COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.351  -2.433  -1.106  1.00  0.00           C  
HETATM    2  C   UNL     1       3.133  -2.866  -1.924  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.033  -0.924  -0.527  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.197  -1.667  -1.237  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.510  -0.630  -0.659  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.243  -0.797  -0.351  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.534   0.187   0.214  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.145   1.417   0.484  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.208   2.217   1.049  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.085   1.567   1.139  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.237   0.308   0.636  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.203  -0.725   0.560  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.187  -0.481   1.537  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.913  -0.865   1.002  1.00  0.00           C  
HETATM   15  C   UNL     1       0.144   0.159   1.416  1.00  0.00           C  
HETATM   16  O   UNL     1       1.132  -0.465   2.237  1.00  0.00           O  
HETATM   17  P   UNL     1       2.504   0.259   2.677  1.00  0.00           P  
HETATM   18  O   UNL     1       2.355   1.724   2.519  1.00  0.00           O  
HETATM   19  O   UNL     1       2.822  -0.081   4.217  1.00  0.00           O  
HETATM   20  O   UNL     1       3.711  -0.258   1.745  1.00  0.00           O  
HETATM   21  C   UNL     1       3.516  -0.779   0.437  1.00  0.00           C  
HETATM   22  C   UNL     1       3.931  -2.270   0.371  1.00  0.00           C  
HETATM   23  O   UNL     1       5.044  -2.513   1.230  1.00  0.00           O  
HETATM   24  O   UNL     1       1.962  -2.192  -1.456  1.00  0.00           O  
HETATM   25  P   UNL     1       0.753  -2.937  -0.702  1.00  0.00           P  
HETATM   26  O   UNL     1       0.999  -2.931   0.759  1.00  0.00           O  
HETATM   27  O   UNL     1       0.668  -4.466  -1.209  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.637  -2.201  -1.021  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.532  -0.691  -0.822  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.036  -1.749  -1.643  1.00  0.00           O  
HETATM   31  O   UNL     1       4.801  -1.147  -1.541  1.00  0.00           O  
HETATM   32  C   UNL     1       4.465  -0.130  -0.592  1.00  0.00           C  
HETATM   33  N   UNL     1       3.789   0.973  -1.270  1.00  0.00           N  
HETATM   34  C   UNL     1       3.106   0.899  -2.448  1.00  0.00           C  
HETATM   35  N   UNL     1       2.630   2.069  -2.761  1.00  0.00           N  
HETATM   36  C   UNL     1       2.975   2.966  -1.806  1.00  0.00           C  
HETATM   37  C   UNL     1       2.749   4.339  -1.613  1.00  0.00           C  
HETATM   38  N   UNL     1       2.020   5.073  -2.532  1.00  0.00           N  
HETATM   39  N   UNL     1       3.251   4.917  -0.526  1.00  0.00           N  
HETATM   40  C   UNL     1       3.948   4.224   0.356  1.00  0.00           C  
HETATM   41  N   UNL     1       4.185   2.937   0.216  1.00  0.00           N  
HETATM   42  C   UNL     1       3.718   2.273  -0.836  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.509   1.582   0.148  1.00  0.00           C  
HETATM   44  O   UNL     1      -8.083   2.636   0.366  1.00  0.00           O  
HETATM   45  N   UNL     1      -8.159   0.546  -0.426  1.00  0.00           N  
HETATM   46  H   UNL     1       5.147  -3.164  -1.188  1.00  0.00           H  
HETATM   47  H   UNL     1       3.297  -2.614  -2.973  1.00  0.00           H  
HETATM   48  H   UNL     1       3.004  -3.945  -1.836  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.444  -0.130  -0.991  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.132  -1.558  -1.474  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.749  -2.510  -1.409  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.169   1.965   1.550  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.644  -1.708   0.730  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.651  -1.850   1.394  1.00  0.00           H  
HETATM   55  H   UNL     1       0.625   0.572   0.530  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.337   0.971   1.965  1.00  0.00           H  
HETATM   57  H   UNL     1       2.136   0.209   4.834  1.00  0.00           H  
HETATM   58  H   UNL     1       2.484  -0.664   0.112  1.00  0.00           H  
HETATM   59  H   UNL     1       3.103  -2.922   0.610  1.00  0.00           H  
HETATM   60  H   UNL     1       5.407  -3.406   1.160  1.00  0.00           H  
HETATM   61  H   UNL     1       1.470  -4.980  -1.043  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.684   0.273  -1.304  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.973  -1.662  -1.864  1.00  0.00           H  
HETATM   64  H   UNL     1       5.364   0.221  -0.093  1.00  0.00           H  
HETATM   65  H   UNL     1       2.980   0.001  -3.036  1.00  0.00           H  
HETATM   66  H   UNL     1       1.658   4.641  -3.321  1.00  0.00           H  
HETATM   67  H   UNL     1       1.870   6.021  -2.387  1.00  0.00           H  
HETATM   68  H   UNL     1       4.338   4.733   1.225  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.094   0.637  -0.669  1.00  0.00           H  
CONECT    1    2   31   22   46                                       
CONECT    2   24    1   47   48                                       
CONECT    3   28   29   14   49                                       
CONECT    4    5   50   51                                            
CONECT    5    4   45    6    6                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8    8   11                                       
CONECT    8   43    7    7    9                                       
CONECT    9    8   10   10                                            
CONECT   10   11    9    9   52                                       
CONECT   11    7   12   10                                            
CONECT   12   29   11   13   53                                       
CONECT   13   14   12                                                 
CONECT   14    3   15   13   54                                       
CONECT   15   14   16   55   56                                       
CONECT   16   15   17                                                 
CONECT   17   20   16   18   18                                       
CONECT   17   19                                                      
CONECT   18   17   17                                                 
CONECT   19   17   57                                                 
CONECT   20   21   17                                                 
CONECT   21   32   22   20   58                                       
CONECT   22    1   23   21   59                                       
CONECT   23   22   60                                                 
CONECT   24    2   25                                                 
CONECT   25   26   26   27   24                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25   61                                                 
CONECT   28   25    3                                                 
CONECT   29   30    3   12   62                                       
CONECT   30   29   63                                                 
CONECT   31    1   32                                                 
CONECT   32   31   33   21   64                                       
CONECT   33   34   32   42                                            
CONECT   34   35   35   33   65                                       
CONECT   35   34   34   36                                            
CONECT   36   35   37   37   42                                       
CONECT   37   38   36   36   39                                       
CONECT   38   37   66   67                                            
CONECT   39   37   40   40                                            
CONECT   40   39   39   41   68                                       
CONECT   41   42   42   40                                            
CONECT   42   36   33   41   41                                       
CONECT   43   45   44   44    8                                       
CONECT   44   43   43                                                 
CONECT   45    5   43   69                                            
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   40                                                      
CONECT   69   45                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
