COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.539  -1.720   0.236  1.00  0.00           C  
HETATM    2  C   UNL     1       7.095  -2.809  -0.492  1.00  0.00           C  
HETATM    3  C   UNL     1       6.660  -1.023   1.043  1.00  0.00           C  
HETATM    4  C   UNL     1       5.770  -3.195  -0.417  1.00  0.00           C  
HETATM    5  C   UNL     1       5.336  -1.413   1.122  1.00  0.00           C  
HETATM    6  C   UNL     1       0.944   4.997  -1.016  1.00  0.00           C  
HETATM    7  C   UNL     1       0.093  -1.756  -0.350  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.091   1.130   0.222  1.00  0.00           C  
HETATM    9  C   UNL     1       4.889  -2.494   0.385  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.892  -0.232   0.104  1.00  0.00           C  
HETATM   11  C   UNL     1       2.126   5.595  -0.522  1.00  0.00           C  
HETATM   12  C   UNL     1       1.189  -2.609  -0.507  1.00  0.00           C  
HETATM   13  C   UNL     1       0.328   4.522   0.093  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.031  -2.523  -0.310  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.586  -0.704  -0.043  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.816   1.467   0.057  1.00  0.00           C  
HETATM   17  C   UNL     1       3.192   6.289  -1.329  1.00  0.00           C  
HETATM   18  C   UNL     1       3.446  -2.920   0.471  1.00  0.00           C  
HETATM   19  C   UNL     1       2.632  -2.183  -0.593  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.987   3.789   0.150  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.045   1.943   0.192  1.00  0.00           N  
HETATM   22  N   UNL     1       2.110   5.427   0.769  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.583   0.168  -0.064  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.645  -3.819  -0.438  1.00  0.00           N  
HETATM   25  N   UNL     1       0.750  -3.840  -0.564  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.338  -2.063  -0.164  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.749   2.349   0.030  1.00  0.00           N  
HETATM   28  O   UNL     1       1.117   4.838   1.129  1.00  0.00           O  
HETATM   29 BR   UNL     1      -5.355  -1.429   0.141  1.00  0.00          Br  
HETATM   30  H   UNL     1       8.574  -1.418   0.177  1.00  0.00           H  
HETATM   31  H   UNL     1       7.783  -3.357  -1.118  1.00  0.00           H  
HETATM   32  H   UNL     1       7.007  -0.172   1.611  1.00  0.00           H  
HETATM   33  H   UNL     1       5.423  -4.045  -0.986  1.00  0.00           H  
HETATM   34  H   UNL     1       4.649  -0.869   1.753  1.00  0.00           H  
HETATM   35  H   UNL     1       0.608   4.936  -2.041  1.00  0.00           H  
HETATM   36  H   UNL     1       0.131  -0.679  -0.270  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.089   1.529   0.332  1.00  0.00           H  
HETATM   38  H   UNL     1       2.952   7.349  -1.413  1.00  0.00           H  
HETATM   39  H   UNL     1       4.156   6.174  -0.833  1.00  0.00           H  
HETATM   40  H   UNL     1       3.241   5.847  -2.324  1.00  0.00           H  
HETATM   41  H   UNL     1       3.374  -3.995   0.304  1.00  0.00           H  
HETATM   42  H   UNL     1       3.055  -2.679   1.460  1.00  0.00           H  
HETATM   43  H   UNL     1       3.023  -2.424  -1.582  1.00  0.00           H  
HETATM   44  H   UNL     1       2.704  -1.108  -0.426  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.478   3.999   1.101  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.625   4.122  -0.669  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.231  -4.592  -0.445  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.075  -2.694  -0.147  1.00  0.00           H  
HETATM   49  H   UNL     1       0.155   2.013  -0.068  1.00  0.00           H  
CONECT    1    3    2    2   30                                       
CONECT    2    1    1    4   31                                       
CONECT    3    5    5    1   32                                       
CONECT    4    9    9    2   33                                       
CONECT    5    3    3    9   34                                       
CONECT    6   13   13   11   35                                       
CONECT    7   14   14   12   36                                       
CONECT    8   10   10   21   37                                       
CONECT    9    5   18    4    4                                       
CONECT   10   29    8    8   15                                       
CONECT   11    6   22   22   17                                       
CONECT   12   25   25    7   19                                       
CONECT   13   20   28    6    6                                       
CONECT   14   24   26    7    7                                       
CONECT   15   10   26   23   23                                       
CONECT   16   21   21   23   27                                       
CONECT   17   11   38   39   40                                       
CONECT   18   19    9   41   42                                       
CONECT   19   12   18   43   44                                       
CONECT   20   27   13   45   46                                       
CONECT   21    8   16   16                                            
CONECT   22   28   11   11                                            
CONECT   23   15   15   16                                            
CONECT   24   14   25   47                                            
CONECT   25   24   12   12                                            
CONECT   26   15   14   48                                            
CONECT   27   16   20   49                                            
CONECT   28   13   22                                                 
CONECT   29   10                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
