COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.181  -0.916   0.280  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.061  -1.903   0.684  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.542  -1.627   0.714  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.846   2.204  -0.469  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.581  -3.144   1.059  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.222  -3.397   1.032  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.700  -4.750   1.442  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.343  -2.410   0.628  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.015   1.078   0.725  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.149   1.111   1.816  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.192   2.136   2.734  1.00  0.00           C  
HETATM   12  C   UNL     1       0.755   2.147   3.907  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.113   3.155   2.572  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.199   0.652  -3.566  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.043   0.300  -2.411  1.00  0.00           C  
HETATM   16  C   UNL     1       1.299  -0.017  -1.917  1.00  0.00           C  
HETATM   17  S   UNL     1       1.926   0.399  -0.328  1.00  0.00           S  
HETATM   18  C   UNL     1       3.428  -0.332  -0.677  1.00  0.00           C  
HETATM   19 BR   UNL     1       4.889  -0.404   0.521  1.00  0.00          Br  
HETATM   20  C   UNL     1       3.433  -0.848  -1.913  1.00  0.00           C  
HETATM   21  C   UNL     1       2.263  -0.690  -2.616  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.105   0.203  -1.586  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.436   0.388  -2.137  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.865  -0.094  -0.194  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.934   2.092   0.553  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.969   3.132   1.498  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.025   1.670  -1.643  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.742   2.273  -2.412  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.823  -1.171   0.246  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.556   0.054  -0.014  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.979  -1.886  -0.250  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.007  -2.225   1.497  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.710  -0.569   0.917  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.542   2.846  -0.259  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.268  -3.915   1.375  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.654  -5.401   0.570  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.702  -4.640   1.867  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.365  -5.186   2.187  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.282  -2.608   0.607  1.00  0.00           H  
HETATM   40  H   UNL     1       0.570   0.315   1.944  1.00  0.00           H  
HETATM   41  H   UNL     1       1.667   2.678   3.632  1.00  0.00           H  
HETATM   42  H   UNL     1       0.283   2.649   4.751  1.00  0.00           H  
HETATM   43  H   UNL     1       1.001   1.122   4.185  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.158   3.964   3.286  1.00  0.00           H  
HETATM   45  H   UNL     1       4.293  -1.355  -2.326  1.00  0.00           H  
HETATM   46  H   UNL     1       2.119  -1.058  -3.621  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.376   0.415  -3.226  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.072  -0.443  -1.833  1.00  0.00           H  
HETATM   49  H   UNL     1       0.150  -0.481  -0.097  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.686   3.932   1.377  1.00  0.00           H  
CONECT    1   29   29    2   30                                       
CONECT    2    1    3    5    5                                       
CONECT    3    2   31   32   33                                       
CONECT    4   25   27   34                                            
CONECT    5    2    2    6   35                                       
CONECT    6    8    8    5    7                                       
CONECT    7    6   36   37   38                                       
CONECT    8   29    6    6   39                                       
CONECT    9   10   10   25   24                                       
CONECT   10   11    9    9   40                                       
CONECT   11   12   13   13   10                                       
CONECT   12   11   41   42   43                                       
CONECT   13   11   11   26   44                                       
CONECT   14   15   15                                                 
CONECT   15   14   14   22   16                                       
CONECT   16   15   17   21   21                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18   21   45                                       
CONECT   21   16   16   20   46                                       
CONECT   22   23   24   15                                            
CONECT   23   27   22   47   48                                       
CONECT   24    9   22   29   49                                       
CONECT   25   26   26    9    4                                       
CONECT   26   13   25   25   50                                       
CONECT   27    4   23   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   24    1    1    8                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
