COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.302   0.078  -0.317  1.00  0.00           C  
HETATM    2  C   UNL     1       5.145   0.700  -0.755  1.00  0.00           C  
HETATM    3  C   UNL     1       3.917   0.113  -0.536  1.00  0.00           C  
HETATM    4  C   UNL     1       3.841  -1.112   0.129  1.00  0.00           C  
HETATM    5  C   UNL     1       5.011  -1.735   0.569  1.00  0.00           C  
HETATM    6  C   UNL     1       2.529  -1.746   0.368  1.00  0.00           C  
HETATM    7  C   UNL     1       2.324  -2.937   1.004  1.00  0.00           C  
HETATM    8  C   UNL     1       0.944  -3.166   1.014  1.00  0.00           C  
HETATM    9  O   UNL     1       1.338  -1.244   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.860  -2.789   0.447  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.583   0.268  -0.833  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.052   3.183   2.181  1.00  0.00           C  
HETATM   13  C   UNL     1       0.863   2.145   2.098  1.00  0.00           C  
HETATM   14  C   UNL     1       0.689   1.188   1.110  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.909  -0.517  -0.467  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.379   0.592  -1.158  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.738   0.816  -1.260  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.634  -0.068  -0.673  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.163  -1.177   0.018  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.805  -1.401   0.120  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.771  -0.891  -0.087  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.269  -0.650  -0.290  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.862   1.730  -0.462  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.365   1.489  -0.258  1.00  0.00           C  
HETATM   25  C   UNL     1       6.234  -1.140   0.339  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.099   3.231   1.280  1.00  0.00           C  
HETATM   27  C   UNL     1       0.359  -2.093   0.377  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.384   1.301   0.245  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.077  -1.903   0.157  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.234   2.303   0.353  1.00  0.00           N  
HETATM   31  N   UNL     1      -9.623   0.678   0.228  1.00  0.00           N  
HETATM   32  N   UNL     1      -7.010   0.160  -0.776  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.531  -0.748  -0.367  1.00  0.00           N  
HETATM   34 BR   UNL     1       7.982   0.890  -0.622  1.00  0.00          Br  
HETATM   35  H   UNL     1       5.206   1.648  -1.270  1.00  0.00           H  
HETATM   36  H   UNL     1       3.016   0.600  -0.878  1.00  0.00           H  
HETATM   37  H   UNL     1       4.959  -2.683   1.084  1.00  0.00           H  
HETATM   38  H   UNL     1       3.084  -3.581   1.420  1.00  0.00           H  
HETATM   39  H   UNL     1       0.436  -4.019   1.439  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.976   0.748  -1.729  1.00  0.00           H  
HETATM   41  H   UNL     1       0.372  -0.205  -1.064  1.00  0.00           H  
HETATM   42  H   UNL     1       0.051   3.943   2.941  1.00  0.00           H  
HETATM   43  H   UNL     1       1.692   2.082   2.788  1.00  0.00           H  
HETATM   44  H   UNL     1       1.382   0.366   1.016  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.682   1.279  -1.614  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.103   1.679  -1.797  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.860  -1.864   0.474  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.439  -2.263   0.658  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.540  -0.868   0.978  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.500  -1.864  -0.497  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.504  -0.701  -1.354  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.835  -1.412   0.244  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.133   2.703  -0.052  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.093   1.707  -1.527  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.798   2.251  -0.793  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.129   1.539   0.805  1.00  0.00           H  
HETATM   57  H   UNL     1       7.139  -1.621   0.678  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.816   4.036   1.338  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.616   0.842   0.153  1.00  0.00           H  
CONECT    1   25   25    2   34                                       
CONECT    2    3    3    1   35                                       
CONECT    3    4    2    2   36                                       
CONECT    4    6    5    5    3                                       
CONECT    5    4    4   25   37                                       
CONECT    6    9    7    7    4                                       
CONECT    7    8    6    6   38                                       
CONECT    8   27   27    7   39                                       
CONECT    9   27    6                                                 
CONECT   10   29   29                                                 
CONECT   11   28   33   40   41                                       
CONECT   12   13   13   26   42                                       
CONECT   13   12   12   14   43                                       
CONECT   14   13   28   28   44                                       
CONECT   15   33   20   20   16                                       
CONECT   16   15   17   17   45                                       
CONECT   17   16   16   18   46                                       
CONECT   18   19   19   17   32                                       
CONECT   19   20   18   18   47                                       
CONECT   20   15   15   19   48                                       
CONECT   21   32   22   49   50                                       
CONECT   22   21   31   51   52                                       
CONECT   23   24   31   53   54                                       
CONECT   24   32   23   55   56                                       
CONECT   25    5    1    1   57                                       
CONECT   26   12   30   30   58                                       
CONECT   27   29    9    8    8                                       
CONECT   28   14   14   30   11                                       
CONECT   29   10   10   33   27                                       
CONECT   30   26   26   28                                            
CONECT   31   22   23   59                                            
CONECT   32   18   21   24                                            
CONECT   33   11   29   15                                            
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
