COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -2.357   0.831  -0.986  1.00  0.00           C  
HETATM    2  C   UNK A   0      -5.791   0.475  -2.514  1.00  0.00           C  
HETATM    3  C   UNK A   0      -6.024   0.532  -0.131  1.00  0.00           C  
HETATM    4  C   UNK A   1       4.066   1.281  -0.347  1.00  0.00           C  
HETATM    5  C   UNK A   1       4.711   0.822  -1.656  1.00  0.00           C  
HETATM    6  C   UNK A   1       4.670   2.620   0.079  1.00  0.00           C  
HETATM    7  C   UNK A   1       4.060   3.054   1.413  1.00  0.00           C  
HETATM    8  C   UNK A   0       3.147  -4.484   1.907  1.00  0.00           C  
HETATM    9  C   UNK A   0       3.122  -3.860   0.510  1.00  0.00           C  
HETATM   10  C   UNK A   0       3.408  -4.939  -0.536  1.00  0.00           C  
HETATM   11  C   UNK A   0       1.765  -3.258   0.252  1.00  0.00           C  
HETATM   12  C   UNK A   0       0.553  -3.937   0.255  1.00  0.00           C  
HETATM   13  C   UNK A   0      -0.414  -0.595  -0.479  1.00  0.00           C  
HETATM   14  C   UNK A   0      -3.851   0.694  -1.128  1.00  0.00           C  
HETATM   15  C   UNK A   0      -4.421   0.602  -2.384  1.00  0.00           C  
HETATM   16  C   UNK A   0      -6.593   0.440  -1.388  1.00  0.00           C  
HETATM   17  C   UNK A   0      -4.653   0.659  -0.001  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.401   0.493  -0.605  1.00  0.00           C  
HETATM   19  C   UNK A   0       1.784   0.341  -0.417  1.00  0.00           C  
HETATM   20  C   UNK A   0       1.498  -1.925  -0.025  1.00  0.00           C  
HETATM   21  N   UNK A   0      -0.412  -3.086  -0.003  1.00  0.00           N  
HETATM   22  N   UNK A   0       0.143  -1.815  -0.191  1.00  0.00           N  
HETATM   23  N   UNK A   0      -1.776  -0.473  -0.658  1.00  0.00           N  
HETATM   24  N   UNK A   1       2.622   1.436  -0.542  1.00  0.00           N  
HETATM   25  N   UNK A   0       2.291  -0.849  -0.141  1.00  0.00           N  
HETATM   26  O   UNK A   1       4.560   1.843  -2.644  1.00  0.00           O  
HETATM   27  O   UNK A   1       6.085   2.479   0.226  1.00  0.00           O  
HETATM   28  O   UNK A   1       4.537   4.358   1.753  1.00  0.00           O  
HETATM   29 BR   UNK A   0      -3.874   0.784   1.718  1.00  0.00          Br  
HETATM   30  H   UNK A   0      -1.935   1.192  -1.924  1.00  0.00           H  
HETATM   31  H   UNK A   0      -2.132   1.541  -0.189  1.00  0.00           H  
HETATM   32  H   UNK A   0      -6.236   0.408  -3.495  1.00  0.00           H  
HETATM   33  H   UNK A   0      -6.650   0.504   0.748  1.00  0.00           H  
HETATM   34  H   UNK A   1       4.249   0.537   0.429  1.00  0.00           H  
HETATM   35  H   UNK A   1       5.771   0.631  -1.491  1.00  0.00           H  
HETATM   36  H   UNK A   1       4.226  -0.091  -2.000  1.00  0.00           H  
HETATM   37  H   UNK A   1       4.457   3.372  -0.680  1.00  0.00           H  
HETATM   38  H   UNK A   1       2.974   3.076   1.326  1.00  0.00           H  
HETATM   39  H   UNK A   1       4.348   2.348   2.191  1.00  0.00           H  
HETATM   40  H   UNK A   0       2.943  -3.715   2.652  1.00  0.00           H  
HETATM   41  H   UNK A   0       2.386  -5.262   1.970  1.00  0.00           H  
HETATM   42  H   UNK A   0       4.128  -4.919   2.093  1.00  0.00           H  
HETATM   43  H   UNK A   0       3.882  -3.082   0.446  1.00  0.00           H  
HETATM   44  H   UNK A   0       2.648  -5.718  -0.472  1.00  0.00           H  
HETATM   45  H   UNK A   0       3.391  -4.495  -1.531  1.00  0.00           H  
HETATM   46  H   UNK A   0       4.390  -5.375  -0.350  1.00  0.00           H  
HETATM   47  H   UNK A   0       0.426  -4.993   0.440  1.00  0.00           H  
HETATM   48  H   UNK A   0      -3.795   0.630  -3.264  1.00  0.00           H  
HETATM   49  H   UNK A   0      -7.663   0.341  -1.490  1.00  0.00           H  
HETATM   50  H   UNK A   0      -0.016   1.463  -0.831  1.00  0.00           H  
HETATM   51  H   UNK A   0      -2.349  -1.250  -0.566  1.00  0.00           H  
HETATM   52  H   UNK A   1       2.253   2.307  -0.759  1.00  0.00           H  
HETATM   53  H   UNK A   1       4.946   1.621  -3.502  1.00  0.00           H  
HETATM   54  H   UNK A   1       6.349   1.774   0.832  1.00  0.00           H  
HETATM   55  H   UNK A   1       4.190   4.698   2.589  1.00  0.00           H  
CONECT    1   14   23   30   31                                       
CONECT    2   15   15   16   32                                       
CONECT    3   16   16   17   33                                       
CONECT    4   24    5    6   34                                       
CONECT    5   26    4   35   36                                       
CONECT    6    4    7   27   37                                       
CONECT    7   28    6   38   39                                       
CONECT    8    9   40   41   42                                       
CONECT    9   11   10    8   43                                       
CONECT   10    9   44   45   46                                       
CONECT   11   12   20   20    9                                       
CONECT   12   21   21   11   47                                       
CONECT   13   23   22   18   18                                       
CONECT   14   15    1   17   17                                       
CONECT   15    2    2   14   48                                       
CONECT   16    2    3    3   49                                       
CONECT   17   14   14    3   29                                       
CONECT   18   13   13   19   50                                       
CONECT   19   18   25   25   24                                       
CONECT   20   22   11   11   25                                       
CONECT   21   12   12   22                                            
CONECT   22   21   13   20                                            
CONECT   23    1   13   51                                            
CONECT   24   19    4   52                                            
CONECT   25   20   19   19                                            
CONECT   26    5   53                                                 
CONECT   27    6   54                                                 
CONECT   28    7   55                                                 
CONECT   29   17                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
