COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.825   0.736  -2.208  1.00  0.00           N  
HETATM    2  C   UNL     1       1.462  -1.135  -0.444  1.00  0.00           C  
HETATM    3  C   UNL     1       1.599   0.959  -1.979  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.905   0.499  -0.965  1.00  0.00           C  
HETATM    5  C   UNL     1       2.578  -1.944  -0.559  1.00  0.00           C  
HETATM    6  C   UNL     1       1.336  -0.282   0.637  1.00  0.00           C  
HETATM    7  C   UNL     1       1.374   1.970  -1.066  1.00  0.00           C  
HETATM    8  C   UNL     1       2.869   0.764  -2.497  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.899   0.680  -1.928  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.199   0.717   0.388  1.00  0.00           C  
HETATM   11  C   UNL     1       3.567  -1.900   0.405  1.00  0.00           C  
HETATM   12  C   UNL     1       2.325  -0.236   1.601  1.00  0.00           C  
HETATM   13  C   UNL     1       3.911   1.584  -2.099  1.00  0.00           C  
HETATM   14  C   UNL     1       2.416   2.789  -0.669  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.163   1.072  -1.547  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.473   1.111   0.760  1.00  0.00           C  
HETATM   17  C   UNL     1       3.441  -1.046   1.486  1.00  0.00           C  
HETATM   18  C   UNL     1       3.684   2.596  -1.185  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.454   1.289  -0.205  1.00  0.00           C  
HETATM   20 CL   UNL     1       4.683  -0.990   2.698  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -7.664   1.840  -0.881  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.678  -0.138   3.581  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.621   2.128   3.115  1.00  0.00           C  
HETATM   24  C   UNL     1       0.650  -4.764  -0.497  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.254  -5.666  -0.114  1.00  0.00           N  
HETATM   26  O   UNL     1       1.597  -5.137  -1.157  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.484  -5.352   0.600  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.798  -3.030   0.371  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.367  -4.005   1.316  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.947  -1.068  -0.885  1.00  0.00           N  
HETATM   31  O   UNL     1      -6.702   1.676   0.163  1.00  0.00           O  
HETATM   32  C   UNL     1       0.546  -3.302  -0.156  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.485  -1.932  -0.002  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.590  -1.721   0.459  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.550   0.072  -1.369  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.238   0.543   1.331  1.00  0.00           O  
HETATM   37  C   UNL     1       0.466   0.063  -2.407  1.00  0.00           C  
HETATM   38  C   UNL     1       0.387  -1.179  -1.498  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.641   0.656   2.697  1.00  0.00           C  
HETATM   40 BR   UNL     1       2.106   4.174   0.581  1.00  0.00          Br  
HETATM   41  F   UNL     1       3.091  -0.225  -3.390  1.00  0.00           F  
HETATM   42  H   UNL     1       2.675  -2.611  -1.403  1.00  0.00           H  
HETATM   43  H   UNL     1       0.465   0.350   0.727  1.00  0.00           H  
HETATM   44  H   UNL     1       0.384   2.122  -0.662  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.677   0.513  -2.972  1.00  0.00           H  
HETATM   46  H   UNL     1       4.438  -2.532   0.314  1.00  0.00           H  
HETATM   47  H   UNL     1       2.226   0.431   2.445  1.00  0.00           H  
HETATM   48  H   UNL     1       4.902   1.433  -2.502  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.931   1.212  -2.294  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.703   1.280   1.801  1.00  0.00           H  
HETATM   51  H   UNL     1       4.497   3.235  -0.874  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.616   2.151  -0.452  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.315   2.601  -1.580  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.794   0.895  -1.408  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.985  -0.052   4.623  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.692  -1.187   3.283  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.669   0.258   3.466  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.612   2.524   3.000  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.308   2.693   2.485  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.929   2.214   4.157  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.080  -6.597  -0.326  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.310  -5.311  -0.110  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.682  -6.134   1.334  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.354  -3.673   1.638  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.712  -4.104   2.181  1.00  0.00           H  
HETATM   66  H   UNL     1       1.286  -3.052   0.605  1.00  0.00           H  
HETATM   67  H   UNL     1       0.722  -2.705  -1.050  1.00  0.00           H  
HETATM   68  H   UNL     1       0.586  -0.232  -3.450  1.00  0.00           H  
HETATM   69  H   UNL     1       0.464  -2.094  -2.086  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.650   0.259   2.812  1.00  0.00           H  
CONECT    1   35   35   37                                            
CONECT    2    5    5    6   38                                       
CONECT    3    7    7    8   37                                       
CONECT    4    9    9   10   35                                       
CONECT    5    2    2   11   42                                       
CONECT    6    2   12   12   43                                       
CONECT    7    3    3   14   44                                       
CONECT    8    3   13   13   41                                       
CONECT    9    4    4   15   45                                       
CONECT   10    4   16   16   36                                       
CONECT   11    5   17   17   46                                       
CONECT   12    6    6   17   47                                       
CONECT   13    8    8   18   48                                       
CONECT   14    7   18   18   40                                       
CONECT   15    9   19   19   49                                       
CONECT   16   10   10   19   50                                       
CONECT   17   11   11   12   20                                       
CONECT   18   13   14   14   51                                       
CONECT   19   15   15   16   31                                       
CONECT   20   17                                                      
CONECT   21   31   52   53   54                                       
CONECT   22   39   55   56   57                                       
CONECT   23   39   58   59   60                                       
CONECT   24   25   26   26   32                                       
CONECT   25   24   27   61                                            
CONECT   26   24   24                                                 
CONECT   27   25   29   62   63                                       
CONECT   28   29   32   33                                            
CONECT   29   27   28   64   65                                       
CONECT   30   33   35   38                                            
CONECT   31   19   21                                                 
CONECT   32   24   28   66   67                                       
CONECT   33   28   30   34   34                                       
CONECT   34   33   33                                                 
CONECT   35    1    1    4   30                                       
CONECT   36   10   39                                                 
CONECT   37    1    3   38   68                                       
CONECT   38    2   30   37   69                                       
CONECT   39   22   23   36   70                                       
CONECT   40   14                                                      
CONECT   41    8                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
