COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.474   1.078  -0.005  1.00  0.00           C  
HETATM    2  C   UNL     1       4.101  -0.079   0.902  1.00  0.00           C  
HETATM    3  C   UNL     1       3.584   1.570  -1.268  1.00  0.00           C  
HETATM    4  C   UNL     1       2.691   0.570  -0.932  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.127  -3.730  -0.092  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.320  -5.021  -0.246  1.00  0.00           C  
HETATM    7  C   UNL     1       0.765  -3.819   0.045  1.00  0.00           C  
HETATM    8  C   UNL     1       0.019  -2.492   0.208  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.289  -2.547  -0.585  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.057  -1.266  -0.380  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.364  -0.463  -1.463  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.068   0.711  -1.276  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.171   0.273   1.077  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.463  -0.899   0.889  1.00  0.00           C  
HETATM   15  C   UNL     1       0.889  -1.349  -0.319  1.00  0.00           C  
HETATM   16  C   UNL     1       2.944  -0.252   0.156  1.00  0.00           C  
HETATM   17  C   UNL     1       5.000   0.919   0.563  1.00  0.00           C  
HETATM   18  C   UNL     1       4.740   1.746  -0.527  1.00  0.00           C  
HETATM   19  C   UNL     1       6.851   2.090   0.119  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.079  -4.918   0.532  1.00  0.00           N  
HETATM   21  O   UNL     1       2.059  -1.227   0.492  1.00  0.00           O  
HETATM   22  O   UNL     1       5.765   2.642  -0.648  1.00  0.00           O  
HETATM   23  O   UNL     1       6.188   1.292   1.121  1.00  0.00           O  
HETATM   24 BR   UNL     1      -4.437   2.685   0.252  1.00  0.00          Br  
HETATM   25  H   UNL     1       4.298  -0.718   1.749  1.00  0.00           H  
HETATM   26  H   UNL     1       3.384   2.208  -2.116  1.00  0.00           H  
HETATM   27  H   UNL     1       1.794   0.428  -1.517  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.041  -3.799  -0.682  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.382  -3.582   0.957  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.909  -5.863   0.118  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.078  -5.174  -1.297  1.00  0.00           H  
HETATM   32  H   UNL     1       0.997  -3.978  -1.008  1.00  0.00           H  
HETATM   33  H   UNL     1       1.690  -3.789   0.621  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.201  -2.325   1.263  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.068  -2.674  -1.645  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.053  -0.754  -2.456  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.301   1.342  -2.121  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.488   0.559   2.069  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.222  -1.526   1.735  1.00  0.00           H  
HETATM   40  H   UNL     1       1.181  -1.560  -1.348  1.00  0.00           H  
HETATM   41  H   UNL     1       0.324  -0.417  -0.285  1.00  0.00           H  
HETATM   42  H   UNL     1       7.487   1.465  -0.508  1.00  0.00           H  
HETATM   43  H   UNL     1       7.435   2.883   0.586  1.00  0.00           H  
HETATM   44  H   UNL     1       0.426  -5.792   0.524  1.00  0.00           H  
CONECT    1   13   13   12   24                                       
CONECT    2   17   17   16   25                                       
CONECT    3   18   18    4   26                                       
CONECT    4    3   16   16   27                                       
CONECT    5    9    6   28   29                                       
CONECT    6   20    5   30   31                                       
CONECT    7    8   20   32   33                                       
CONECT    8   15    7    9   34                                       
CONECT    9    8   10    5   35                                       
CONECT   10    9   14   14   11                                       
CONECT   11   10   12   12   36                                       
CONECT   12   11   11    1   37                                       
CONECT   13   14    1    1   38                                       
CONECT   14   10   10   13   39                                       
CONECT   15   21    8   40   41                                       
CONECT   16    4    4    2   21                                       
CONECT   17   18   23    2    2                                       
CONECT   18   22    3    3   17                                       
CONECT   19   22   23   42   43                                       
CONECT   20    7    6   44                                            
CONECT   21   16   15                                                 
CONECT   22   19   18                                                 
CONECT   23   19   17                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
