COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.635  -4.169  -0.996  1.00  0.00           C  
HETATM    2  C   UNL     1       1.510   1.142  -3.120  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.444  -3.829  -1.540  1.00  0.00           C  
HETATM    4  C   UNL     1       2.965  -1.052  -0.981  1.00  0.00           C  
HETATM    5  C   UNL     1       4.182  -1.355  -0.396  1.00  0.00           C  
HETATM    6  C   UNL     1       4.973  -0.323   0.094  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.476  -4.766  -2.215  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.276  -2.500  -1.371  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.401  -2.002  -0.701  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.218  -3.003  -0.474  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.457  -2.923   0.175  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.869  -1.725   0.737  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.149  -0.619   0.572  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.049  -1.659   1.481  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.416  -0.442   2.021  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.680  -0.317   2.832  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.643   0.616   1.817  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.541   0.523   1.101  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.694   1.753   0.896  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.295   1.509   1.466  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.436   2.758   1.258  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.590   2.058  -0.599  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.731   3.307  -0.807  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.332   3.063  -0.237  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.529   4.229  -0.431  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.460   4.669  -1.789  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.698   1.894  -0.946  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.391   1.101  -1.547  1.00  0.00           O  
HETATM   29  N   UNL     1       0.639   1.729  -0.911  1.00  0.00           N  
HETATM   30  C   UNL     1       1.266   0.658  -1.689  1.00  0.00           C  
HETATM   31  C   UNL     1       2.580   0.279  -1.056  1.00  0.00           C  
HETATM   32  C   UNL     1       3.414   1.254  -0.543  1.00  0.00           C  
HETATM   33  N   UNL     1       4.571   0.935   0.004  1.00  0.00           N  
HETATM   34  N   UNL     1       6.204  -0.616   0.688  1.00  0.00           N  
HETATM   35  N   UNL     1       6.761  -1.891   0.848  1.00  0.00           N  
HETATM   36  C   UNL     1       7.921  -1.762   1.440  1.00  0.00           C  
HETATM   37  C   UNL     1       8.145  -0.400   1.678  1.00  0.00           C  
HETATM   38  F   UNL     1       9.235   0.134   2.273  1.00  0.00           F  
HETATM   39  C   UNL     1       7.078   0.288   1.209  1.00  0.00           C  
HETATM   40  H   UNL     1      -3.062  -5.160  -0.972  1.00  0.00           H  
HETATM   41  H   UNL     1       2.168   2.011  -3.102  1.00  0.00           H  
HETATM   42  H   UNL     1       1.976   0.345  -3.699  1.00  0.00           H  
HETATM   43  H   UNL     1       0.560   1.416  -3.578  1.00  0.00           H  
HETATM   44  H   UNL     1       2.332  -1.833  -1.375  1.00  0.00           H  
HETATM   45  H   UNL     1       4.513  -2.381  -0.321  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.705  -4.819  -3.280  1.00  0.00           H  
HETATM   47  H   UNL     1       0.541  -4.398  -2.079  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.566  -5.759  -1.774  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.511  -1.981  -1.663  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.027  -3.706   0.231  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.659  -2.537   1.630  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.458  -0.507   3.882  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.085   0.689   2.722  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.412  -1.044   2.478  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.153   2.599   1.409  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.369   1.292   2.531  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.837   0.664   0.953  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.894   3.604   1.771  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.439   2.585   1.664  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.132   1.212  -1.112  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.587   2.231  -1.005  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.657   3.524  -1.872  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.189   4.153  -0.294  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.127   3.845  -2.421  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.446   5.000  -2.114  1.00  0.00           H  
HETATM   66  H   UNL     1       0.245   5.496  -1.868  1.00  0.00           H  
HETATM   67  H   UNL     1       1.187   2.320  -0.371  1.00  0.00           H  
HETATM   68  H   UNL     1       0.608  -0.211  -1.707  1.00  0.00           H  
HETATM   69  H   UNL     1       3.119   2.292  -0.599  1.00  0.00           H  
HETATM   70  H   UNL     1       8.591  -2.567   1.700  1.00  0.00           H  
HETATM   71  H   UNL     1       6.946   1.359   1.238  1.00  0.00           H  
CONECT    1    3    3   10   40                                       
CONECT    2   30   41   42   43                                       
CONECT    3    7    1    1    8                                       
CONECT    4    5   31   31   44                                       
CONECT    5    6    6    4   45                                       
CONECT    6   34    5    5   33                                       
CONECT    7    3   46   47   48                                       
CONECT    8    3    9   49                                            
CONECT    9   10   10    8                                            
CONECT   10    1   11    9    9                                       
CONECT   11   12   10   50                                            
CONECT   12   13   13   14   11                                       
CONECT   13   18   12   12                                            
CONECT   14   15   15   12   51                                       
CONECT   15   17   16   14   14                                       
CONECT   16   15   52   53   54                                       
CONECT   17   18   18   15                                            
CONECT   18   19   17   17   13                                       
CONECT   19   20   22   18   55                                       
CONECT   20   21   19   56   57                                       
CONECT   21   24   20   58   59                                       
CONECT   22   23   19   60   61                                       
CONECT   23   24   22   62   63                                       
CONECT   24   27   21   23   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   64   65   66                                       
CONECT   27   28   28   29   24                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   67                                            
CONECT   30   31    2   29   68                                       
CONECT   31    4    4   32   30                                       
CONECT   32   33   33   31   69                                       
CONECT   33    6   32   32                                            
CONECT   34   35   39    6                                            
CONECT   35   36   36   34                                            
CONECT   36   37   35   35   70                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37                                                      
CONECT   39   37   37   34   71                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
