39   40   41                                       
CONECT   25    2                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   19                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
