COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNK A   1       8.718  -3.403   0.613  1.00  0.00          Br  
HETATM    2  C   UNK A   1       7.828  -1.782   0.218  1.00  0.00           C  
HETATM    3  C   UNK A   1       7.045  -1.682  -0.918  1.00  0.00           C  
HETATM    4  C   UNK A   1       6.395  -0.497  -1.207  1.00  0.00           C  
HETATM    5  C   UNK A   1       7.955  -0.698   1.068  1.00  0.00           C  
HETATM    6  C   UNK A   1       7.304   0.486   0.779  1.00  0.00           C  
HETATM    7  C   UNK A   1       6.527   0.588  -0.360  1.00  0.00           C  
HETATM    8  C   UNK A   1       5.818   1.880  -0.675  1.00  0.00           C  
HETATM    9  S   UNK A   1       4.173   1.869   0.089  1.00  0.00           S  
HETATM   10  C   UNK A   1       3.488   3.478  -0.395  1.00  0.00           C  
HETATM   11  C   UNK A   1       2.078   3.626   0.181  1.00  0.00           C  
HETATM   12  C   UNK A   1       1.509   4.962  -0.220  1.00  0.00           C  
HETATM   13  O   UNK A   1       0.494   5.015  -0.873  1.00  0.00           O  
HETATM   14  O   UNK A   1       2.130   6.094   0.147  1.00  0.00           O  
HETATM   15  N   UNK A   1       1.224   2.555  -0.337  1.00  0.00           N  
HETATM   16  C   UNK A   0       0.141   2.159   0.361  1.00  0.00           C  
HETATM   17  O   UNK A   0      -0.126   2.690   1.421  1.00  0.00           O  
HETATM   18  N   UNK A   0      -0.645   1.174  -0.116  1.00  0.00           N  
HETATM   19  C   UNK A   0      -0.323   0.534  -1.394  1.00  0.00           C  
HETATM   20  C   UNK A   0       0.881  -0.392  -1.212  1.00  0.00           C  
HETATM   21  C   UNK A   0       1.123  -1.174  -2.504  1.00  0.00           C  
HETATM   22  C   UNK A   0      -1.728   0.777   0.582  1.00  0.00           C  
HETATM   23  O   UNK A   0      -2.038   1.358   1.604  1.00  0.00           O  
HETATM   24  C   UNK A   0      -2.538  -0.363   0.105  1.00  0.00           C  
HETATM   25  C   UNK A   0      -3.927  -0.322   0.205  1.00  0.00           C  
HETATM   26  C   UNK A   0      -1.913  -1.481  -0.452  1.00  0.00           C  
HETATM   27  C   UNK A   0      -2.668  -2.548  -0.898  1.00  0.00           C  
HETATM   28  C   UNK A   0      -4.044  -2.518  -0.798  1.00  0.00           C  
HETATM   29  C   UNK A   0      -4.684  -1.403  -0.248  1.00  0.00           C  
HETATM   30  C   UNK A   0      -6.112  -1.371  -0.150  1.00  0.00           C  
HETATM   31  C   UNK A   0      -7.283  -1.344  -0.070  1.00  0.00           C  
HETATM   32  C   UNK A   0      -8.712  -1.311   0.028  1.00  0.00           C  
HETATM   33  C   UNK A   0      -9.471  -2.394  -0.425  1.00  0.00           C  
HETATM   34  C   UNK A   0     -10.846  -2.357  -0.328  1.00  0.00           C  
HETATM   35  C   UNK A   0     -11.477  -1.249   0.217  1.00  0.00           C  
HETATM   36  F   UNK A   0     -12.824  -1.220   0.309  1.00  0.00           F  
HETATM   37  C   UNK A   0     -10.731  -0.172   0.669  1.00  0.00           C  
HETATM   38  C   UNK A   0      -9.353  -0.198   0.583  1.00  0.00           C  
HETATM   39  F   UNK A   0      -8.626   0.850   1.029  1.00  0.00           F  
HETATM   40  H   UNK A   1       6.943  -2.529  -1.580  1.00  0.00           H  
HETATM   41  H   UNK A   1       8.561  -0.778   1.958  1.00  0.00           H  
HETATM   42  H   UNK A   1       5.784  -0.419  -2.094  1.00  0.00           H  
HETATM   43  H   UNK A   1       7.403   1.332   1.442  1.00  0.00           H  
HETATM   44  H   UNK A   1       6.396   2.717  -0.282  1.00  0.00           H  
HETATM   45  H   UNK A   1       5.716   1.984  -1.756  1.00  0.00           H  
HETATM   46  H   UNK A   1       4.124   4.274  -0.009  1.00  0.00           H  
HETATM   47  H   UNK A   1       3.444   3.542  -1.482  1.00  0.00           H  
HETATM   48  H   UNK A   1       2.122   3.561   1.269  1.00  0.00           H  
HETATM   49  H   UNK A   1       1.437   2.131  -1.184  1.00  0.00           H  
HETATM   50  H   UNK A   1       1.727   6.927  -0.134  1.00  0.00           H  
HETATM   51  H   UNK A   0      -1.180  -0.048  -1.735  1.00  0.00           H  
HETATM   52  H   UNK A   0      -0.086   1.298  -2.134  1.00  0.00           H  
HETATM   53  H   UNK A   0       1.764   0.203  -0.976  1.00  0.00           H  
HETATM   54  H   UNK A   0       0.684  -1.089  -0.397  1.00  0.00           H  
HETATM   55  H   UNK A   0       1.982  -1.833  -2.375  1.00  0.00           H  
HETATM   56  H   UNK A   0       0.241  -1.769  -2.740  1.00  0.00           H  
HETATM   57  H   UNK A   0       1.321  -0.477  -3.319  1.00  0.00           H  
HETATM   58  H   UNK A   0      -4.416   0.541   0.631  1.00  0.00           H  
HETATM   59  H   UNK A   0      -0.837  -1.512  -0.534  1.00  0.00           H  
HETATM   60  H   UNK A   0      -2.179  -3.410  -1.328  1.00  0.00           H  
HETATM   61  H   UNK A   0      -4.628  -3.356  -1.150  1.00  0.00           H  
HETATM   62  H   UNK A   0      -8.982  -3.257  -0.850  1.00  0.00           H  
HETATM   63  H   UNK A   0     -11.433  -3.193  -0.678  1.00  0.00           H  
HETATM   64  H   UNK A   0     -11.229   0.688   1.092  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    5    5                                       
CONECT    3    2    4    4   40                                       
CONECT    4    3    3    7   42                                       
CONECT    5    2    2    6   41                                       
CONECT    6    5    7    7   43                                       
CONECT    7    4    6    6    8                                       
CONECT    8    7    9   44   45                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   46   47                                       
CONECT   11   10   12   15   48                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   50                                                 
CONECT   15   11   16   49                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   22                                            
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   53   54                                       
CONECT   21   20   55   56   57                                       
CONECT   22   18   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   26   26                                       
CONECT   25   24   29   29   58                                       
CONECT   26   24   24   27   59                                       
CONECT   27   26   28   28   60                                       
CONECT   28   27   27   29   61                                       
CONECT   29   25   25   28   30                                       
CONECT   30   29   31   31   31                                       
CONECT   31   30   30   30   32                                       
CONECT   32   31   33   38   38                                       
CONECT   33   32   34   34   62                                       
CONECT   34   33   33   35   63                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35                                                      
CONECT   37   35   35   38   64                                       
CONECT   38   32   32   37   39                                       
CONECT   39   38                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   15                                                      
CONECT   50   14                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   37                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
