COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.799  -1.618   0.481  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.696  -2.318   1.465  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.143  -1.430  -0.173  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.216  -1.821   0.749  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.281  -2.369  -1.392  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.780  -2.745  -1.332  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.152  -2.556   0.125  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.149  -3.004   0.651  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.711  -1.003  -0.026  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.405  -1.182   0.613  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.365  -0.395  -0.142  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.683   0.250  -1.118  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.081  -0.409   0.267  1.00  0.00           N  
HETATM   14  C   UNL     1       0.931   0.355  -0.467  1.00  0.00           C  
HETATM   15  C   UNL     1       2.287  -0.263  -0.244  1.00  0.00           C  
HETATM   16  O   UNL     1       2.398  -1.245   0.458  1.00  0.00           O  
HETATM   17  C   UNL     1       0.940   1.801   0.034  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.395   2.467  -0.304  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.385   3.912   0.197  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.664   4.550  -0.127  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.888   5.859   0.228  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.088   6.457  -0.076  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.964   6.533   0.852  1.00  0.00           N  
HETATM   24  N   UNL     1       3.377   0.276  -0.826  1.00  0.00           N  
HETATM   25  C   UNL     1       4.649  -0.238  -0.543  1.00  0.00           C  
HETATM   26  C   UNL     1       5.743   0.614  -0.475  1.00  0.00           C  
HETATM   27  C   UNL     1       6.997   0.108  -0.196  1.00  0.00           C  
HETATM   28  C   UNL     1       7.164  -1.255   0.017  1.00  0.00           C  
HETATM   29  N   UNL     1       8.434  -1.768   0.300  1.00  0.00           N  
HETATM   30  O   UNL     1       8.604  -3.157   0.518  1.00  0.00           O  
HETATM   31  O   UNL     1       9.550  -0.899   0.369  1.00  0.00           O  
HETATM   32  C   UNL     1       6.069  -2.107  -0.050  1.00  0.00           C  
HETATM   33  C   UNL     1       4.815  -1.599  -0.323  1.00  0.00           C  
HETATM   34  H   UNL     1      -6.271  -0.392  -0.481  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.245  -1.580   1.688  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.048  -1.844  -2.318  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.652  -3.252  -1.277  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.366  -2.078  -1.964  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.926  -3.782  -1.634  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.793  -0.444  -0.814  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.453  -0.826   1.643  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.138  -2.238   0.606  1.00  0.00           H  
HETATM   43  H   UNL     1       0.174  -0.926   1.048  1.00  0.00           H  
HETATM   44  H   UNL     1       0.695   0.341  -1.531  1.00  0.00           H  
HETATM   45  H   UNL     1       1.088   1.810   1.114  1.00  0.00           H  
HETATM   46  H   UNL     1       1.751   2.347  -0.448  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.542   2.457  -1.384  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.206   1.921   0.178  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.238   3.922   1.277  1.00  0.00           H  
HETATM   50  H   UNL     1       0.426   4.458  -0.285  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.352   4.048  -0.592  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.776   5.956  -0.541  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.247   7.381   0.174  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.122   7.457   1.102  1.00  0.00           H  
HETATM   55  H   UNL     1       3.280   1.020  -1.441  1.00  0.00           H  
HETATM   56  H   UNL     1       5.614   1.673  -0.641  1.00  0.00           H  
HETATM   57  H   UNL     1       7.848   0.770  -0.145  1.00  0.00           H  
HETATM   58  H   UNL     1       6.199  -3.166   0.116  1.00  0.00           H  
HETATM   59  H   UNL     1       3.963  -2.261  -0.371  1.00  0.00           H  
HETATM   60  H   UNL     1       9.516  -3.417   0.707  1.00  0.00           H  
HETATM   61  H   UNL     1      10.384  -1.345   0.570  1.00  0.00           H  
CONECT    1    3    2    2    9                                       
CONECT    2    1    1                                                 
CONECT    3    4    5    1   34                                       
CONECT    4    7    3   35                                            
CONECT    5    6    3   36   37                                       
CONECT    6    7    5   38   39                                       
CONECT    7    8    8    6    4                                       
CONECT    8    7    7                                                 
CONECT    9    1   10   40                                            
CONECT   10    9   11   41   42                                       
CONECT   11   13   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   43                                            
CONECT   14   13   17   15   44                                       
CONECT   15   14   24   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   14   45   46                                       
CONECT   18   19   17   47   48                                       
CONECT   19   20   18   49   50                                       
CONECT   20   21   19   51                                            
CONECT   21   23   23   20   22                                       
CONECT   22   21   52   53                                            
CONECT   23   21   21   54                                            
CONECT   24   15   25   55                                            
CONECT   25   24   26   26   33                                       
CONECT   26   25   25   27   56                                       
CONECT   27   26   28   28   57                                       
CONECT   28   27   27   32   29                                       
CONECT   29   28   31   30                                            
CONECT   30   29   60                                                 
CONECT   31   29   61                                                 
CONECT   32   33   33   28   58                                       
CONECT   33   25   32   32   59                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
