COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.171  -0.851   0.172  1.00  0.00           C  
HETATM    2  C   UNL     1       0.463  -0.339   0.026  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.954   1.893   0.435  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.711   0.923   0.350  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.400   0.665  -0.073  1.00  0.00           N  
HETATM    6  C   UNL     1       2.276   1.309  -0.236  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.324   2.666   1.631  1.00  0.00           C  
HETATM    8  N   UNL     1       1.814  -0.068  -0.049  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.629  -3.197   0.461  1.00  0.00           N  
HETATM   10  C   UNL     1      -9.404   2.536  -0.651  1.00  0.00           C  
HETATM   11 BR   UNL     1       3.452   0.492  -2.986  1.00  0.00          Br  
HETATM   12  C   UNL     1       4.441   0.989  -1.452  1.00  0.00           C  
HETATM   13  C   UNL     1       5.823   1.016  -1.499  1.00  0.00           C  
HETATM   14  C   UNL     1       6.546   1.380  -0.379  1.00  0.00           C  
HETATM   15  C   UNL     1       8.052   1.409  -0.430  1.00  0.00           C  
HETATM   16  C   UNL     1       5.887   1.717   0.790  1.00  0.00           C  
HETATM   17 BR   UNL     1       6.876   2.214   2.323  1.00  0.00          Br  
HETATM   18  C   UNL     1       4.504   1.690   0.837  1.00  0.00           C  
HETATM   19  C   UNL     1       3.782   1.332  -0.285  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.702   0.454  -0.006  1.00  0.00           C  
HETATM   21  N   UNL     1       0.068  -1.591   0.202  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.222  -1.892   0.279  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.636  -4.249   0.688  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.283  -5.407   1.450  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.245  -6.506   1.686  1.00  0.00           C  
HETATM   26  C   UNL     1       0.278  -7.011   0.340  1.00  0.00           C  
HETATM   27  C   UNL     1       0.926  -5.853  -0.422  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.112  -4.754  -0.659  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.614  -1.132   0.252  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.008  -2.282   0.303  1.00  0.00           O  
HETATM   31  N   UNL     1      -4.498  -0.116   0.268  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.934  -0.395   0.347  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.210   0.631   0.433  1.00  0.00           C  
HETATM   34  O   UNL     1      -9.239   2.121  -1.782  1.00  0.00           O  
HETATM   35  O   UNL     1     -10.050   3.674  -0.379  1.00  0.00           O  
HETATM   36  C   UNL     1     -10.075   3.885   1.063  1.00  0.00           C  
HETATM   37  H   UNL     1      -6.409   1.521   1.210  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.498   1.472  -0.567  1.00  0.00           H  
HETATM   39  H   UNL     1       1.876   1.703  -1.171  1.00  0.00           H  
HETATM   40  H   UNL     1       1.930   1.924   0.595  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.977   2.081   2.278  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.433   2.984   2.173  1.00  0.00           H  
HETATM   43  H   UNL     1       2.458  -0.790   0.022  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.573  -3.418   0.439  1.00  0.00           H  
HETATM   45  H   UNL     1       6.338   0.752  -2.412  1.00  0.00           H  
HETATM   46  H   UNL     1       8.385   2.399  -0.742  1.00  0.00           H  
HETATM   47  H   UNL     1       8.453   1.186   0.558  1.00  0.00           H  
HETATM   48  H   UNL     1       8.406   0.665  -1.143  1.00  0.00           H  
HETATM   49  H   UNL     1       3.990   1.954   1.749  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.395   1.278  -0.089  1.00  0.00           H  
HETATM   51  H   UNL     1       0.192  -3.848   1.272  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.656  -5.047   2.409  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.111  -5.808   0.866  1.00  0.00           H  
HETATM   54  H   UNL     1       0.582  -6.104   2.270  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.707  -7.331   2.229  1.00  0.00           H  
HETATM   56  H   UNL     1       1.017  -7.794   0.509  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.550  -7.413  -0.244  1.00  0.00           H  
HETATM   58  H   UNL     1       1.754  -5.452   0.162  1.00  0.00           H  
HETATM   59  H   UNL     1       1.299  -6.213  -1.381  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.940  -5.156  -1.243  1.00  0.00           H  
HETATM   61  H   UNL     1       0.349  -3.930  -1.202  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.184   0.801   0.227  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.147  -0.944   1.264  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.236  -0.993  -0.513  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.424   0.082   1.350  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.512   0.034  -0.427  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.102   3.906   1.428  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.557   4.808   1.323  1.00  0.00           H  
CONECT    1   22   29   20   20                                       
CONECT    2   21    8    5    5                                       
CONECT    3   33   10    7                                            
CONECT    4   32   33   37   38                                       
CONECT    5    2    2   20                                            
CONECT    6   19    8   39   40                                       
CONECT    7    3   36   41   42                                       
CONECT    8    6    2   43                                            
CONECT    9   23   22   44                                            
CONECT   10   34   34    3   35                                       
CONECT   11   12                                                      
CONECT   12   11   13   13   19                                       
CONECT   13   12   12   14   45                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   46   47   48                                       
CONECT   16   14   14   18   17                                       
CONECT   17   16                                                      
CONECT   18   19   19   16   49                                       
CONECT   19   12    6   18   18                                       
CONECT   20    1    1    5   50                                       
CONECT   21   22   22    2                                            
CONECT   22    9   21   21    1                                       
CONECT   23   28    9   24   51                                       
CONECT   24   23   25   52   53                                       
CONECT   25   26   24   54   55                                       
CONECT   26   27   25   56   57                                       
CONECT   27   28   26   58   59                                       
CONECT   28   27   23   60   61                                       
CONECT   29   30   30    1   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   62                                            
CONECT   32   31    4   63   64                                       
CONECT   33    4    3   65   66                                       
CONECT   34   10   10                                                 
CONECT   35   10   36                                                 
CONECT   36    7   35   67   68                                       
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
