COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.030  -0.725   1.153  1.00  0.00           N  
HETATM    2  C   UNL     1       7.996  -1.753   1.566  1.00  0.00           C  
HETATM    3  C   UNL     1       5.670  -1.079   1.578  1.00  0.00           C  
HETATM    4  C   UNL     1       5.448  -0.615   3.019  1.00  0.00           C  
HETATM    5  C   UNL     1       4.670  -0.406   0.674  1.00  0.00           C  
HETATM    6  O   UNL     1       5.053   0.300  -0.235  1.00  0.00           O  
HETATM    7  N   UNL     1       3.350  -0.588   0.875  1.00  0.00           N  
HETATM    8  C   UNL     1       2.378   0.066  -0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       1.071   0.234   0.728  1.00  0.00           C  
HETATM   10  O   UNL     1       0.827  -0.452   1.698  1.00  0.00           O  
HETATM   11  C   UNL     1       2.157  -0.793  -1.251  1.00  0.00           C  
HETATM   12  C   UNL     1       1.754  -2.208  -0.829  1.00  0.00           C  
HETATM   13  C   UNL     1       1.534  -3.068  -2.076  1.00  0.00           C  
HETATM   14  C   UNL     1       2.828  -3.127  -2.890  1.00  0.00           C  
HETATM   15  C   UNL     1       3.230  -1.712  -3.311  1.00  0.00           C  
HETATM   16  C   UNL     1       3.451  -0.853  -2.065  1.00  0.00           C  
HETATM   17  N   UNL     1       0.174   1.146   0.305  1.00  0.00           N  
HETATM   18  C   UNL     1       0.415   1.904  -0.939  1.00  0.00           C  
HETATM   19  C   UNL     1       0.209   3.379  -0.601  1.00  0.00           C  
HETATM   20  C   UNL     1       0.196   4.282  -1.848  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.649   5.493  -1.363  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.407   5.998   0.063  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.490   4.949  -0.184  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.174   3.519  -0.073  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.290   2.920   1.250  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.053   1.389   1.075  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.211   0.786   0.322  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.109   0.557  -0.864  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.359   0.501   0.967  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.484  -0.085   0.235  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.793   0.257   0.953  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.912  -0.601   0.349  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.635  -1.971   0.640  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.387  -2.437   0.372  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.193  -3.813   0.301  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.939  -4.325   0.036  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.871  -3.468  -0.159  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.060  -2.102  -0.091  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.317  -1.582   0.173  1.00  0.00           C  
HETATM   40  H   UNL     1       7.070  -0.572   0.157  1.00  0.00           H  
HETATM   41  H   UNL     1       7.982  -1.848   2.652  1.00  0.00           H  
HETATM   42  H   UNL     1       7.726  -2.707   1.114  1.00  0.00           H  
HETATM   43  H   UNL     1       8.995  -1.465   1.239  1.00  0.00           H  
HETATM   44  H   UNL     1       5.541  -2.160   1.521  1.00  0.00           H  
HETATM   45  H   UNL     1       5.576   0.466   3.076  1.00  0.00           H  
HETATM   46  H   UNL     1       4.438  -0.878   3.334  1.00  0.00           H  
HETATM   47  H   UNL     1       6.171  -1.102   3.673  1.00  0.00           H  
HETATM   48  H   UNL     1       3.043  -1.153   1.602  1.00  0.00           H  
HETATM   49  H   UNL     1       2.756   1.045  -0.300  1.00  0.00           H  
HETATM   50  H   UNL     1       1.365  -0.356  -1.858  1.00  0.00           H  
HETATM   51  H   UNL     1       2.546  -2.646  -0.222  1.00  0.00           H  
HETATM   52  H   UNL     1       0.832  -2.166  -0.249  1.00  0.00           H  
HETATM   53  H   UNL     1       1.247  -4.076  -1.776  1.00  0.00           H  
HETATM   54  H   UNL     1       0.742  -2.630  -2.683  1.00  0.00           H  
HETATM   55  H   UNL     1       3.620  -3.565  -2.282  1.00  0.00           H  
HETATM   56  H   UNL     1       2.671  -3.740  -3.778  1.00  0.00           H  
HETATM   57  H   UNL     1       4.152  -1.755  -3.891  1.00  0.00           H  
HETATM   58  H   UNL     1       2.438  -1.275  -3.919  1.00  0.00           H  
HETATM   59  H   UNL     1       3.738   0.155  -2.365  1.00  0.00           H  
HETATM   60  H   UNL     1       4.243  -1.290  -1.457  1.00  0.00           H  
HETATM   61  H   UNL     1       1.435   1.740  -1.285  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.294   1.594  -1.708  1.00  0.00           H  
HETATM   63  H   UNL     1       0.947   3.721   0.125  1.00  0.00           H  
HETATM   64  H   UNL     1       1.206   4.594  -2.114  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.288   3.780  -2.687  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.064   6.155  -2.122  1.00  0.00           H  
HETATM   67  H   UNL     1       0.504   5.671   0.564  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.734   7.011   0.298  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.533   5.242  -0.062  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.532   3.339   1.913  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.283   3.111   1.656  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.975   0.920   2.056  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.441   0.684   1.916  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.510   0.319  -0.776  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.696   0.041   2.016  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.023   1.314   0.812  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.869  -0.318   0.789  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.946  -0.454  -0.730  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.027  -4.483   0.453  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.792  -5.393  -0.019  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.889  -3.868  -0.365  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.225  -1.435  -0.244  1.00  0.00           H  
CONECT    1    3    2   40                                            
CONECT    2    1   41   42   43                                       
CONECT    3    5    4    1   44                                       
CONECT    4    3   45   46   47                                       
CONECT    5    6    6    7    3                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   48                                            
CONECT    8    9   11    7   49                                       
CONECT    9   17    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8   16   12   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   15   13   55   56                                       
CONECT   15   16   14   57   58                                       
CONECT   16   11   15   59   60                                       
CONECT   17   18   26    9                                            
CONECT   18   19   17   61   62                                       
CONECT   19   20   24   18   63                                       
CONECT   20   21   19   64   65                                       
CONECT   21   22   23   20   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   21   24   69                                       
CONECT   24   23   19   25                                            
CONECT   25   24   26   70   71                                       
CONECT   26   25   27   17   72                                       
CONECT   27   26   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   73                                            
CONECT   30   31   29   39   74                                       
CONECT   31   32   30   75   76                                       
CONECT   32   31   33   77   78                                       
CONECT   33   32   34                                                 
CONECT   34   33   39   39   35                                       
CONECT   35   34   36   36   79                                       
CONECT   36   35   35   37   80                                       
CONECT   37   38   38   36   81                                       
CONECT   38   39   37   37   82                                       
CONECT   39   30   34   34   38                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
