COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.523  -2.838  -0.142  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.239  -1.872  -0.824  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.192  -1.260  -1.555  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.569  -1.759  -1.529  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.331  -1.072  -0.425  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.008   0.106  -0.683  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.707   0.738   0.327  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.731   0.188   1.602  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.432   0.827   2.627  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.050  -0.996   1.858  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.357  -1.625   0.843  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.850  -0.096  -2.376  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.023   1.161  -1.562  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.134   1.890  -1.454  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.869   2.879  -0.669  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.642   2.790  -0.291  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.960   3.726   0.607  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.111   1.743  -0.822  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.974  -1.409  -0.843  1.00  0.00           N  
HETATM   20  C   UNL     1       0.060  -2.071  -0.044  1.00  0.00           C  
HETATM   21  C   UNL     1       1.377  -1.364  -0.241  1.00  0.00           C  
HETATM   22  O   UNL     1       1.445  -0.403  -0.978  1.00  0.00           O  
HETATM   23  N   UNL     1       2.479  -1.801   0.400  1.00  0.00           N  
HETATM   24  C   UNL     1       2.540  -2.955   1.315  1.00  0.00           C  
HETATM   25  C   UNL     1       4.020  -3.411   1.280  1.00  0.00           C  
HETATM   26  C   UNL     1       4.762  -2.052   1.184  1.00  0.00           C  
HETATM   27  C   UNL     1       3.820  -1.208   0.299  1.00  0.00           C  
HETATM   28  C   UNL     1       3.792   0.214   0.796  1.00  0.00           C  
HETATM   29  C   UNL     1       4.732   1.123   0.347  1.00  0.00           C  
HETATM   30 BR   UNL     1       6.056   0.581  -0.890  1.00  0.00          Br  
HETATM   31  C   UNL     1       2.821   0.612   1.696  1.00  0.00           C  
HETATM   32  C   UNL     1       2.794   1.917   2.152  1.00  0.00           C  
HETATM   33  C   UNL     1       3.737   2.824   1.708  1.00  0.00           C  
HETATM   34  C   UNL     1       4.705   2.429   0.804  1.00  0.00           C  
HETATM   35  H   UNL     1      -5.049  -1.551  -2.485  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.562  -2.834  -1.352  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.989   0.533  -1.674  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.235   1.658   0.125  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.445   0.445   3.518  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.907   1.654   2.447  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.066  -1.425   2.849  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.828  -2.546   1.041  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.814  -0.175  -2.706  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.507  -0.059  -3.245  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.081   3.394   1.638  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.899   3.759   0.359  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.391   4.720   0.492  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.747  -0.638  -1.387  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.217  -2.035   1.010  1.00  0.00           H  
HETATM   50  H   UNL     1       0.155  -3.110  -0.359  1.00  0.00           H  
HETATM   51  H   UNL     1       2.259  -2.655   2.324  1.00  0.00           H  
HETATM   52  H   UNL     1       1.887  -3.754   0.962  1.00  0.00           H  
HETATM   53  H   UNL     1       4.288  -3.938   2.196  1.00  0.00           H  
HETATM   54  H   UNL     1       4.219  -4.028   0.404  1.00  0.00           H  
HETATM   55  H   UNL     1       4.874  -1.603   2.171  1.00  0.00           H  
HETATM   56  H   UNL     1       5.732  -2.175   0.703  1.00  0.00           H  
HETATM   57  H   UNL     1       4.160  -1.234  -0.737  1.00  0.00           H  
HETATM   58  H   UNL     1       2.083  -0.097   2.043  1.00  0.00           H  
HETATM   59  H   UNL     1       2.035   2.227   2.856  1.00  0.00           H  
HETATM   60  H   UNL     1       3.715   3.844   2.064  1.00  0.00           H  
HETATM   61  H   UNL     1       5.439   3.139   0.454  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   19                                       
CONECT    3   12    4    2                                            
CONECT    4    5    3   35   36                                       
CONECT    5   11   11    6    4                                       
CONECT    6    7    7    5   37                                       
CONECT    7    8    6    6   38                                       
CONECT    8    9   10   10    7                                       
CONECT    9    8   39   40                                            
CONECT   10    8    8   11   41                                       
CONECT   11   10    5    5   42                                       
CONECT   12   13    3   43   44                                       
CONECT   13   14   12   18   18                                       
CONECT   14   15   15   13                                            
CONECT   15   14   14   16                                            
CONECT   16   15   18   17                                            
CONECT   17   16   45   46   47                                       
CONECT   18   13   13   16                                            
CONECT   19    2   20   48                                            
CONECT   20   19   21   49   50                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   27                                            
CONECT   24   25   23   51   52                                       
CONECT   25   26   24   53   54                                       
CONECT   26   25   27   55   56                                       
CONECT   27   26   23   28   57                                       
CONECT   28   27   29   29   31                                       
CONECT   29   30   28   28   34                                       
CONECT   30   29                                                      
CONECT   31   28   32   32   58                                       
CONECT   32   31   31   33   59                                       
CONECT   33   34   34   32   60                                       
CONECT   34   29   33   33   61                                       
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
