COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.862   1.396   0.421  1.00  0.00           C  
HETATM    2  C   UNL     1       2.376   1.378   0.056  1.00  0.00           C  
HETATM    3  C   UNL     1       1.539   1.630   1.312  1.00  0.00           C  
HETATM    4  C   UNL     1       4.385  -3.297  -0.215  1.00  0.00           C  
HETATM    5  O   UNL     1       5.757  -3.471   0.143  1.00  0.00           O  
HETATM    6  C   UNL     1       6.535  -2.361   0.157  1.00  0.00           C  
HETATM    7  C   UNL     1       7.888  -2.477   0.501  1.00  0.00           C  
HETATM    8  C   UNL     1       8.682  -1.370   0.519  1.00  0.00           C  
HETATM    9  C   UNL     1       8.106  -0.126   0.186  1.00  0.00           C  
HETATM   10  N   UNL     1       8.834   0.993   0.187  1.00  0.00           N  
HETATM   11  C   UNL     1       8.303   2.151  -0.122  1.00  0.00           C  
HETATM   12  C   UNL     1       6.958   2.270  -0.465  1.00  0.00           C  
HETATM   13  C   UNL     1       6.159   1.163  -0.484  1.00  0.00           C  
HETATM   14  C   UNL     1       4.701   1.269  -0.852  1.00  0.00           C  
HETATM   15  O   UNL     1       4.499   2.421  -1.673  1.00  0.00           O  
HETATM   16  C   UNL     1       0.054   1.612   0.947  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.310   0.248   0.358  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.737   0.230   0.008  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.560  -0.124   1.171  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.014  -0.132   0.775  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.594  -1.294   0.301  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.930  -1.303  -0.063  1.00  0.00           C  
HETATM   23  F   UNL     1      -6.496  -2.439  -0.525  1.00  0.00           F  
HETATM   24  C   UNL     1      -6.684  -0.147   0.046  1.00  0.00           C  
HETATM   25 BR   UNL     1      -8.509  -0.157  -0.451  1.00  0.00          Br  
HETATM   26  C   UNL     1      -6.102   1.017   0.521  1.00  0.00           C  
HETATM   27  F   UNL     1      -6.837   2.145   0.628  1.00  0.00           F  
HETATM   28  C   UNL     1      -4.767   1.021   0.889  1.00  0.00           C  
HETATM   29  C   UNL     1       0.526  -0.005  -0.898  1.00  0.00           C  
HETATM   30  C   UNL     1       2.012   0.014  -0.533  1.00  0.00           C  
HETATM   31  C   UNL     1       6.732  -0.079  -0.152  1.00  0.00           C  
HETATM   32  N   UNL     1       6.003  -1.199  -0.158  1.00  0.00           N  
HETATM   33  H   UNL     1       4.101   2.335   0.921  1.00  0.00           H  
HETATM   34  H   UNL     1       4.083   0.562   1.087  1.00  0.00           H  
HETATM   35  H   UNL     1       2.172   2.157  -0.679  1.00  0.00           H  
HETATM   36  H   UNL     1       1.743   0.851   2.047  1.00  0.00           H  
HETATM   37  H   UNL     1       1.798   2.602   1.732  1.00  0.00           H  
HETATM   38  H   UNL     1       3.909  -2.615   0.490  1.00  0.00           H  
HETATM   39  H   UNL     1       4.321  -2.883  -1.221  1.00  0.00           H  
HETATM   40  H   UNL     1       3.877  -4.262  -0.186  1.00  0.00           H  
HETATM   41  H   UNL     1       8.301  -3.443   0.751  1.00  0.00           H  
HETATM   42  H   UNL     1       9.727  -1.443   0.782  1.00  0.00           H  
HETATM   43  H   UNL     1       8.924   3.035  -0.110  1.00  0.00           H  
HETATM   44  H   UNL     1       6.547   3.238  -0.714  1.00  0.00           H  
HETATM   45  H   UNL     1       4.399   0.375  -1.399  1.00  0.00           H  
HETATM   46  H   UNL     1       4.747   3.254  -1.250  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.543   1.792   1.842  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.150   2.391   0.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.107  -0.531   1.092  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.912  -0.397  -0.763  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.276  -1.113   1.530  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.404   0.609   1.963  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.005  -2.195   0.216  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.313   1.928   1.260  1.00  0.00           H  
HETATM   55  H   UNL     1       0.268  -0.977  -1.318  1.00  0.00           H  
HETATM   56  H   UNL     1       0.323   0.774  -1.633  1.00  0.00           H  
HETATM   57  H   UNL     1       2.608  -0.166  -1.428  1.00  0.00           H  
HETATM   58  H   UNL     1       2.216  -0.765   0.201  1.00  0.00           H  
CONECT    1    2   14   33   34                                       
CONECT    2   30    3    1   35                                       
CONECT    3   16    2   36   37                                       
CONECT    4    5   38   39   40                                       
CONECT    5    4    6                                                 
CONECT    6   32    5    7    7                                       
CONECT    7    6    6    8   41                                       
CONECT    8    9    9    7   42                                       
CONECT    9   31   10    8    8                                       
CONECT   10   11   11    9                                            
CONECT   11   12   10   10   43                                       
CONECT   12   13   13   11   44                                       
CONECT   13   14   12   12   31                                       
CONECT   14   15    1   13   45                                       
CONECT   15   14   46                                                 
CONECT   16   17    3   47   48                                       
CONECT   17   18   29   16   49                                       
CONECT   18   19   17   50                                            
CONECT   19   20   18   51   52                                       
CONECT   20   21   21   28   19                                       
CONECT   21   22   20   20   53                                       
CONECT   22   23   24   24   21                                       
CONECT   23   22                                                      
CONECT   24   25   22   22   26                                       
CONECT   25   24                                                      
CONECT   26   24   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26   20   54                                       
CONECT   29   17   30   55   56                                       
CONECT   30   29    2   57   58                                       
CONECT   31   13   32   32    9                                       
CONECT   32   31   31    6                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
