COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.136   2.519   0.118  1.00  0.00           C  
HETATM    2  C   UNL     1       3.505   1.382  -0.366  1.00  0.00           C  
HETATM    3  C   UNL     1       4.237   0.212  -0.559  1.00  0.00           C  
HETATM    4  C   UNL     1       5.487   2.488   0.408  1.00  0.00           C  
HETATM    5  C   UNL     1       4.438  -2.067  -1.206  1.00  0.00           C  
HETATM    6  C   UNL     1       5.591   0.191  -0.266  1.00  0.00           C  
HETATM    7  C   UNL     1       6.213   1.328   0.216  1.00  0.00           C  
HETATM    8  C   UNL     1       1.302   2.162   0.086  1.00  0.00           C  
HETATM    9  C   UNL     1       0.936  -3.370   4.763  1.00  0.00           C  
HETATM   10  C   UNL     1       0.459  -2.335   3.743  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.261  -0.617  -0.564  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.440  -0.840   1.677  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.340   1.647   1.678  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.824   2.458  -0.521  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.430   1.875   0.631  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.260   2.872  -0.730  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.093   2.127  -0.160  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.884   3.257   0.613  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.782   2.056   1.559  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.925   2.688  -1.526  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.955   1.105   2.696  1.00  0.00           O  
HETATM   22  N   UNL     1       2.136   1.410  -0.660  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.625  -4.135   0.127  1.00  0.00           O  
HETATM   24  O   UNL     1       0.101  -2.994   2.527  1.00  0.00           O  
HETATM   25  O   UNL     1       1.747   2.871   0.970  1.00  0.00           O  
HETATM   26  O   UNL     1       3.624  -0.905  -1.033  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.581   2.704  -1.270  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.997   1.447   0.826  1.00  0.00           C  
HETATM   29  C   UNL     1       0.358   3.372  -2.241  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.714  -2.788   0.297  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.348  -2.212   1.509  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.897  -0.045   0.641  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.171  -1.986  -0.738  1.00  0.00           C  
HETATM   34 BR   UNL     1      -1.670  -2.764  -2.388  1.00  0.00          Br  
HETATM   35  H   UNL     1       3.572   3.428   0.265  1.00  0.00           H  
HETATM   36  H   UNL     1       5.977   3.374   0.785  1.00  0.00           H  
HETATM   37  H   UNL     1       3.826  -2.885  -1.589  1.00  0.00           H  
HETATM   38  H   UNL     1       5.237  -1.849  -1.914  1.00  0.00           H  
HETATM   39  H   UNL     1       4.869  -2.355  -0.247  1.00  0.00           H  
HETATM   40  H   UNL     1       6.161  -0.715  -0.414  1.00  0.00           H  
HETATM   41  H   UNL     1       7.268   1.309   0.444  1.00  0.00           H  
HETATM   42  H   UNL     1       1.209  -2.866   5.691  1.00  0.00           H  
HETATM   43  H   UNL     1       0.135  -4.083   4.959  1.00  0.00           H  
HETATM   44  H   UNL     1       1.804  -3.897   4.367  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.409  -1.807   4.139  1.00  0.00           H  
HETATM   46  H   UNL     1       1.260  -1.621   3.547  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.621   0.006  -1.369  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.157  -0.390   2.617  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.296   3.727  -1.405  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.817   2.043  -1.164  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.345   4.104   1.038  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.931   3.522   0.468  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.365   1.226   1.159  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.166   2.332   2.542  1.00  0.00           H  
HETATM   55  H   UNL     1       1.788   0.889  -1.400  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.428  -4.616   0.372  1.00  0.00           H  
HETATM   57  H   UNL     1       0.763   2.627  -2.926  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.183   4.130  -2.807  1.00  0.00           H  
HETATM   59  H   UNL     1       1.174   3.842  -1.692  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.243   2.842  -2.430  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.681   1.703   1.837  1.00  0.00           H  
CONECT    1    2    2    4   35                                       
CONECT    2    1    1    3   22                                       
CONECT    3    2    6    6   26                                       
CONECT    4    1    7    7   36                                       
CONECT    5   26   37   38   39                                       
CONECT    6    3    3    7   40                                       
CONECT    7    4    4    6   41                                       
CONECT    8   17   22   25   25                                       
CONECT    9   10   42   43   44                                       
CONECT   10    9   24   45   46                                       
CONECT   11   32   33   33   47                                       
CONECT   12   31   32   32   48                                       
CONECT   13   15   19   21   21                                       
CONECT   14   15   15   16   20                                       
CONECT   15   13   14   14   28                                       
CONECT   16   14   18   49   50                                       
CONECT   17    8   27   27   28                                       
CONECT   18   16   19   51   52                                       
CONECT   19   13   18   53   54                                       
CONECT   20   14   27   60                                            
CONECT   21   13   13                                                 
CONECT   22    2    8   55                                            
CONECT   23   30   56                                                 
CONECT   24   10   31                                                 
CONECT   25    8    8                                                 
CONECT   26    3    5                                                 
CONECT   27   17   17   20   29                                       
CONECT   28   15   17   32   61                                       
CONECT   29   27   57   58   59                                       
CONECT   30   23   31   31   33                                       
CONECT   31   12   24   30   30                                       
CONECT   32   11   12   12   28                                       
CONECT   33   11   11   30   34                                       
CONECT   34   33                                                      
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   20                                                      
CONECT   61   28                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
