COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0       3.385   1.274   2.424  1.00  0.00           O  
HETATM    2  C   UNK A   0       3.652   0.558   1.479  1.00  0.00           C  
HETATM    3  N   UNK A   0       2.697  -0.220   0.932  1.00  0.00           N  
HETATM    4  C   UNK A   0       1.337  -0.202   1.476  1.00  0.00           C  
HETATM    5  C   UNK A   0       0.456  -1.167   0.680  1.00  0.00           C  
HETATM    6  C   UNK A   0      -0.964  -1.149   1.248  1.00  0.00           C  
HETATM    7  C   UNK A   0      -1.832  -2.099   0.464  1.00  0.00           C  
HETATM    8  O   UNK A   0      -1.360  -2.730  -0.459  1.00  0.00           O  
HETATM    9  N   UNK A   1      -3.131  -2.249   0.788  1.00  0.00           N  
HETATM   10  C   UNK A   1      -3.974  -3.173   0.025  1.00  0.00           C  
HETATM   11  C   UNK A   1      -5.437  -2.736   0.132  1.00  0.00           C  
HETATM   12  N   UNK A   1      -5.562  -1.341  -0.298  1.00  0.00           N  
HETATM   13  C   UNK A   1      -6.767  -0.738  -0.288  1.00  0.00           C  
HETATM   14  O   UNK A   1      -7.751  -1.352   0.078  1.00  0.00           O  
HETATM   15  N   UNK A   1      -6.883   0.545  -0.683  1.00  0.00           N  
HETATM   16  C   UNK A   1      -8.193   1.200  -0.673  1.00  0.00           C  
HETATM   17  C   UNK A   1      -8.006   2.713  -0.545  1.00  0.00           C  
HETATM   18  C   UNK A   1      -7.380   3.036   0.814  1.00  0.00           C  
HETATM   19  C   UNK A   1      -7.196   4.527   0.940  1.00  0.00           C  
HETATM   20  O   UNK A   1      -6.660   5.045   2.056  1.00  0.00           O  
HETATM   21  O   UNK A   1      -7.530   5.255   0.036  1.00  0.00           O  
HETATM   22  C   UNK A   1      -8.920   0.890  -1.956  1.00  0.00           C  
HETATM   23  O   UNK A   1     -10.148   1.388  -2.168  1.00  0.00           O  
HETATM   24  O   UNK A   1      -8.397   0.194  -2.794  1.00  0.00           O  
HETATM   25  C   UNK A   1      -3.824  -4.566   0.582  1.00  0.00           C  
HETATM   26  O   UNK A   1      -3.089  -4.765   1.519  1.00  0.00           O  
HETATM   27  O   UNK A   1      -4.508  -5.584   0.036  1.00  0.00           O  
HETATM   28  C   UNK A   0       5.023   0.545   0.926  1.00  0.00           C  
HETATM   29  C   UNK A   0       5.331  -0.273  -0.162  1.00  0.00           C  
HETATM   30  C   UNK A   0       6.612  -0.280  -0.674  1.00  0.00           C  
HETATM   31  C   UNK A   0       7.591   0.520  -0.109  1.00  0.00           C  
HETATM   32  I   UNK A   0       9.534   0.501  -0.893  1.00  0.00           I  
HETATM   33  C   UNK A   0       7.291   1.332   0.970  1.00  0.00           C  
HETATM   34  C   UNK A   0       6.012   1.353   1.487  1.00  0.00           C  
HETATM   35  H   UNK A   0       2.910  -0.791   0.178  1.00  0.00           H  
HETATM   36  H   UNK A   0       1.360  -0.510   2.522  1.00  0.00           H  
HETATM   37  H   UNK A   0       0.929   0.806   1.403  1.00  0.00           H  
HETATM   38  H   UNK A   0       0.433  -0.860  -0.366  1.00  0.00           H  
HETATM   39  H   UNK A   0       0.864  -2.175   0.753  1.00  0.00           H  
HETATM   40  H   UNK A   0      -0.941  -1.456   2.293  1.00  0.00           H  
HETATM   41  H   UNK A   0      -1.372  -0.140   1.175  1.00  0.00           H  
HETATM   42  H   UNK A   1      -3.508  -1.745   1.525  1.00  0.00           H  
HETATM   43  H   UNK A   1      -3.668  -3.165  -1.021  1.00  0.00           H  
HETATM   44  H   UNK A   1      -6.053  -3.369  -0.506  1.00  0.00           H  
HETATM   45  H   UNK A   1      -5.769  -2.829   1.166  1.00  0.00           H  
HETATM   46  H   UNK A   1      -4.777  -0.851  -0.590  1.00  0.00           H  
HETATM   47  H   UNK A   1      -6.098   1.035  -0.975  1.00  0.00           H  
HETATM   48  H   UNK A   1      -8.776   0.833   0.172  1.00  0.00           H  
HETATM   49  H   UNK A   1      -7.350   3.066  -1.340  1.00  0.00           H  
HETATM   50  H   UNK A   1      -8.974   3.207  -0.626  1.00  0.00           H  
HETATM   51  H   UNK A   1      -8.036   2.683   1.609  1.00  0.00           H  
HETATM   52  H   UNK A   1      -6.412   2.543   0.895  1.00  0.00           H  
HETATM   53  H   UNK A   1      -6.562   6.006   2.091  1.00  0.00           H  
HETATM   54  H   UNK A   1     -10.575   1.162  -3.006  1.00  0.00           H  
HETATM   55  H   UNK A   1      -4.379  -6.459   0.427  1.00  0.00           H  
HETATM   56  H   UNK A   0       4.569  -0.897  -0.604  1.00  0.00           H  
HETATM   57  H   UNK A   0       6.852  -0.913  -1.516  1.00  0.00           H  
HETATM   58  H   UNK A   0       8.059   1.955   1.406  1.00  0.00           H  
HETATM   59  H   UNK A   0       5.779   1.991   2.327  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   28                                       
CONECT    3    4    2   35                                            
CONECT    4    5    3   36   37                                       
CONECT    5    6    4   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    6    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   42                                            
CONECT   10    9   11   25   43                                       
CONECT   11   12   10   44   45                                       
CONECT   12   13   11   46                                            
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   47                                            
CONECT   16   22   17   15   48                                       
CONECT   17   18   16   49   50                                       
CONECT   18   19   17   51   52                                       
CONECT   19   21   21   20   18                                       
CONECT   20   19   53                                                 
CONECT   21   19   19                                                 
CONECT   22   24   24   23   16                                       
CONECT   23   22   54                                                 
CONECT   24   22   22                                                 
CONECT   25   26   26   10   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   55                                                 
CONECT   28    2   34   34   29                                       
CONECT   29   28   30   30   56                                       
CONECT   30   29   29   31   57                                       
CONECT   31   33   33   30   32                                       
CONECT   32   31                                                      
CONECT   33   34   31   31   58                                       
CONECT   34   28   28   33   59                                       
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
