COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.066   4.781  -0.712  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.098   4.319   0.095  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.906   4.840   1.168  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.250   3.151  -0.339  1.00  0.00           C  
HETATM    5  C   UNL     1       0.770   2.828   0.755  1.00  0.00           C  
HETATM    6  C   UNL     1       1.619   1.661   0.322  1.00  0.00           C  
HETATM    7  C   UNL     1       2.829   1.730  -0.396  1.00  0.00           C  
HETATM    8  C   UNL     1       3.513   2.986  -0.873  1.00  0.00           C  
HETATM    9  C   UNL     1       3.263   0.466  -0.580  1.00  0.00           C  
HETATM   10  C   UNL     1       4.523   0.060  -1.299  1.00  0.00           C  
HETATM   11  C   UNL     1       5.687   0.114  -0.344  1.00  0.00           C  
HETATM   12  C   UNL     1       7.119  -0.224  -0.698  1.00  0.00           C  
HETATM   13  C   UNL     1       7.232  -1.661  -1.139  1.00  0.00           C  
HETATM   14  C   UNL     1       7.700  -1.946  -2.329  1.00  0.00           C  
HETATM   15  C   UNL     1       7.873   0.000   0.630  1.00  0.00           C  
HETATM   16  C   UNL     1       8.924   1.100   0.478  1.00  0.00           C  
HETATM   17  C   UNL     1       6.768   0.438   1.571  1.00  0.00           C  
HETATM   18  O   UNL     1       6.908   0.725   2.741  1.00  0.00           O  
HETATM   19  N   UNL     1       5.612   0.461   0.893  1.00  0.00           N  
HETATM   20  C   UNL     1       1.362   0.357   0.555  1.00  0.00           C  
HETATM   21  N   UNL     1       2.365  -0.381  -0.001  1.00  0.00           N  
HETATM   22  C   UNL     1       0.171  -0.189   1.299  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.992  -0.331   0.351  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.233  -1.388  -0.451  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.394  -2.635  -0.559  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.890  -3.673   0.451  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.051  -4.920   0.342  1.00  0.00           C  
HETATM   28  O   UNL     1       0.850  -4.974  -0.461  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.305  -5.971   1.137  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.414  -1.113  -1.168  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.071  -2.011  -2.184  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.850   0.102  -0.777  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.984   0.585   0.159  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.084   0.804  -1.283  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.284   0.338  -0.500  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.607   0.787  -0.715  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.052   1.793  -1.744  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.407   0.140   0.184  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.809   0.273   0.341  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.450  -0.441   1.281  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.478  -0.743   0.972  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.781  -1.492   1.876  1.00  0.00           O  
HETATM   43  N   UNL     1      -5.243  -0.544   0.471  1.00  0.00           N  
HETATM   44  H   UNL     1      -2.584   5.532  -0.391  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.886   2.283  -0.510  1.00  0.00           H  
HETATM   46  H   UNL     1       0.274   3.405  -1.260  1.00  0.00           H  
HETATM   47  H   UNL     1       1.407   3.696   0.926  1.00  0.00           H  
HETATM   48  H   UNL     1       0.247   2.575   1.677  1.00  0.00           H  
HETATM   49  H   UNL     1       4.199   3.339  -0.104  1.00  0.00           H  
HETATM   50  H   UNL     1       4.068   2.773  -1.786  1.00  0.00           H  
HETATM   51  H   UNL     1       2.765   3.753  -1.073  1.00  0.00           H  
HETATM   52  H   UNL     1       4.412  -0.955  -1.681  1.00  0.00           H  
HETATM   53  H   UNL     1       4.703   0.743  -2.130  1.00  0.00           H  
HETATM   54  H   UNL     1       7.492   0.445  -1.473  1.00  0.00           H  
HETATM   55  H   UNL     1       6.928  -2.455  -0.474  1.00  0.00           H  
HETATM   56  H   UNL     1       8.005  -1.151  -2.994  1.00  0.00           H  
HETATM   57  H   UNL     1       7.781  -2.975  -2.645  1.00  0.00           H  
HETATM   58  H   UNL     1       8.330  -0.928   0.976  1.00  0.00           H  
HETATM   59  H   UNL     1       8.436   2.032   0.190  1.00  0.00           H  
HETATM   60  H   UNL     1       9.443   1.241   1.427  1.00  0.00           H  
HETATM   61  H   UNL     1       9.642   0.813  -0.290  1.00  0.00           H  
HETATM   62  H   UNL     1       2.430  -1.348   0.016  1.00  0.00           H  
HETATM   63  H   UNL     1       0.420  -1.164   1.718  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.099   0.494   2.105  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.476  -3.042  -1.567  1.00  0.00           H  
HETATM   66  H   UNL     1       0.647  -2.392  -0.349  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.808  -3.266   1.459  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.931  -3.916   0.240  1.00  0.00           H  
HETATM   69  H   UNL     1       0.259  -6.749   1.031  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.784  -2.666  -1.683  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.593  -1.403  -2.923  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.311  -2.614  -2.681  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.059   1.439   0.612  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.966   1.881  -1.161  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.226   0.572  -2.339  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.307   1.277  -2.670  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.926   2.329  -1.375  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.245   2.501  -1.934  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.362   0.949  -0.295  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.897  -1.116   1.916  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.519  -0.340   1.400  1.00  0.00           H  
CONECT    1    2   44                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   45   46                                       
CONECT    5    4    6   47   48                                       
CONECT    6    5    7   20   20                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   49   50   51                                       
CONECT    9    7    7   21   10                                       
CONECT   10    9   11   52   53                                       
CONECT   11   10   12   19   19                                       
CONECT   12   11   13   15   54                                       
CONECT   13   12   14   14   55                                       
CONECT   14   13   13   56   57                                       
CONECT   15   12   16   17   58                                       
CONECT   16   15   59   60   61                                       
CONECT   17   19   15   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   11   11   17                                            
CONECT   20    6    6   22   21                                       
CONECT   21   20    9   62                                            
CONECT   22   20   23   63   64                                       
CONECT   23   22   24   24   33                                       
CONECT   24   25   23   23   30                                       
CONECT   25   26   24   65   66                                       
CONECT   26   27   25   67   68                                       
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   27   69                                                 
CONECT   30   24   31   32   32                                       
CONECT   31   30   70   71   72                                       
CONECT   32   30   30   33   34                                       
CONECT   33   23   32   73                                            
CONECT   34   32   35   74   75                                       
CONECT   35   34   43   43   36                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   76   77   78                                       
CONECT   38   36   36   41   39                                       
CONECT   39   38   40   40   79                                       
CONECT   40   39   39   80   81                                       
CONECT   41   43   42   42   38                                       
CONECT   42   41   41                                                 
CONECT   43   35   35   41                                            
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
