COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.615   4.021   0.736  1.00  0.00           N  
HETATM    2  C   UNL     1       3.448   2.973   0.555  1.00  0.00           C  
HETATM    3  O   UNL     1       4.636   3.144   0.664  1.00  0.00           O  
HETATM    4  N   UNL     1       3.732   0.534   0.737  1.00  0.00           N  
HETATM    5  C   UNL     1       1.495   1.536   0.810  1.00  0.00           C  
HETATM    6  N   UNL     1       0.970   0.331   1.133  1.00  0.00           N  
HETATM    7  C   UNL     1       3.114  -0.727   0.645  1.00  0.00           C  
HETATM    8  C   UNL     1       1.735  -0.812   0.872  1.00  0.00           C  
HETATM    9  C   UNL     1       1.290   3.837   0.845  1.00  0.00           C  
HETATM   10  C   UNL     1       2.863   1.618   0.222  1.00  0.00           C  
HETATM   11  N   UNL     1       0.776   2.613   1.015  1.00  0.00           N  
HETATM   12  C   UNL     1       3.829  -1.894   0.354  1.00  0.00           C  
HETATM   13  C   UNL     1       3.155  -3.106   0.341  1.00  0.00           C  
HETATM   14  C   UNL     1       1.789  -3.175   0.569  1.00  0.00           C  
HETATM   15  C   UNL     1       1.076  -2.029   0.831  1.00  0.00           C  
HETATM   16  C   UNL     1       1.096  -4.514   0.526  1.00  0.00           C  
HETATM   17  C   UNL     1       3.802  -4.451   0.110  1.00  0.00           C  
HETATM   18  O   UNL     1       0.545   4.796   0.800  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.374   0.263   1.715  1.00  0.00           C  
HETATM   20  C   UNL     1       4.858   0.610  -0.230  1.00  0.00           C  
HETATM   21  C   UNL     1       5.300  -1.862   0.053  1.00  0.00           C  
HETATM   22  C   UNL     1       5.879  -0.452   0.029  1.00  0.00           C  
HETATM   23  C   UNL     1       5.608  -2.478  -1.318  1.00  0.00           C  
HETATM   24  C   UNL     1       6.079  -2.628   1.135  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.408   0.133   0.596  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.811   0.062   1.203  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.845  -0.069   0.083  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.204  -0.378  -0.344  1.00  0.00           O  
HETATM   29  P   UNL     1      -7.784  -0.511  -0.065  1.00  0.00           P  
HETATM   30  O   UNL     1      -8.062  -1.818   0.833  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.261   0.692   0.654  1.00  0.00           O  
HETATM   32  O   UNL     1      -8.567  -0.645  -1.465  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.320   1.267  -0.269  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.899  -1.072   2.068  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.757   1.066  -0.781  1.00  0.00           O  
HETATM   36  C   UNL     1       4.120   0.545  -1.578  1.00  0.00           C  
HETATM   37  C   UNL     1       2.894   1.469  -1.311  1.00  0.00           C  
HETATM   38  C   UNL     1       1.627   0.859  -1.854  1.00  0.00           C  
HETATM   39  C   UNL     1       0.640   1.670  -2.382  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.521   1.110  -2.880  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.696  -0.261  -2.850  1.00  0.00           C  
HETATM   42  C   UNL     1       0.291  -1.072  -2.322  1.00  0.00           C  
HETATM   43  C   UNL     1       1.455  -0.513  -1.829  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.248  -0.139   0.691  1.00  0.00           C  
HETATM   45  H   UNL     1       2.981   4.917   0.768  1.00  0.00           H  
HETATM   46  H   UNL     1       0.011  -2.109   0.989  1.00  0.00           H  
HETATM   47  H   UNL     1       1.103  -4.959   1.521  1.00  0.00           H  
HETATM   48  H   UNL     1       0.066  -4.379   0.196  1.00  0.00           H  
HETATM   49  H   UNL     1       1.617  -5.171  -0.169  1.00  0.00           H  
HETATM   50  H   UNL     1       3.675  -4.742  -0.933  1.00  0.00           H  
HETATM   51  H   UNL     1       4.865  -4.388   0.342  1.00  0.00           H  
HETATM   52  H   UNL     1       3.333  -5.195   0.754  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.441  -0.602   2.375  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.569   1.171   2.286  1.00  0.00           H  
HETATM   55  H   UNL     1       5.350   1.586  -0.154  1.00  0.00           H  
HETATM   56  H   UNL     1       6.654  -0.410  -0.747  1.00  0.00           H  
HETATM   57  H   UNL     1       6.369  -0.263   0.992  1.00  0.00           H  
HETATM   58  H   UNL     1       5.306  -3.526  -1.321  1.00  0.00           H  
HETATM   59  H   UNL     1       5.058  -1.939  -2.090  1.00  0.00           H  
HETATM   60  H   UNL     1       6.677  -2.408  -1.516  1.00  0.00           H  
HETATM   61  H   UNL     1       5.851  -3.691   1.063  1.00  0.00           H  
HETATM   62  H   UNL     1       7.148  -2.475   0.990  1.00  0.00           H  
HETATM   63  H   UNL     1       5.790  -2.260   2.120  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.214  -0.775   0.025  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.006   0.970   1.774  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.651  -0.977  -0.487  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.774  -2.645   0.423  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.526  -0.729  -1.373  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.483   2.112   0.172  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.736  -1.917   1.626  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.920   1.910  -0.340  1.00  0.00           H  
HETATM   72  H   UNL     1       4.736   0.951  -2.378  1.00  0.00           H  
HETATM   73  H   UNL     1       3.791  -0.464  -1.807  1.00  0.00           H  
HETATM   74  H   UNL     1       3.064   2.447  -1.777  1.00  0.00           H  
HETATM   75  H   UNL     1       0.776   2.741  -2.405  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.293   1.743  -3.292  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.604  -0.699  -3.239  1.00  0.00           H  
HETATM   78  H   UNL     1       0.155  -2.143  -2.299  1.00  0.00           H  
HETATM   79  H   UNL     1       2.229  -1.147  -1.421  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.289  -0.951   1.417  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.477   0.804   1.187  1.00  0.00           H  
CONECT    1    2    9   45                                            
CONECT    2   10    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    7   20   10                                            
CONECT    5    6   10   11   11                                       
CONECT    6    8   19    5                                            
CONECT    7   12   12    8    4                                       
CONECT    8   15   15    7    6                                       
CONECT    9   11    1   18   18                                       
CONECT   10    4    5    2   37                                       
CONECT   11    5    5    9                                            
CONECT   12   13   21    7    7                                       
CONECT   13   17   14   14   12                                       
CONECT   14   16   13   13   15                                       
CONECT   15   14    8    8   46                                       
CONECT   16   14   47   48   49                                       
CONECT   17   13   50   51   52                                       
CONECT   18    9    9                                                 
CONECT   19    6   25   53   54                                       
CONECT   20   22    4   36   55                                       
CONECT   21   23   24   12   22                                       
CONECT   22   21   20   56   57                                       
CONECT   23   21   58   59   60                                       
CONECT   24   21   61   62   63                                       
CONECT   25   33   19   26   64                                       
CONECT   26   25   27   34   65                                       
CONECT   27   26   35   44   66                                       
CONECT   28   44   29                                                 
CONECT   29   28   31   31   30                                       
CONECT   29   32                                                      
CONECT   30   29   67                                                 
CONECT   31   29   29                                                 
CONECT   32   29   68                                                 
CONECT   33   25   69                                                 
CONECT   34   26   70                                                 
CONECT   35   27   71                                                 
CONECT   36   20   37   72   73                                       
CONECT   37   36   10   38   74                                       
CONECT   38   37   43   43   39                                       
CONECT   39   38   40   40   75                                       
CONECT   40   39   39   41   76                                       
CONECT   41   42   42   40   77                                       
CONECT   42   43   41   41   78                                       
CONECT   43   38   38   42   79                                       
CONECT   44   27   28   80   81                                       
CONECT   45    1                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
