COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.175   1.311  -0.073  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.748  -1.814   1.631  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.773  -0.643   1.474  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.779  -2.104   0.286  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.638  -0.974  -0.925  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.615  -2.163  -0.866  1.00  0.00           C  
HETATM    7  N   UNL     1       1.043   1.930   0.107  1.00  0.00           N  
HETATM    8  C   UNL     1       2.856   0.412   0.726  1.00  0.00           C  
HETATM    9  C   UNL     1       2.171  -1.752   1.541  1.00  0.00           C  
HETATM   10  C   UNL     1       6.211  -1.302   2.645  1.00  0.00           C  
HETATM   11  C   UNL     1       0.783  -1.700   0.900  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.885   0.057   0.257  1.00  0.00           C  
HETATM   13  C   UNL     1       0.445  -0.283   0.528  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.221   2.224  -0.146  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.604  -1.870   1.526  1.00  0.00           C  
HETATM   16  C   UNL     1       4.433  -1.315   1.021  1.00  0.00           C  
HETATM   17  C   UNL     1       4.896  -1.022   2.287  1.00  0.00           C  
HETATM   18  C   UNL     1       1.406   0.697   0.445  1.00  0.00           C  
HETATM   19  N   UNL     1       3.115  -1.031   0.672  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.884  -0.900   0.333  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.435  -2.031   0.348  1.00  0.00           N  
HETATM   22  O   UNL     1      -6.325  -2.357  -0.766  1.00  0.00           O  
HETATM   23  C   UNL     1       7.077  -1.867   1.759  1.00  0.00           C  
HETATM   24  C   UNL     1       6.646  -2.176   0.457  1.00  0.00           C  
HETATM   25  C   UNL     1       5.310  -1.896   0.080  1.00  0.00           C  
HETATM   26  C   UNL     1       7.517  -2.760  -0.479  1.00  0.00           C  
HETATM   27  C   UNL     1       7.068  -3.047  -1.731  1.00  0.00           C  
HETATM   28  C   UNL     1       5.754  -2.770  -2.102  1.00  0.00           C  
HETATM   29  C   UNL     1       4.881  -2.206  -1.220  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.548   3.494  -0.486  1.00  0.00           O  
HETATM   31  C   UNL     1       0.518   4.443  -0.550  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.040   5.811  -0.947  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.906   6.330   0.127  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.326   7.594   0.630  1.00  0.00           C  
HETATM   35  C   UNL     1       0.533   8.130  -0.542  1.00  0.00           C  
HETATM   36  C   UNL     1       1.117   6.816  -1.133  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.278   6.537  -0.357  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.515  -2.151  -2.103  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.714  -2.921   1.605  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.157  -3.467  -2.257  1.00  0.00           C  
HETATM   41  N   UNL     1      -5.652  -4.483  -2.375  1.00  0.00           N  
HETATM   42 CL   UNL     1       3.247  -1.871  -1.704  1.00  0.00          Cl  
HETATM   43  F   UNL     1      -7.173  -0.594   1.474  1.00  0.00           F  
HETATM   44  H   UNL     1      -3.199  -2.714   1.908  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.481  -1.580   2.403  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.333   0.275   1.298  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.180  -0.539   2.382  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.947  -1.110  -1.756  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.200  -0.051  -1.067  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.054  -3.097  -0.831  1.00  0.00           H  
HETATM   51  H   UNL     1       3.473   0.917  -0.018  1.00  0.00           H  
HETATM   52  H   UNL     1       3.111   0.785   1.718  1.00  0.00           H  
HETATM   53  H   UNL     1       2.140  -1.278   2.522  1.00  0.00           H  
HETATM   54  H   UNL     1       2.487  -2.790   1.646  1.00  0.00           H  
HETATM   55  H   UNL     1       6.552  -1.064   3.642  1.00  0.00           H  
HETATM   56  H   UNL     1       0.774  -2.322   0.005  1.00  0.00           H  
HETATM   57  H   UNL     1       0.043  -2.075   1.608  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.966  -1.948   2.407  1.00  0.00           H  
HETATM   59  H   UNL     1       4.230  -0.571   3.007  1.00  0.00           H  
HETATM   60  H   UNL     1       8.094  -2.076   2.056  1.00  0.00           H  
HETATM   61  H   UNL     1       8.539  -2.979  -0.206  1.00  0.00           H  
HETATM   62  H   UNL     1       7.740  -3.495  -2.448  1.00  0.00           H  
HETATM   63  H   UNL     1       5.422  -3.008  -3.102  1.00  0.00           H  
HETATM   64  H   UNL     1       0.998   4.516   0.426  1.00  0.00           H  
HETATM   65  H   UNL     1       1.249   4.120  -1.291  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.608   5.725  -1.873  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.117   8.303   0.876  1.00  0.00           H  
HETATM   68  H   UNL     1       0.299   7.403   1.502  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.087   8.644  -1.277  1.00  0.00           H  
HETATM   70  H   UNL     1       1.326   8.782  -0.179  1.00  0.00           H  
HETATM   71  H   UNL     1       1.995   6.498  -0.571  1.00  0.00           H  
HETATM   72  H   UNL     1       1.357   6.942  -2.188  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.686   5.589  -0.708  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.896   6.920   0.455  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.270   7.254  -1.178  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.282  -1.385  -1.987  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.915  -1.934  -2.987  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.270  -3.916   1.646  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.310  -2.752   2.502  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.351  -2.843   0.725  1.00  0.00           H  
CONECT    1   12   12   14                                            
CONECT    2    3   21   44   45                                       
CONECT    3   20    2   46   47                                       
CONECT    4   21   22   22   15                                       
CONECT    5   20    6   48   49                                       
CONECT    6    5   38   21   50                                       
CONECT    7   18   14   14                                            
CONECT    8   19   18   51   52                                       
CONECT    9   19   11   53   54                                       
CONECT   10   23   23   17   55                                       
CONECT   11    9   13   56   57                                       
CONECT   12   13   20    1    1                                       
CONECT   13   11   18   18   12                                       
CONECT   14    7    7    1   30                                       
CONECT   15    4   43   39   58                                       
CONECT   16   17   17   25   19                                       
CONECT   17   10   16   16   59                                       
CONECT   18    8   13   13    7                                       
CONECT   19   16    9    8                                            
CONECT   20    5   12    3                                            
CONECT   21    6    2    4                                            
CONECT   22    4    4                                                 
CONECT   23   10   10   24   60                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24   16   29   29                                       
CONECT   26   24   24   27   61                                       
CONECT   27   26   28   28   62                                       
CONECT   28   27   27   29   63                                       
CONECT   29   25   25   28   42                                       
CONECT   30   14   31                                                 
CONECT   31   30   32   64   65                                       
CONECT   32   31   33   36   66                                       
CONECT   33   34   32   37                                            
CONECT   34   33   35   67   68                                       
CONECT   35   34   36   69   70                                       
CONECT   36   35   32   71   72                                       
CONECT   37   33   73   74   75                                       
CONECT   38   40    6   76   77                                       
CONECT   39   15   78   79   80                                       
CONECT   40   41   41   41   38                                       
CONECT   41   40   40   40                                            
CONECT   42   29                                                      
CONECT   43   15                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
