COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.279  -1.304   0.662  1.00  0.00           C  
HETATM    2  C   UNL     1       2.535  -2.673   0.685  1.00  0.00           C  
HETATM    3  O   UNL     1       3.281  -0.420   0.914  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.501  -2.252  -0.466  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.341  -1.658  -1.605  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.779  -0.275  -1.206  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.367  -2.327   0.797  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.708  -2.921   0.500  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.518  -2.558  -1.930  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.218  -3.015  -0.686  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.327   1.805  -0.007  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.395   2.885  -0.595  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.226   1.852   1.494  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.988   4.213  -0.551  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.317   2.734   2.131  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.558   4.042   1.353  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.277   4.681   0.891  1.00  0.00           C  
HETATM   18  C   UNL     1       2.948   0.969   0.869  1.00  0.00           C  
HETATM   19  C   UNL     1       4.194   1.803   1.176  1.00  0.00           C  
HETATM   20  C   UNL     1       1.007  -0.843   0.378  1.00  0.00           C  
HETATM   21  C   UNL     1       1.517  -3.577   0.422  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.021  -1.754   0.119  1.00  0.00           C  
HETATM   23  C   UNL     1       0.245  -3.126   0.138  1.00  0.00           C  
HETATM   24  O   UNL     1       3.787  -3.124   0.965  1.00  0.00           O  
HETATM   25  C   UNL     1       3.980  -4.539   0.971  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.379  -1.269  -0.184  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.630   0.003  -0.214  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.917   0.485  -0.490  1.00  0.00           N  
HETATM   29  O   UNL     1      -4.873   0.147  -1.518  1.00  0.00           O  
HETATM   30  N   UNL     1       5.186   1.607   0.116  1.00  0.00           N  
HETATM   31  C   UNL     1       6.227   0.567   0.105  1.00  0.00           C  
HETATM   32  C   UNL     1       5.286   2.342  -0.999  1.00  0.00           C  
HETATM   33  C   UNL     1       6.979   0.813  -1.218  1.00  0.00           C  
HETATM   34  N   UNL     1       6.280   1.962  -1.813  1.00  0.00           N  
HETATM   35  O   UNL     1       4.543   3.271  -1.249  1.00  0.00           O  
HETATM   36  H   UNL     1      -2.105  -3.230  -0.742  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.718  -1.584  -2.496  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.861  -2.942   1.541  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.503  -1.322   1.196  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.289  -3.295   1.329  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.224  -2.011  -2.555  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.160  -3.430  -2.477  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.202  -3.448  -0.784  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.355   2.004  -0.311  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.465   2.895  -0.027  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.173   2.633  -1.632  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.318   0.839   1.885  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.248   2.247   1.769  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.305   4.920  -1.021  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.924   4.201  -1.110  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.249   2.169   2.166  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.019   2.980   3.150  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.179   3.826   0.484  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.089   4.742   1.998  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.459   4.377   1.544  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.381   5.766   0.910  1.00  0.00           H  
HETATM   57  H   UNL     1       2.578   1.222  -0.125  1.00  0.00           H  
HETATM   58  H   UNL     1       2.177   1.182   1.609  1.00  0.00           H  
HETATM   59  H   UNL     1       3.922   2.857   1.229  1.00  0.00           H  
HETATM   60  H   UNL     1       4.615   1.488   2.131  1.00  0.00           H  
HETATM   61  H   UNL     1       0.808   0.218   0.356  1.00  0.00           H  
HETATM   62  H   UNL     1       1.721  -4.638   0.436  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.546  -3.832  -0.067  1.00  0.00           H  
HETATM   64  H   UNL     1       5.020  -4.763   1.208  1.00  0.00           H  
HETATM   65  H   UNL     1       3.332  -4.991   1.722  1.00  0.00           H  
HETATM   66  H   UNL     1       3.736  -4.944  -0.011  1.00  0.00           H  
HETATM   67  H   UNL     1       6.898   0.688   0.955  1.00  0.00           H  
HETATM   68  H   UNL     1       5.776  -0.425   0.110  1.00  0.00           H  
HETATM   69  H   UNL     1       8.024   1.056  -1.024  1.00  0.00           H  
HETATM   70  H   UNL     1       6.904  -0.059  -1.868  1.00  0.00           H  
HETATM   71  H   UNL     1       6.501   2.376  -2.661  1.00  0.00           H  
CONECT    1    2    2   20    3                                       
CONECT    2   21   24    1    1                                       
CONECT    3    1   18                                                 
CONECT    4    7   26    5   36                                       
CONECT    5    4    9    6   37                                       
CONECT    6    5   29   29   28                                       
CONECT    7    8    4   38   39                                       
CONECT    8    7   10   10   40                                       
CONECT    9   10    5   41   42                                       
CONECT   10    8    8    9   43                                       
CONECT   11   13   28   12   44                                       
CONECT   12   11   14   45   46                                       
CONECT   13   15   11   47   48                                       
CONECT   14   17   12   49   50                                       
CONECT   15   13   16   51   52                                       
CONECT   16   15   17   53   54                                       
CONECT   17   16   14   55   56                                       
CONECT   18    3   19   57   58                                       
CONECT   19   18   30   59   60                                       
CONECT   20   22   22    1   61                                       
CONECT   21   23   23    2   62                                       
CONECT   22   23   26   20   20                                       
CONECT   23   21   21   22   63                                       
CONECT   24   25    2                                                 
CONECT   25   24   64   65   66                                       
CONECT   26    4   22   27   27                                       
CONECT   27   26   26   28                                            
CONECT   28    6   27   11                                            
CONECT   29    6    6                                                 
CONECT   30   19   32   31                                            
CONECT   31   30   33   67   68                                       
CONECT   32   35   35   30   34                                       
CONECT   33   31   34   69   70                                       
CONECT   34   32   33   71                                            
CONECT   35   32   32                                                 
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
