COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.099   2.143  -0.026  1.00  0.00           C  
HETATM    2  C   UNL     1       1.437   0.919  -0.015  1.00  0.00           C  
HETATM    3  N   UNL     1       0.091   1.190  -0.007  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.056   2.583  -0.013  1.00  0.00           N  
HETATM    5  C   UNL     1       1.135   3.139  -0.019  1.00  0.00           C  
HETATM    6  C   UNL     1       1.890  -0.411  -0.012  1.00  0.00           C  
HETATM    7  C   UNL     1       0.963  -1.439   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.414  -1.127   0.008  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.821   0.168   0.005  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.175   0.460   0.013  1.00  0.00           N  
HETATM   11  C   UNL     1       1.411  -2.852   0.004  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.159  -0.626   0.026  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.549  -0.045   0.033  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.193   0.241   1.226  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.412   0.756   1.193  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.012   0.997   0.045  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.430   0.739  -1.109  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.212   0.223  -1.154  1.00  0.00           C  
HETATM   19  C   UNL     1       2.116  -3.360   1.094  1.00  0.00           C  
HETATM   20  C   UNL     1       2.530  -4.676   1.091  1.00  0.00           C  
HETATM   21  C   UNL     1       2.247  -5.491   0.010  1.00  0.00           C  
HETATM   22  C   UNL     1       1.548  -4.993  -1.074  1.00  0.00           C  
HETATM   23  C   UNL     1       1.123  -3.680  -1.081  1.00  0.00           C  
HETATM   24 BR   UNL     1       3.972   2.400  -0.040  1.00  0.00          Br  
HETATM   25  H   UNL     1       1.331   4.201  -0.024  1.00  0.00           H  
HETATM   26  H   UNL     1       2.947  -0.629  -0.019  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.146  -1.921   0.018  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.473   1.383   0.010  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.028  -1.245  -0.862  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.015  -1.236   0.918  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.707   0.045   2.171  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.007   1.417   0.050  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.740   0.018  -2.104  1.00  0.00           H  
HETATM   34  H   UNL     1       2.339  -2.724   1.938  1.00  0.00           H  
HETATM   35  H   UNL     1       3.077  -5.070   1.935  1.00  0.00           H  
HETATM   36  H   UNL     1       2.574  -6.521   0.013  1.00  0.00           H  
HETATM   37  H   UNL     1       1.330  -5.634  -1.916  1.00  0.00           H  
HETATM   38  H   UNL     1       0.573  -3.293  -1.926  1.00  0.00           H  
CONECT    1    5    2    2   24                                       
CONECT    2    3    1    1    6                                       
CONECT    3    4    9    2                                            
CONECT    4    5    5    3                                            
CONECT    5    4    4    1   25                                       
CONECT    6    2    7    7   26                                       
CONECT    7    8    6    6   11                                       
CONECT    8    9    9    7   27                                       
CONECT    9   10    3    8    8                                       
CONECT   10   12    9   28                                            
CONECT   11    7   23   23   19                                       
CONECT   12   13   10   29   30                                       
CONECT   13   14   14   18   12                                       
CONECT   14   15   13   13   31                                       
CONECT   15   16   16   14                                            
CONECT   16   15   15   17   32                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   13   33                                       
CONECT   19   11   20   20   34                                       
CONECT   20   19   19   21   35                                       
CONECT   21   22   22   20   36                                       
CONECT   22   23   21   21   37                                       
CONECT   23   11   11   22   38                                       
CONECT   24    1                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   16                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
