COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.623  -1.472   0.532  1.00  0.00           N  
HETATM    2  C   UNL     1       5.580  -2.256   0.757  1.00  0.00           C  
HETATM    3  O   UNL     1       5.767  -3.478   1.315  1.00  0.00           O  
HETATM    4  C   UNL     1       4.298  -1.841   0.428  1.00  0.00           C  
HETATM    5  C   UNL     1       3.115  -2.737   0.688  1.00  0.00           C  
HETATM    6  C   UNL     1       4.121  -0.586  -0.143  1.00  0.00           C  
HETATM    7  C   UNL     1       5.247   0.207  -0.363  1.00  0.00           C  
HETATM    8  C   UNL     1       5.108   1.574  -0.980  1.00  0.00           C  
HETATM    9  C   UNL     1       6.489  -0.275  -0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       7.711   0.575  -0.243  1.00  0.00           C  
HETATM   11  C   UNL     1       8.266   0.290  -1.615  1.00  0.00           C  
HETATM   12  O   UNL     1       7.725  -0.520  -2.329  1.00  0.00           O  
HETATM   13  O   UNL     1       9.362   0.937  -2.043  1.00  0.00           O  
HETATM   14  O   UNL     1       2.883  -0.144  -0.479  1.00  0.00           O  
HETATM   15  P   UNL     1       2.132   0.658   0.698  1.00  0.00           P  
HETATM   16  O   UNL     1       2.083  -0.183   1.914  1.00  0.00           O  
HETATM   17  O   UNL     1       2.934   2.017   1.018  1.00  0.00           O  
HETATM   18  O   UNL     1       0.633   1.016   0.232  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.323   1.636   1.095  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.638   1.834   0.339  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.647   2.614   1.211  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.653   3.998   0.853  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.010   1.964   0.882  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.898   2.926   0.311  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.663   0.868  -0.149  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.273   0.560   0.093  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.494  -0.319   0.070  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.152  -1.420   0.801  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.127  -2.281   0.784  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.149  -1.787   0.044  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.756  -0.524  -0.415  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.430  -2.269  -0.314  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.815  -3.361   0.068  1.00  0.00           O  
HETATM   34  N   UNL     1      -8.216  -1.490  -1.089  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.775  -0.271  -1.510  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.592   0.194  -1.175  1.00  0.00           N  
HETATM   37  N   UNL     1      -8.595   0.499  -2.297  1.00  0.00           N  
HETATM   38  H   UNL     1       2.723  -2.541   1.686  1.00  0.00           H  
HETATM   39  H   UNL     1       2.339  -2.538  -0.053  1.00  0.00           H  
HETATM   40  H   UNL     1       3.425  -3.779   0.617  1.00  0.00           H  
HETATM   41  H   UNL     1       4.967   2.316  -0.193  1.00  0.00           H  
HETATM   42  H   UNL     1       6.009   1.811  -1.546  1.00  0.00           H  
HETATM   43  H   UNL     1       4.246   1.586  -1.648  1.00  0.00           H  
HETATM   44  H   UNL     1       7.439   1.628  -0.172  1.00  0.00           H  
HETATM   45  H   UNL     1       8.465   0.343   0.510  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.494   1.000   1.963  1.00  0.00           H  
HETATM   47  H   UNL     1       0.057   2.604   1.423  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.461   2.359  -0.599  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.410   2.496   2.268  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.269   4.535   1.369  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.449   1.524   1.778  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.102   3.669   0.895  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.212  -1.556   1.316  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.098  -1.800  -1.347  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.474   0.173  -2.546  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.295   1.368  -2.605  1.00  0.00           H  
HETATM   57  H   UNL     1       9.681   0.721  -2.930  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.798   1.244  -1.163  1.00  0.00           H  
HETATM   59  H   UNL     1       3.006   2.618   0.264  1.00  0.00           H  
HETATM   60  H   UNL     1       5.729  -3.479   2.282  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   60                                                 
CONECT    4    2    5    6    6                                       
CONECT    5    4   38   39   40                                       
CONECT    6    4    4    7   14                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   41   42   43                                       
CONECT    9    1    7    7   10                                       
CONECT   10    9   11   44   45                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   57                                                 
CONECT   14    6   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   15   18                                                      
CONECT   16   15   15                                                 
CONECT   17   15   59                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   46   47                                       
CONECT   20   19   21   26   48                                       
CONECT   21   20   22   23   49                                       
CONECT   22   21   50                                                 
CONECT   23   21   24   25   51                                       
CONECT   24   23   52                                                 
CONECT   25   23   26   27   58                                       
CONECT   26   20   25                                                 
CONECT   27   25   28   31                                            
CONECT   28   27   29   29   53                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   31   32                                       
CONECT   31   27   30   30   36                                       
CONECT   32   30   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   54                                            
CONECT   35   34   36   36   37                                       
CONECT   36   31   35   35                                            
CONECT   37   35   55   56                                            
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   28                                                      
CONECT   54   34                                                      
CONECT   55   37                                                      
CONECT   56   37                                                      
CONECT   57   13                                                      
CONECT   58   25                                                      
CONECT   59   17                                                      
CONECT   60    3                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
