COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.604  -0.229   0.098  1.00  0.00           N  
HETATM    2  C   UNL     1       3.037  -3.958   0.499  1.00  0.00           C  
HETATM    3  C   UNL     1       5.572  -3.330   0.649  1.00  0.00           C  
HETATM    4  C   UNL     1       0.256  -0.044  -0.254  1.00  0.00           C  
HETATM    5  C   UNL     1       0.672  -4.554   0.052  1.00  0.00           C  
HETATM    6  C   UNL     1       1.965   1.317   0.967  1.00  0.00           C  
HETATM    7  C   UNL     1       3.120   2.076   0.994  1.00  0.00           C  
HETATM    8  C   UNL     1       3.824   2.304  -0.175  1.00  0.00           C  
HETATM    9  F   UNL     1      -3.705   1.597   1.519  1.00  0.00           F  
HETATM   10  C   UNL     1      -5.089   1.401   1.454  1.00  0.00           C  
HETATM   11  F   UNL     1      -5.450   0.344   2.297  1.00  0.00           F  
HETATM   12  F   UNL     1      -5.745   2.567   1.862  1.00  0.00           F  
HETATM   13  C   UNL     1      -5.483   1.071   0.038  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.402   1.862  -0.626  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.764   1.560  -1.925  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.207   0.467  -2.561  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.288  -0.325  -1.898  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.922  -0.019  -0.600  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.920  -0.882   0.123  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.698  -0.833   1.084  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.392  -0.038   1.133  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.023  -0.266  -1.250  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.726   0.546  -1.270  1.00  0.00           C  
HETATM   24  C   UNL     1       1.513   0.788  -0.227  1.00  0.00           C  
HETATM   25  C   UNL     1       2.213   1.020  -1.396  1.00  0.00           C  
HETATM   26  C   UNL     1       3.372   1.773  -1.370  1.00  0.00           C  
HETATM   27 BR   UNL     1       5.405   3.342  -0.140  1.00  0.00          Br  
HETATM   28  C   UNL     1       0.596  -1.459  -0.646  1.00  0.00           C  
HETATM   29  O   UNL     1       0.198  -1.909  -1.699  1.00  0.00           O  
HETATM   30  N   UNL     1       1.342  -2.224   0.175  1.00  0.00           N  
HETATM   31  CA  UNL     1       1.764  -3.561  -0.252  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.354  -4.183   0.572  1.00  0.00           O  
HETATM   33  OXT UNL     1       0.838  -5.850  -0.255  1.00  0.00           O  
HETATM   34  C   UNL     1       4.179  -3.024   0.094  1.00  0.00           C  
HETATM   35  C   UNL     1       4.782  -2.133   1.182  1.00  0.00           C  
HETATM   36  H   UNL     1       2.865  -3.878   1.572  1.00  0.00           H  
HETATM   37  H   UNL     1       3.301  -4.985   0.248  1.00  0.00           H  
HETATM   38  H   UNL     1       5.674  -4.197   1.303  1.00  0.00           H  
HETATM   39  H   UNL     1       6.427  -3.123   0.006  1.00  0.00           H  
HETATM   40  H   UNL     1       1.418   1.135   1.880  1.00  0.00           H  
HETATM   41  H   UNL     1       3.473   2.490   1.926  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.838   2.717  -0.128  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.483   2.178  -2.443  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.490   0.230  -3.576  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.853  -1.179  -2.395  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.853  -1.852  -0.370  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.238  -1.020   1.156  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.169  -0.819   2.067  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.486  -1.863   0.798  1.00  0.00           H  
HETATM   50  H   UNL     1       0.286  -0.496   1.853  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.602   0.989   1.432  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.809  -1.299  -1.525  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.730   0.160  -1.962  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.941   1.582  -1.009  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.287   0.505  -2.267  1.00  0.00           H  
HETATM   56  H   UNL     1       1.860   0.606  -2.329  1.00  0.00           H  
HETATM   57  H   UNL     1       3.921   1.951  -2.282  1.00  0.00           H  
HETATM   58  H   UNL     1       1.600  -1.891   1.049  1.00  0.00           H  
HETATM   59  HA  UNL     1       1.961  -3.554  -1.324  1.00  0.00           H  
HETATM   60  HXT UNL     1       0.110  -6.449  -0.041  1.00  0.00           H  
HETATM   61  H   UNL     1       4.118  -2.616  -0.914  1.00  0.00           H  
HETATM   62  H   UNL     1       4.365  -2.212   2.186  1.00  0.00           H  
HETATM   63  H   UNL     1       5.118  -1.138   0.889  1.00  0.00           H  
CONECT    1   22   20   19                                            
CONECT    2   34   31   36   37                                       
CONECT    3   35   34   38   39                                       
CONECT    4   24   28   23   21                                       
CONECT    5   31   32   32   33                                       
CONECT    6    7    7   24   40                                       
CONECT    7    8    6    6   41                                       
CONECT    8   27   26   26    7                                       
CONECT    9   10                                                      
CONECT   10   11   13   12    9                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   18   10   14   14                                       
CONECT   14   13   13   15   42                                       
CONECT   15   16   16   14   43                                       
CONECT   16   17   15   15   44                                       
CONECT   17   18   18   16   45                                       
CONECT   18   19   17   17   13                                       
CONECT   19    1   18   46   47                                       
CONECT   20   21    1   48   49                                       
CONECT   21    4   20   50   51                                       
CONECT   22   23    1   52   53                                       
CONECT   23    4   22   54   55                                       
CONECT   24   25   25    6    4                                       
CONECT   25   26   24   24   56                                       
CONECT   26    8    8   25   57                                       
CONECT   27    8                                                      
CONECT   28   29   29   30    4                                       
CONECT   29   28   28                                                 
CONECT   30   31   28   58                                            
CONECT   31    2   30    5   59                                       
CONECT   32    5    5                                                 
CONECT   33    5   60                                                 
CONECT   34    3   35    2   61                                       
CONECT   35    3   34   62   63                                       
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
