COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.449  -4.196   0.252  1.00  0.00           O  
HETATM    2  C   UNL     1       1.643  -3.066  -0.150  1.00  0.00           C  
HETATM    3  C   UNL     1       3.001  -2.484  -0.094  1.00  0.00           C  
HETATM    4  C   UNL     1       3.249  -1.228  -0.651  1.00  0.00           C  
HETATM    5  C   UNL     1       4.519  -0.691  -0.595  1.00  0.00           C  
HETATM    6  C   UNL     1       5.544  -1.394   0.013  1.00  0.00           C  
HETATM    7  C   UNL     1       6.928  -0.800   0.071  1.00  0.00           C  
HETATM    8  C   UNL     1       7.894  -1.817   0.683  1.00  0.00           C  
HETATM    9  C   UNL     1       7.391  -0.445  -1.344  1.00  0.00           C  
HETATM   10  C   UNL     1       6.905   0.464   0.933  1.00  0.00           C  
HETATM   11  C   UNL     1       5.305  -2.638   0.567  1.00  0.00           C  
HETATM   12  C   UNL     1       4.039  -3.185   0.523  1.00  0.00           C  
HETATM   13  N   UNL     1       0.621  -2.345  -0.653  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.687  -2.832  -0.569  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.740  -1.959  -0.344  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.932  -4.193  -0.715  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.223  -4.678  -0.634  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.277  -3.815  -0.406  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.040  -2.449  -0.262  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.171  -1.521  -0.016  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.941  -0.197   0.033  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.424  -2.022   0.151  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.472  -1.173   0.378  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.242   0.179   0.434  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.396   0.781   0.662  1.00  0.00           N  
HETATM   26  C   UNL     1      -8.358  -0.137   0.753  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.805  -1.361   0.580  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.919   0.657   0.249  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.658   2.018   0.294  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.384   2.493  -0.002  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.018   3.782   0.374  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.758   4.254   0.083  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.846   3.437  -0.591  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.216   2.142  -0.967  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.476   1.675  -0.668  1.00  0.00           C  
HETATM   36  C   UNL     1       0.505   3.940  -0.906  1.00  0.00           C  
HETATM   37  O   UNL     1       0.640   5.014  -1.459  1.00  0.00           O  
HETATM   38  N   UNL     1       1.589   3.209  -0.579  1.00  0.00           N  
HETATM   39  C   UNL     1       2.945   3.751  -0.752  1.00  0.00           C  
HETATM   40  C   UNL     1       3.712   3.573   0.563  1.00  0.00           C  
HETATM   41  N   UNL     1       3.654   2.164   0.973  1.00  0.00           N  
HETATM   42  C   UNL     1       4.519   1.914   2.133  1.00  0.00           C  
HETATM   43  C   UNL     1       2.273   1.744   1.246  1.00  0.00           C  
HETATM   44  C   UNL     1       1.447   1.850  -0.036  1.00  0.00           C  
HETATM   45  H   UNL     1       2.450  -0.679  -1.126  1.00  0.00           H  
HETATM   46  H   UNL     1       4.712   0.280  -1.026  1.00  0.00           H  
HETATM   47  H   UNL     1       7.910  -2.718   0.068  1.00  0.00           H  
HETATM   48  H   UNL     1       8.895  -1.388   0.725  1.00  0.00           H  
HETATM   49  H   UNL     1       7.564  -2.070   1.690  1.00  0.00           H  
HETATM   50  H   UNL     1       6.703   0.280  -1.779  1.00  0.00           H  
HETATM   51  H   UNL     1       8.392  -0.015  -1.301  1.00  0.00           H  
HETATM   52  H   UNL     1       7.407  -1.345  -1.958  1.00  0.00           H  
HETATM   53  H   UNL     1       6.491   0.228   1.913  1.00  0.00           H  
HETATM   54  H   UNL     1       7.921   0.843   1.049  1.00  0.00           H  
HETATM   55  H   UNL     1       6.288   1.221   0.450  1.00  0.00           H  
HETATM   56  H   UNL     1       6.110  -3.182   1.040  1.00  0.00           H  
HETATM   57  H   UNL     1       3.852  -4.154   0.960  1.00  0.00           H  
HETATM   58  H   UNL     1       0.793  -1.487  -1.073  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.551  -0.901  -0.234  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.112  -4.872  -0.894  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.409  -5.736  -0.749  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.284  -4.199  -0.342  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.591  -3.088   0.104  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.404   0.062   0.936  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.324  -2.308   0.598  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.364   2.640   0.533  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.723   4.413   0.895  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.475   5.255   0.374  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.514   1.509  -1.487  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.762   0.674  -0.958  1.00  0.00           H  
HETATM   71  H   UNL     1       3.456   3.213  -1.550  1.00  0.00           H  
HETATM   72  H   UNL     1       2.887   4.810  -1.004  1.00  0.00           H  
HETATM   73  H   UNL     1       4.751   3.868   0.421  1.00  0.00           H  
HETATM   74  H   UNL     1       3.259   4.196   1.335  1.00  0.00           H  
HETATM   75  H   UNL     1       4.586   0.841   2.313  1.00  0.00           H  
HETATM   76  H   UNL     1       5.514   2.313   1.937  1.00  0.00           H  
HETATM   77  H   UNL     1       4.098   2.404   3.012  1.00  0.00           H  
HETATM   78  H   UNL     1       2.269   0.713   1.599  1.00  0.00           H  
HETATM   79  H   UNL     1       1.840   2.392   2.008  1.00  0.00           H  
HETATM   80  H   UNL     1       0.399   1.650   0.187  1.00  0.00           H  
HETATM   81  H   UNL     1       1.813   1.129  -0.767  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   13    1    1    3                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3    5   45                                       
CONECT    5    4    6    6   46                                       
CONECT    6    5    5   11    7                                       
CONECT    7    6    9   10    8                                       
CONECT    8    7   47   48   49                                       
CONECT    9    7   50   51   52                                       
CONECT   10    7   53   54   55                                       
CONECT   11   12   12    6   56                                       
CONECT   12    3   11   11   57                                       
CONECT   13   14    2   58                                            
CONECT   14   15   15   16   13                                       
CONECT   15   19   14   14   59                                       
CONECT   16   17   17   14   60                                       
CONECT   17   18   16   16   61                                       
CONECT   18   19   19   17   62                                       
CONECT   19   20   18   18   15                                       
CONECT   20   21   19   22   22                                       
CONECT   21   28   28   20                                            
CONECT   22   20   20   23   63                                       
CONECT   23   24   27   22                                            
CONECT   24   28   25   25   23                                       
CONECT   25   24   24   26                                            
CONECT   26   25   27   27   64                                       
CONECT   27   26   26   23   65                                       
CONECT   28   29   21   21   24                                       
CONECT   29   30   28   66                                            
CONECT   30   35   35   31   29                                       
CONECT   31   32   32   30   67                                       
CONECT   32   33   31   31   68                                       
CONECT   33   36   34   34   32                                       
CONECT   34   33   33   35   69                                       
CONECT   35   34   30   30   70                                       
CONECT   36   38   37   37   33                                       
CONECT   37   36   36                                                 
CONECT   38   44   39   36                                            
CONECT   39   40   38   71   72                                       
CONECT   40   41   39   73   74                                       
CONECT   41   42   43   40                                            
CONECT   42   41   75   76   77                                       
CONECT   43   41   44   78   79                                       
CONECT   44   43   38   80   81                                       
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   22                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
