COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.794   1.335  -2.687  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.639   0.748  -3.608  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.913   0.326  -3.251  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.912   2.466   0.798  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.366   0.475  -1.949  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.929   3.192   3.231  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.717   3.622   2.846  1.00  0.00           C  
HETATM    8  O   UNL     1       8.641  -0.099   0.779  1.00  0.00           O  
HETATM    9  P   UNL     1       7.895  -1.110  -0.229  1.00  0.00           P  
HETATM   10  O   UNL     1       8.262  -0.777  -1.623  1.00  0.00           O  
HETATM   11  O   UNL     1       8.344  -2.621   0.098  1.00  0.00           O  
HETATM   12  O   UNL     1       6.302  -0.971  -0.045  1.00  0.00           O  
HETATM   13  C   UNL     1       5.583   0.223  -0.362  1.00  0.00           C  
HETATM   14  C   UNL     1       4.095   0.014  -0.072  1.00  0.00           C  
HETATM   15  O   UNL     1       3.906  -0.180   1.331  1.00  0.00           O  
HETATM   16  C   UNL     1       3.309   1.245  -0.527  1.00  0.00           C  
HETATM   17  O   UNL     1       3.498   1.440  -1.930  1.00  0.00           O  
HETATM   18  C   UNL     1       1.822   1.037  -0.236  1.00  0.00           C  
HETATM   19  O   UNL     1       1.633   0.843   1.167  1.00  0.00           O  
HETATM   20  C   UNL     1       1.036   2.269  -0.691  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.389   2.069  -0.413  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.221   1.484  -1.383  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.179   0.556  -5.032  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.721  -0.283  -4.371  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.493   1.029  -1.020  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.764   0.106  -1.540  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.761   0.970  -2.342  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.065  -1.367  -1.840  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.084   0.356  -0.068  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.879   0.214   0.845  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.829   1.097   0.342  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.141   1.993   1.188  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.234   3.329   1.622  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.688   2.452   2.393  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.849   2.232   2.694  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.041   4.281   3.612  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.377  -1.204   0.914  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.368  -1.517   0.329  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.136  -2.234   1.711  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.430  -3.562   1.616  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.748  -4.444   0.600  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.100  -5.662   0.514  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.134  -5.998   1.443  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.815  -5.117   2.459  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.460  -3.897   2.543  1.00  0.00           C  
HETATM   46  H   UNL     1       0.180   1.667  -3.011  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.264   3.408   4.114  1.00  0.00           H  
HETATM   48  H   UNL     1       8.446  -0.259   1.712  1.00  0.00           H  
HETATM   49  H   UNL     1       9.294  -2.778   0.008  1.00  0.00           H  
HETATM   50  H   UNL     1       5.960   1.046   0.245  1.00  0.00           H  
HETATM   51  H   UNL     1       5.718   0.459  -1.418  1.00  0.00           H  
HETATM   52  H   UNL     1       3.739  -0.864  -0.611  1.00  0.00           H  
HETATM   53  H   UNL     1       4.201   0.564   1.875  1.00  0.00           H  
HETATM   54  H   UNL     1       3.665   2.123   0.013  1.00  0.00           H  
HETATM   55  H   UNL     1       3.203   0.696  -2.473  1.00  0.00           H  
HETATM   56  H   UNL     1       1.466   0.159  -0.776  1.00  0.00           H  
HETATM   57  H   UNL     1       1.928   1.587   1.710  1.00  0.00           H  
HETATM   58  H   UNL     1       1.392   3.146  -0.152  1.00  0.00           H  
HETATM   59  H   UNL     1       1.180   2.417  -1.762  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.796  -0.457  -5.156  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.018   0.713  -5.709  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.389   1.273  -5.258  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.449  -1.332  -4.486  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.782  -0.206  -4.137  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.514   0.250  -5.299  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.731   0.679  -3.392  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.767   0.820  -1.951  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.488   2.021  -2.249  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.949  -1.552  -2.908  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.372  -2.000  -1.285  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.087  -1.597  -1.541  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.501   1.368   0.034  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.865  -0.349   0.247  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.161   0.515   1.863  1.00  0.00           H  
HETATM   75  H   UNL     1       0.588   3.760   1.343  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.185  -1.922   2.754  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.146  -2.331   1.312  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.503  -4.181  -0.126  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.349  -6.351  -0.280  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.628  -6.950   1.376  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.061  -5.380   3.186  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.208  -3.206   3.334  1.00  0.00           H  
CONECT    1    2   22   22   46                                       
CONECT    2   23    3    3    1                                       
CONECT    3   24    2    2    5                                       
CONECT    4   21   32   32   33                                       
CONECT    5    3   26   25   25                                       
CONECT    6   34    7   47                                            
CONECT    7   33    6   36   36                                       
CONECT    8    9   48                                                 
CONECT    9   12   10   10   11                                       
CONECT    9    8                                                      
CONECT   10    9    9                                                 
CONECT   11    9   49                                                 
CONECT   12   13    9                                                 
CONECT   13   14   12   50   51                                       
CONECT   14   16   15   13   52                                       
CONECT   15   14   53                                                 
CONECT   16   18   14   17   54                                       
CONECT   17   16   55                                                 
CONECT   18   19   20   16   56                                       
CONECT   19   18   57                                                 
CONECT   20   21   18   58   59                                       
CONECT   21   22   20    4                                            
CONECT   22    1    1   25   21                                       
CONECT   23    2   60   61   62                                       
CONECT   24    3   63   64   65                                       
CONECT   25    5    5   22   31                                       
CONECT   26   28   27    5   29                                       
CONECT   27   26   66   67   68                                       
CONECT   28   26   69   70   71                                       
CONECT   29   26   30   72   73                                       
CONECT   30   29   31   37   74                                       
CONECT   31   25   30   32                                            
CONECT   32   31    4    4   34                                       
CONECT   33    4    7   75                                            
CONECT   34   32   35   35    6                                       
CONECT   35   34   34                                                 
CONECT   36    7    7                                                 
CONECT   37   30   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   76   77                                       
CONECT   40   39   45   45   41                                       
CONECT   41   40   42   42   78                                       
CONECT   42   41   41   43   79                                       
CONECT   43   44   44   42   80                                       
CONECT   44   45   43   43   81                                       
CONECT   45   40   40   44   82                                       
CONECT   46    1                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   33                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
