COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.043  -1.743   7.153  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.896  -0.972   7.189  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.618  -0.098   6.155  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.490   0.008   5.087  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.635  -0.765   5.049  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.912  -1.640   6.083  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.368   0.742   6.194  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.281   0.023   5.555  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.060   0.584   5.472  1.00  0.00           C  
HETATM   10  O   UNL     1       0.132   1.692   5.932  1.00  0.00           O  
HETATM   11  N   UNL     1       0.949  -0.083   4.879  1.00  0.00           N  
HETATM   12  C   UNL     1       2.305   0.470   4.899  1.00  0.00           C  
HETATM   13  C   UNL     1       2.912   0.384   3.498  1.00  0.00           C  
HETATM   14  N   UNL     1       2.084   1.152   2.558  1.00  0.00           N  
HETATM   15  C   UNL     1       2.726   1.028   1.223  1.00  0.00           C  
HETATM   16  C   UNL     1       0.808   0.408   2.407  1.00  0.00           C  
HETATM   17  C   UNL     1       0.317   0.754   1.011  1.00  0.00           C  
HETATM   18  C   UNL     1       1.554   1.154   0.227  1.00  0.00           C  
HETATM   19  C   UNL     1       3.167  -0.329   5.878  1.00  0.00           C  
HETATM   20  C   UNL     1       2.607  -0.176   7.294  1.00  0.00           C  
HETATM   21  C   UNL     1       3.387  -1.080   8.251  1.00  0.00           C  
HETATM   22  C   UNL     1       2.744   1.279   7.742  1.00  0.00           C  
HETATM   23  N   UNL     1       1.752   0.249  -0.907  1.00  0.00           N  
HETATM   24  C   UNL     1       1.262   0.571  -2.120  1.00  0.00           C  
HETATM   25  O   UNL     1       0.656   1.611  -2.272  1.00  0.00           O  
HETATM   26  C   UNL     1       1.466  -0.359  -3.287  1.00  0.00           C  
HETATM   27  C   UNL     1       2.964  -0.548  -3.533  1.00  0.00           C  
HETATM   28  C   UNL     1       3.172  -1.560  -4.661  1.00  0.00           C  
HETATM   29  C   UNL     1       4.660  -1.632  -5.014  1.00  0.00           C  
HETATM   30  C   UNL     1       2.689  -2.938  -4.205  1.00  0.00           C  
HETATM   31  N   UNL     1       0.843   0.213  -4.484  1.00  0.00           N  
HETATM   32  C   UNL     1       0.067  -0.555  -5.273  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.138  -1.715  -4.978  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.479  -0.037  -6.389  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.315  -0.865  -7.239  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.798  -0.052  -8.413  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.066   0.000  -9.589  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.541   0.756 -10.645  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.675   1.420 -10.542  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.397   1.393  -9.439  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.989   0.654  -8.345  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.821   0.718   0.609  1.00  0.00           O  
HETATM   43  H   UNL     1      -5.259  -2.427   7.961  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.217  -1.052   8.025  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.273   0.692   4.280  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.313  -0.685   4.213  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.807  -2.243   6.054  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.105   0.953   7.230  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.544   1.679   5.666  1.00  0.00           H  
HETATM   50  H   UNL     1       0.777  -0.930   4.438  1.00  0.00           H  
HETATM   51  H   UNL     1       2.267   1.512   5.216  1.00  0.00           H  
HETATM   52  H   UNL     1       3.921   0.796   3.513  1.00  0.00           H  
HETATM   53  H   UNL     1       2.950  -0.657   3.181  1.00  0.00           H  
HETATM   54  H   UNL     1       3.445   1.833   1.069  1.00  0.00           H  
HETATM   55  H   UNL     1       3.211   0.057   1.121  1.00  0.00           H  
HETATM   56  H   UNL     1       0.982  -0.664   2.492  1.00  0.00           H  
HETATM   57  H   UNL     1       0.086   0.737   3.155  1.00  0.00           H  
HETATM   58  H   UNL     1       1.463   2.182  -0.121  1.00  0.00           H  
HETATM   59  H   UNL     1       4.191   0.044   5.850  1.00  0.00           H  
HETATM   60  H   UNL     1       3.157  -1.382   5.595  1.00  0.00           H  
HETATM   61  H   UNL     1       1.555  -0.461   7.301  1.00  0.00           H  
HETATM   62  H   UNL     1       2.988  -0.971   9.259  1.00  0.00           H  
HETATM   63  H   UNL     1       3.289  -2.118   7.932  1.00  0.00           H  
HETATM   64  H   UNL     1       4.439  -0.795   8.244  1.00  0.00           H  
HETATM   65  H   UNL     1       3.793   1.575   7.701  1.00  0.00           H  
HETATM   66  H   UNL     1       2.161   1.919   7.080  1.00  0.00           H  
HETATM   67  H   UNL     1       2.377   1.381   8.763  1.00  0.00           H  
HETATM   68  H   UNL     1       2.237  -0.582  -0.785  1.00  0.00           H  
HETATM   69  H   UNL     1       1.009  -1.324  -3.067  1.00  0.00           H  
HETATM   70  H   UNL     1       3.409   0.406  -3.814  1.00  0.00           H  
HETATM   71  H   UNL     1       3.438  -0.915  -2.623  1.00  0.00           H  
HETATM   72  H   UNL     1       2.606  -1.248  -5.538  1.00  0.00           H  
HETATM   73  H   UNL     1       4.808  -2.353  -5.818  1.00  0.00           H  
HETATM   74  H   UNL     1       5.004  -0.650  -5.339  1.00  0.00           H  
HETATM   75  H   UNL     1       5.226  -1.944  -4.137  1.00  0.00           H  
HETATM   76  H   UNL     1       3.198  -3.214  -3.282  1.00  0.00           H  
HETATM   77  H   UNL     1       1.613  -2.907  -4.033  1.00  0.00           H  
HETATM   78  H   UNL     1       2.913  -3.675  -4.977  1.00  0.00           H  
HETATM   79  H   UNL     1       0.990   1.146  -4.707  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.737  -1.715  -7.600  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.171  -1.223  -6.668  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.136  -0.540  -9.679  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.976   0.802 -11.564  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.321   1.950  -9.392  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.585   0.635  -7.444  1.00  0.00           H  
CONECT    1    2    2    6   43                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   45                                       
CONECT    5    4    6    6   46                                       
CONECT    6    1    5    5   47                                       
CONECT    7    3    8   48   49                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   50                                            
CONECT   12   11   13   19   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   13   15   16                                            
CONECT   15   14   18   54   55                                       
CONECT   16   14   17   56   57                                       
CONECT   17   16   18   42   42                                       
CONECT   18   15   17   23   58                                       
CONECT   19   12   20   59   60                                       
CONECT   20   19   21   22   61                                       
CONECT   21   20   62   63   64                                       
CONECT   22   20   65   66   67                                       
CONECT   23   18   24   68                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   31   69                                       
CONECT   27   26   28   70   71                                       
CONECT   28   27   29   30   72                                       
CONECT   29   28   73   74   75                                       
CONECT   30   28   76   77   78                                       
CONECT   31   26   32   79                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35                                                 
CONECT   35   34   36   80   81                                       
CONECT   36   35   37   37   41                                       
CONECT   37   36   36   38   82                                       
CONECT   38   37   39   39   83                                       
CONECT   39   38   38   40                                            
CONECT   40   39   41   41   84                                       
CONECT   41   36   40   40   85                                       
CONECT   42   17   17                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
