COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.315   1.015   0.789  1.00  0.00           C  
HETATM    2  C   UNL     1       3.523   0.285  -1.359  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.274   0.589   1.437  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.946  -0.851  -0.580  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.766  -2.445  -1.196  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.871  -2.443   0.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.119   3.235   1.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.687   2.868   0.782  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.882   3.800   0.373  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.582   3.543   0.091  1.00  0.00           C  
HETATM   11  C   UNL     1       0.290   4.549  -0.351  1.00  0.00           C  
HETATM   12  C   UNL     1       1.588   4.210  -0.615  1.00  0.00           C  
HETATM   13  C   UNL     1       2.011   2.890  -0.440  1.00  0.00           C  
HETATM   14  O   UNL     1       3.301   2.564  -0.705  1.00  0.00           O  
HETATM   15  C   UNL     1       3.710   1.298  -0.427  1.00  0.00           C  
HETATM   16  C   UNL     1       4.729  -0.273   1.070  1.00  0.00           C  
HETATM   17  C   UNL     1       4.542  -1.281   0.141  1.00  0.00           C  
HETATM   18  C   UNL     1       3.940  -1.002  -1.073  1.00  0.00           C  
HETATM   19  N   UNL     1       1.181   1.954  -0.024  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.088   2.233   0.245  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.028   1.197   0.712  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.670   0.044   0.868  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.301   1.578   0.965  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.968  -0.056   0.236  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.659  -1.543  -1.745  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.720  -1.635  -0.424  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.602  -2.981  -1.230  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.384  -3.614   0.858  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.067  -1.000   0.728  1.00  0.00           C  
HETATM   30 BR   UNL     1       5.111  -3.041   0.530  1.00  0.00          Br  
HETATM   31  F   UNL     1       2.934   0.558  -2.544  1.00  0.00           F  
HETATM   32  H   UNL     1       4.466   1.801   1.513  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.760  -0.179   2.015  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.016   1.081   2.065  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.184  -0.175  -0.969  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.476  -1.601   0.057  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.285  -2.928  -2.024  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.329  -3.205  -0.549  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.552  -1.824   0.587  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.211   3.537   2.118  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.422   4.059   0.429  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.761   2.373   0.889  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.055   5.565  -0.481  1.00  0.00           H  
HETATM   44  H   UNL     1       2.285   4.961  -0.957  1.00  0.00           H  
HETATM   45  H   UNL     1       5.201  -0.493   2.017  1.00  0.00           H  
HETATM   46  H   UNL     1       3.794  -1.790  -1.797  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.409   0.721  -0.390  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.094  -0.791  -2.403  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.942  -2.146  -2.304  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.455  -3.580  -0.913  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.949  -2.146  -1.839  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.921  -3.599  -1.814  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.864  -3.230   1.736  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.238  -4.212   1.175  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.703  -4.232   0.273  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.629  -1.768   1.365  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.805  -0.434   1.296  1.00  0.00           H  
CONECT    1   16   16   15   32                                       
CONECT    2   15   15   18   31                                       
CONECT    3   24   23   33   34                                       
CONECT    4   25   24   35   36                                       
CONECT    5   26   25   37   38                                       
CONECT    6   28   26   27   39                                       
CONECT    7    8   40   41   42                                       
CONECT    8    9    9    7   23                                       
CONECT    9   10    8    8                                            
CONECT   10   11    9   20   20                                       
CONECT   11   12   12   10   43                                       
CONECT   12   11   11   13   44                                       
CONECT   13   12   14   19   19                                       
CONECT   14   13   15                                                 
CONECT   15    1   14    2    2                                       
CONECT   16    1    1   17   45                                       
CONECT   17   16   30   18   18                                       
CONECT   18   17   17    2   46                                       
CONECT   19   13   13   20                                            
CONECT   20   10   10   19   21                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    8   21    3                                            
CONECT   24   29    4    3   47                                       
CONECT   25    5    4   48   49                                       
CONECT   26    6    5   29                                            
CONECT   27    6   50   51   52                                       
CONECT   28    6   53   54   55                                       
CONECT   29   26   24   56   57                                       
CONECT   30   17                                                      
CONECT   31    2                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
