COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       7.110   1.125   0.313  1.00  0.00           C  
HETATM    2  C   UNK A   1       7.888   1.618  -0.908  1.00  0.00           C  
HETATM    3  C   UNK A   1       8.622   0.442  -1.554  1.00  0.00           C  
HETATM    4  C   UNK A   1       9.389   0.928  -2.757  1.00  0.00           C  
HETATM    5  C   UNK A   0       5.583  -0.727   0.735  1.00  0.00           C  
HETATM    6  C   UNK A   1       4.101  -2.586   1.265  1.00  0.00           C  
HETATM    7  O   UNK A   1       5.287   2.362   1.151  1.00  0.00           O  
HETATM    8  O   UNK A   1       9.353   2.095  -3.065  1.00  0.00           O  
HETATM    9  O   UNK A   1      -4.514   6.078   1.376  1.00  0.00           O  
HETATM   10  C   UNK A   1      -4.237   5.469   0.364  1.00  0.00           C  
HETATM   11  C   UNK A   1      -3.272   6.062  -0.631  1.00  0.00           C  
HETATM   12  N   UNK A   1      -4.791   4.263   0.130  1.00  0.00           N  
HETATM   13  C   UNK A   1      -5.728   3.687   1.097  1.00  0.00           C  
HETATM   14  C   UNK A   1      -6.206   2.323   0.594  1.00  0.00           C  
HETATM   15  O   UNK A   1      -5.102   1.417   0.552  1.00  0.00           O  
HETATM   16  C   UNK A   1      -5.356   0.155   0.125  1.00  0.00           C  
HETATM   17  C   UNK A   1      -6.641  -0.208  -0.247  1.00  0.00           C  
HETATM   18  C   UNK A   1      -6.899  -1.494  -0.682  1.00  0.00           C  
HETATM   19 BR   UNK A   1      -8.655  -1.981  -1.187  1.00  0.00          Br  
HETATM   20  C   UNK A   1      -5.878  -2.429  -0.750  1.00  0.00           C  
HETATM   21  C   UNK A   1      -4.595  -2.084  -0.384  1.00  0.00           C  
HETATM   22  C   UNK A   1      -4.320  -0.786   0.052  1.00  0.00           C  
HETATM   23  C   UNK A   1      -2.949  -0.411   0.445  1.00  0.00           C  
HETATM   24  O   UNK A   1      -2.713   0.720   0.825  1.00  0.00           O  
HETATM   25  N   UNK A   1      -1.957  -1.322   0.384  1.00  0.00           N  
HETATM   26  C   UNK A   1      -0.595  -0.949   0.774  1.00  0.00           C  
HETATM   27  C   UNK A   1       0.330  -2.157   0.612  1.00  0.00           C  
HETATM   28  C   UNK A   1       1.753  -1.768   1.020  1.00  0.00           C  
HETATM   29  C   UNK A   1       2.678  -2.976   0.858  1.00  0.00           C  
HETATM   30  C   UNK A   1       4.986  -3.805   1.223  1.00  0.00           C  
HETATM   31  O   UNK A   1       4.706  -4.865   1.997  1.00  0.00           O  
HETATM   32  O   UNK A   1       5.949  -3.827   0.493  1.00  0.00           O  
HETATM   33  N   UNK A   1       4.615  -1.576   0.337  1.00  0.00           N  
HETATM   34  O   UNK A   0       6.030  -0.799   1.864  1.00  0.00           O  
HETATM   35  N   UNK A   1       6.057   0.202  -0.119  1.00  0.00           N  
HETATM   36  C   UNK A   1       6.487   2.301   1.021  1.00  0.00           C  
HETATM   37  O   UNK A   1       7.265   3.281   1.507  1.00  0.00           O  
HETATM   38  O   UNK A   1      10.113   0.063  -3.485  1.00  0.00           O  
HETATM   39  H   UNK A   1       7.788   0.610   0.993  1.00  0.00           H  
HETATM   40  H   UNK A   1       7.196   2.055  -1.628  1.00  0.00           H  
HETATM   41  H   UNK A   1       8.612   2.372  -0.597  1.00  0.00           H  
HETATM   42  H   UNK A   1       9.314   0.005  -0.834  1.00  0.00           H  
HETATM   43  H   UNK A   1       7.898  -0.312  -1.865  1.00  0.00           H  
HETATM   44  H   UNK A   1       4.090  -2.179   2.276  1.00  0.00           H  
HETATM   45  H   UNK A   1      -2.932   7.033  -0.273  1.00  0.00           H  
HETATM   46  H   UNK A   1      -2.416   5.397  -0.748  1.00  0.00           H  
HETATM   47  H   UNK A   1      -3.772   6.183  -1.593  1.00  0.00           H  
HETATM   48  H   UNK A   1      -5.229   3.565   2.058  1.00  0.00           H  
HETATM   49  H   UNK A   1      -6.969   1.935   1.268  1.00  0.00           H  
HETATM   50  H   UNK A   1      -6.625   2.431  -0.406  1.00  0.00           H  
HETATM   51  H   UNK A   1      -7.442   0.515  -0.196  1.00  0.00           H  
HETATM   52  H   UNK A   1      -6.089  -3.431  -1.092  1.00  0.00           H  
HETATM   53  H   UNK A   1      -3.802  -2.815  -0.443  1.00  0.00           H  
HETATM   54  H   UNK A   1      -0.245  -0.135   0.139  1.00  0.00           H  
HETATM   55  H   UNK A   1      -0.020  -2.971   1.247  1.00  0.00           H  
HETATM   56  H   UNK A   1       0.326  -2.481  -0.429  1.00  0.00           H  
HETATM   57  H   UNK A   1       2.103  -0.954   0.385  1.00  0.00           H  
HETATM   58  H   UNK A   1       1.757  -1.444   2.060  1.00  0.00           H  
HETATM   59  H   UNK A   1       2.674  -3.299  -0.183  1.00  0.00           H  
HETATM   60  H   UNK A   1       2.328  -3.789   1.492  1.00  0.00           H  
HETATM   61  H   UNK A   1       5.303  -5.624   1.935  1.00  0.00           H  
HETATM   62  H   UNK A   1       4.260  -1.519  -0.563  1.00  0.00           H  
HETATM   63  H   UNK A   1       5.701   0.260  -1.019  1.00  0.00           H  
HETATM   64  H   UNK A   1       6.820   4.015   1.952  1.00  0.00           H  
HETATM   65  H   UNK A   1      10.588   0.422  -4.248  1.00  0.00           H  
HETATM   66  H   UNK A   1      -4.569   3.776  -0.680  1.00  0.00           H  
HETATM   67  H   UNK A   1      -6.584   4.352   1.213  1.00  0.00           H  
HETATM   68  H   UNK A   1      -2.145  -2.224   0.081  1.00  0.00           H  
HETATM   69  H   UNK A   1      -0.591  -0.626   1.815  1.00  0.00           H  
CONECT    1   35    2   36   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    4   42   43                                       
CONECT    4    3    8    8   38                                       
CONECT    5   33   35   34   34                                       
CONECT    6   30   33   29   44                                       
CONECT    7   36   36                                                 
CONECT    8    4    4                                                 
CONECT    9   10   10                                                 
CONECT   10   11   12    9    9                                       
CONECT   11   10   45   46   47                                       
CONECT   12   10   13   66                                            
CONECT   13   12   14   48   67                                       
CONECT   14   15   13   49   50                                       
CONECT   15   16   14                                                 
CONECT   16   22   15   17   17                                       
CONECT   17   16   16   18   51                                       
CONECT   18   20   20   17   19                                       
CONECT   19   18                                                      
CONECT   20   21   18   18   52                                       
CONECT   21   22   22   20   53                                       
CONECT   22   23   21   21   16                                       
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   68                                            
CONECT   26   25   27   54   69                                       
CONECT   27   26   28   55   56                                       
CONECT   28   29   27   57   58                                       
CONECT   29    6   28   59   60                                       
CONECT   30   32   32   31    6                                       
CONECT   31   30   61                                                 
CONECT   32   30   30                                                 
CONECT   33    6    5   62                                            
CONECT   34    5    5                                                 
CONECT   35    5    1   63                                            
CONECT   36    1    7    7   37                                       
CONECT   37   36   64                                                 
CONECT   38    4   65                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   17                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
