COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.767   0.849   0.289  1.00  0.00           C  
HETATM    2  C   UNL     1       1.609   1.370   0.438  1.00  0.00           C  
HETATM    3  C   UNL     1       8.117   0.443  -2.095  1.00  0.00           C  
HETATM    4  O   UNL     1       7.634   0.037  -0.813  1.00  0.00           O  
HETATM    5  C   UNL     1       6.454   0.571  -0.401  1.00  0.00           C  
HETATM    6  C   UNL     1       5.927   0.221   0.834  1.00  0.00           C  
HETATM    7  C   UNL     1       4.728   0.764   1.251  1.00  0.00           C  
HETATM    8  C   UNL     1       5.778   1.471  -1.211  1.00  0.00           C  
HETATM    9  C   UNL     1       4.579   2.012  -0.789  1.00  0.00           C  
HETATM   10  C   UNL     1       4.053   1.657   0.439  1.00  0.00           C  
HETATM   11  C   UNL     1       2.744   2.248   0.896  1.00  0.00           C  
HETATM   12  O   UNL     1       1.839   0.363  -0.197  1.00  0.00           O  
HETATM   13  N   UNL     1       0.337   1.703   0.734  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.981  -0.277   1.302  1.00  0.00           C  
HETATM   15  C   UNL     1       0.231  -1.172   1.323  1.00  0.00           C  
HETATM   16  C   UNL     1       0.402  -2.129   0.339  1.00  0.00           C  
HETATM   17 BR   UNL     1      -0.886  -2.315  -1.032  1.00  0.00          Br  
HETATM   18  C   UNL     1       1.515  -2.950   0.359  1.00  0.00           C  
HETATM   19  C   UNL     1       2.457  -2.813   1.362  1.00  0.00           C  
HETATM   20  C   UNL     1       2.286  -1.856   2.345  1.00  0.00           C  
HETATM   21  C   UNL     1       1.176  -1.032   2.322  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.025   1.671   0.178  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.002   2.854   0.445  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.176   1.092  -0.217  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.399   1.891  -0.325  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.444   2.573  -1.693  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.601   0.994  -0.171  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.605  -0.260  -0.753  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.707  -1.083  -0.612  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.805  -0.651   0.109  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.799   0.602   0.691  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.695   1.423   0.555  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.526   0.421  -0.684  1.00  0.00           H  
HETATM   34  H   UNL     1       9.064  -0.055  -2.302  1.00  0.00           H  
HETATM   35  H   UNL     1       7.389   0.171  -2.860  1.00  0.00           H  
HETATM   36  H   UNL     1       8.265   1.523  -2.102  1.00  0.00           H  
HETATM   37  H   UNL     1       6.454  -0.477   1.468  1.00  0.00           H  
HETATM   38  H   UNL     1       4.317   0.492   2.212  1.00  0.00           H  
HETATM   39  H   UNL     1       6.189   1.749  -2.170  1.00  0.00           H  
HETATM   40  H   UNL     1       4.052   2.713  -1.420  1.00  0.00           H  
HETATM   41  H   UNL     1       2.627   3.245   0.470  1.00  0.00           H  
HETATM   42  H   UNL     1       2.736   2.315   1.984  1.00  0.00           H  
HETATM   43  H   UNL     1       0.152   2.509   1.242  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.135   0.150   2.293  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.858  -0.860   1.018  1.00  0.00           H  
HETATM   46  H   UNL     1       1.649  -3.697  -0.409  1.00  0.00           H  
HETATM   47  H   UNL     1       3.326  -3.453   1.377  1.00  0.00           H  
HETATM   48  H   UNL     1       3.022  -1.750   3.128  1.00  0.00           H  
HETATM   49  H   UNL     1       1.046  -0.281   3.088  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.195   0.146  -0.430  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.409   2.648   0.459  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.354   3.168  -1.773  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.575   3.222  -1.804  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.434   1.816  -2.477  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.748  -0.598  -1.316  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.711  -2.063  -1.067  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.666  -1.294   0.218  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.657   0.940   1.255  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.690   2.401   1.013  1.00  0.00           H  
CONECT    1   22   14   13   33                                       
CONECT    2   12   12   13   11                                       
CONECT    3    4   34   35   36                                       
CONECT    4    5    3                                                 
CONECT    5    8    4    6    6                                       
CONECT    6    5    5    7   37                                       
CONECT    7   10   10    6   38                                       
CONECT    8    9    9    5   39                                       
CONECT    9    8    8   10   40                                       
CONECT   10    9   11    7    7                                       
CONECT   11    2   10   41   42                                       
CONECT   12    2    2                                                 
CONECT   13    1    2   43                                            
CONECT   14    1   15   44   45                                       
CONECT   15   14   16   16   21                                       
CONECT   16   17   15   15   18                                       
CONECT   17   16                                                      
CONECT   18   16   19   19   46                                       
CONECT   19   18   18   20   47                                       
CONECT   20   21   21   19   48                                       
CONECT   21   15   20   20   49                                       
CONECT   22   23   23   24    1                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   50                                            
CONECT   25   27   26   24   51                                       
CONECT   26   25   52   53   54                                       
CONECT   27   28   25   32   32                                       
CONECT   28   29   29   27   55                                       
CONECT   29   28   28   30   56                                       
CONECT   30   29   31   31   57                                       
CONECT   31   30   30   32   58                                       
CONECT   32   27   27   31   59                                       
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
