COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.671   2.671  -0.015  1.00  0.00           C  
HETATM    2  C   UNL     1       3.087   0.352   1.234  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.661   0.119   0.197  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.651   0.354   1.322  1.00  0.00           C  
HETATM    5  C   UNL     1       3.636   1.505   0.705  1.00  0.00           C  
HETATM    6  C   UNL     1       0.833  -1.282   0.331  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.178  -1.517  -0.795  1.00  0.00           C  
HETATM    8  C   UNL     1       1.713   0.386   1.850  1.00  0.00           C  
HETATM    9  C   UNL     1       4.897   1.474   0.139  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.951   1.236   0.461  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.331   2.155  -0.499  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.616   0.897  -0.065  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.893  -0.300  -0.103  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.626  -0.331  -0.671  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.916  -1.514  -0.707  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.465  -2.669  -0.178  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.726  -2.641   0.388  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.439  -1.460   0.432  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.380   2.664  -1.054  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.541  -1.549  -1.323  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.535  -1.261  -0.292  1.00  0.00           N  
HETATM   22  N   UNL     1       0.706   0.098   0.820  1.00  0.00           N  
HETATM   23  C   UNL     1       5.609   0.289   0.102  1.00  0.00           C  
HETATM   24  C   UNL     1       5.060  -0.864   0.632  1.00  0.00           C  
HETATM   25  C   UNL     1       3.797  -0.834   1.193  1.00  0.00           C  
HETATM   26 BR   UNL     1       7.334   0.246  -0.673  1.00  0.00          Br  
HETATM   27  H   UNL     1      -8.329   3.001  -0.819  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.595   3.394   0.796  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.671   0.280   0.575  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.464   0.813  -0.620  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.723   1.385   1.666  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.865  -0.322   2.150  1.00  0.00           H  
HETATM   33  H   UNL     1       3.080   2.430   0.733  1.00  0.00           H  
HETATM   34  H   UNL     1       0.635  -1.977   1.148  1.00  0.00           H  
HETATM   35  H   UNL     1       1.842  -1.443  -0.047  1.00  0.00           H  
HETATM   36  H   UNL     1       0.037  -0.841  -1.623  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.106  -2.548  -1.139  1.00  0.00           H  
HETATM   38  H   UNL     1       1.650  -0.363   2.639  1.00  0.00           H  
HETATM   39  H   UNL     1       1.528   1.374   2.272  1.00  0.00           H  
HETATM   40  H   UNL     1       5.325   2.375  -0.275  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.032   1.142   1.544  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.769   0.750  -0.071  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.197   0.570  -1.084  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.907  -3.593  -0.208  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.152  -3.545   0.800  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.424  -1.439   0.874  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.357  -2.536  -1.745  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.478  -0.799  -2.112  1.00  0.00           H  
HETATM   49  H   UNL     1       5.616  -1.790   0.603  1.00  0.00           H  
HETATM   50  H   UNL     1       3.368  -1.734   1.607  1.00  0.00           H  
CONECT    1   11   10   27   28                                       
CONECT    2    8   25   25    5                                       
CONECT    3   21    4   29   30                                       
CONECT    4   22    3   31   32                                       
CONECT    5    2    9    9   33                                       
CONECT    6    7   22   34   35                                       
CONECT    7    6   21   36   37                                       
CONECT    8   22    2   38   39                                       
CONECT    9    5    5   23   40                                       
CONECT   10   12    1   41   42                                       
CONECT   11   19   19   12    1                                       
CONECT   12   13   11   10                                            
CONECT   13   18   18   14   12                                       
CONECT   14   15   15   13   43                                       
CONECT   15   16   20   14   14                                       
CONECT   16   17   17   15   44                                       
CONECT   17   16   16   18   45                                       
CONECT   18   17   13   13   46                                       
CONECT   19   11   11                                                 
CONECT   20   21   15   47   48                                       
CONECT   21    7   20    3                                            
CONECT   22    6    8    4                                            
CONECT   23   24   24    9   26                                       
CONECT   24   25   23   23   49                                       
CONECT   25    2    2   24   50                                       
CONECT   26   23                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
