COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.334   2.529  -0.665  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.667   1.372  -0.628  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.109  -1.857  -0.745  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.833  -2.928   0.330  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.995  -1.024   1.303  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.819  -4.067   0.366  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.911  -4.022   1.438  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.756  -5.018   1.563  1.00  0.00           C  
HETATM    9  C   UNL     1       2.275   0.245   0.221  1.00  0.00           C  
HETATM   10  C   UNL     1       4.613   1.191   1.370  1.00  0.00           C  
HETATM   11  C   UNL     1       4.669   0.216   0.370  1.00  0.00           C  
HETATM   12  C   UNL     1       3.504  -0.252  -0.199  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.929   1.837  -0.047  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.101   0.235   0.225  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.088  -0.904   0.262  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.989  -2.843  -0.679  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.838  -2.044   1.307  1.00  0.00           N  
HETATM   18  O   UNL     1       1.130  -0.219  -0.342  1.00  0.00           O  
HETATM   19  C   UNL     1       2.216   1.209   1.219  1.00  0.00           C  
HETATM   20  C   UNL     1       3.375   1.683   1.793  1.00  0.00           C  
HETATM   21 BR   UNL     1       3.577  -1.570  -1.553  1.00  0.00          Br  
HETATM   22  C   UNL     1       5.821   1.680   1.964  1.00  0.00           C  
HETATM   23  N   UNL     1       6.779   2.067   2.435  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.849   2.439  -0.827  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.632   2.595  -2.010  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.147   2.917  -0.229  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.220   2.972  -1.318  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.549   2.035   0.779  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.968   4.194   0.313  1.00  0.00           F  
HETATM   30  H   UNL     1       0.512   2.888   0.349  1.00  0.00           H  
HETATM   31  H   UNL     1       1.273   2.182  -1.097  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.068   3.339  -1.273  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.844   1.013  -1.641  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.420  -1.793  -1.574  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.004  -0.303   2.107  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.082  -4.493  -0.602  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.916  -3.169   2.116  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.891  -4.419   1.174  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.977  -6.070   1.382  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.001  -4.820   2.324  1.00  0.00           H  
HETATM   41  H   UNL     1       5.623  -0.167   0.040  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.102   1.713   0.899  1.00  0.00           H  
HETATM   43  H   UNL     1       0.076   0.595   1.239  1.00  0.00           H  
HETATM   44  H   UNL     1       1.259   1.589   1.546  1.00  0.00           H  
HETATM   45  H   UNL     1       3.328   2.436   2.565  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.360   1.977  -1.741  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.159   3.318  -0.886  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.906   3.659  -2.104  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2   14    1   13   33                                       
CONECT    3   15   16   16   34                                       
CONECT    4   17   17   16    6                                       
CONECT    5   15   15   17   35                                       
CONECT    6    4    7    8   36                                       
CONECT    7    6    8   37   38                                       
CONECT    8    7    6   39   40                                       
CONECT    9   12   12   19   18                                       
CONECT   10   22   11   11   20                                       
CONECT   11   10   10   12   41                                       
CONECT   12   11   21    9    9                                       
CONECT   13    2   24   42                                            
CONECT   14   18   15    2   43                                       
CONECT   15   14    5    5    3                                       
CONECT   16    3    3    4                                            
CONECT   17    5    4    4                                            
CONECT   18    9   14                                                 
CONECT   19   20   20    9   44                                       
CONECT   20   10   19   19   45                                       
CONECT   21   12                                                      
CONECT   22   23   23   23   10                                       
CONECT   23   22   22   22                                            
CONECT   24   13   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   28   27   29                                       
CONECT   27   26   46   47   48                                       
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
