COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.024  -5.772   0.444  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.238  -4.842   0.450  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.497  -3.683  -0.319  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.609  -2.666  -0.294  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.116  -4.906   1.195  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.247  -3.877   1.202  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.240  -3.948   1.878  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.479  -2.772   0.471  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.515  -1.669   0.498  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.865  -1.477  -0.895  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.731  -2.333  -1.051  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.187  -0.412   0.732  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.316   0.625   0.252  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.144   1.774  -0.326  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.883   2.403   0.723  1.00  0.00           O  
HETATM   16  P   UNL     1      -6.865   3.655   0.475  1.00  0.00           P  
HETATM   17  O   UNL     1      -8.098   3.194  -0.453  1.00  0.00           O  
HETATM   18  O   UNL     1      -7.426   4.186   1.887  1.00  0.00           O  
HETATM   19  O   UNL     1      -6.120   4.741  -0.200  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.433   0.009  -0.850  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.051   0.118  -0.504  1.00  0.00           O  
HETATM   22  P   UNL     1      -0.965   0.839  -1.449  1.00  0.00           P  
HETATM   23  O   UNL     1      -0.810   0.007  -2.819  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.413   2.215  -1.756  1.00  0.00           O  
HETATM   25  O   UNL     1       0.455   0.892  -0.691  1.00  0.00           O  
HETATM   26  C   UNL     1       1.597   1.564  -1.225  1.00  0.00           C  
HETATM   27  C   UNL     1       2.772   1.421  -0.256  1.00  0.00           C  
HETATM   28  C   UNL     1       4.022   2.149  -0.803  1.00  0.00           C  
HETATM   29  P   UNL     1       5.244   3.672   0.646  1.00  0.00           P  
HETATM   30  O   UNL     1       6.439   4.217  -0.034  1.00  0.00           O  
HETATM   31  O   UNL     1       4.833   4.591   1.903  1.00  0.00           O  
HETATM   32  O   UNL     1       5.491   2.126   1.112  1.00  0.00           O  
HETATM   33  O   UNL     1       4.001   3.522  -0.395  1.00  0.00           O  
HETATM   34  C   UNL     1       5.179   1.398  -0.100  1.00  0.00           C  
HETATM   35  O   UNL     1       3.197   0.043  -0.170  1.00  0.00           O  
HETATM   36  C   UNL     1       4.551   0.049   0.310  1.00  0.00           C  
HETATM   37  N   UNL     1       5.300  -1.054  -0.297  1.00  0.00           N  
HETATM   38  C   UNL     1       4.998  -1.686  -1.469  1.00  0.00           C  
HETATM   39  N   UNL     1       5.875  -2.617  -1.706  1.00  0.00           N  
HETATM   40  C   UNL     1       6.434  -1.635   0.203  1.00  0.00           C  
HETATM   41  C   UNL     1       6.789  -2.638  -0.706  1.00  0.00           C  
HETATM   42  N   UNL     1       7.179  -1.437   1.297  1.00  0.00           N  
HETATM   43  C   UNL     1       8.247  -2.165   1.532  1.00  0.00           C  
HETATM   44  N   UNL     1       8.980  -1.926   2.667  1.00  0.00           N  
HETATM   45  N   UNL     1       8.649  -3.150   0.680  1.00  0.00           N  
HETATM   46  C   UNL     1       7.941  -3.415  -0.440  1.00  0.00           C  
HETATM   47  O   UNL     1       8.292  -4.295  -1.208  1.00  0.00           O  
HETATM   48  H   UNL     1      -8.392  -3.612  -0.919  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.789  -1.773  -0.875  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.933  -5.695   1.728  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.753  -1.846   1.257  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.591  -1.648  -1.690  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.939  -3.276  -0.995  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.692   0.992   1.067  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.480   2.503  -0.790  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.834   1.384  -1.074  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.632   2.483  -0.073  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.026   4.941   1.814  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.625   0.491  -1.809  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.518  -0.906  -2.694  1.00  0.00           H  
HETATM   61  H   UNL     1       1.863   1.121  -2.185  1.00  0.00           H  
HETATM   62  H   UNL     1       1.367   2.620  -1.364  1.00  0.00           H  
HETATM   63  H   UNL     1       2.504   1.801   0.730  1.00  0.00           H  
HETATM   64  H   UNL     1       4.086   2.063  -1.888  1.00  0.00           H  
HETATM   65  H   UNL     1       5.540   4.711   2.551  1.00  0.00           H  
HETATM   66  H   UNL     1       6.049   1.279  -0.746  1.00  0.00           H  
HETATM   67  H   UNL     1       4.560  -0.049   1.396  1.00  0.00           H  
HETATM   68  H   UNL     1       4.157  -1.449  -2.103  1.00  0.00           H  
HETATM   69  H   UNL     1       8.706  -1.228   3.283  1.00  0.00           H  
HETATM   70  H   UNL     1       9.771  -2.455   2.854  1.00  0.00           H  
HETATM   71  H   UNL     1       9.443  -3.669   0.883  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    1    1    3                                       
CONECT    3    2    4    4   48                                       
CONECT    4    8    3    3   49                                       
CONECT    5    6    2   50                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    4                                            
CONECT    9    8   10   12   51                                       
CONECT   10   11    9   20   52                                       
CONECT   11   10   53                                                 
CONECT   12    9   13                                                 
CONECT   13   12   20   14   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   14   16                                                 
CONECT   16   19   19   15   17                                       
CONECT   16   18                                                      
CONECT   17   16   57                                                 
CONECT   18   16   58                                                 
CONECT   19   16   16                                                 
CONECT   20   10   21   13   59                                       
CONECT   21   20   22                                                 
CONECT   22   24   24   21   23                                       
CONECT   22   25                                                      
CONECT   23   22   60                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   61   62                                       
CONECT   27   28   26   35   63                                       
CONECT   28   34   33   27   64                                       
CONECT   29   30   30   32   33                                       
CONECT   29   31                                                      
CONECT   30   29   29                                                 
CONECT   31   29   65                                                 
CONECT   32   34   29                                                 
CONECT   33   29   28                                                 
CONECT   34   32   28   36   66                                       
CONECT   35   36   27                                                 
CONECT   36   34   37   35   67                                       
CONECT   37   40   38   36                                            
CONECT   38   39   39   37   68                                       
CONECT   39   41   38   38                                            
CONECT   40   42   41   41   37                                       
CONECT   41   46   40   40   39                                       
CONECT   42   43   43   40                                            
CONECT   43   44   45   42   42                                       
CONECT   44   43   69   70                                            
CONECT   45   43   46   71                                            
CONECT   46   45   47   47   41                                       
CONECT   47   46   46                                                 
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   38                                                      
CONECT   69   44                                                      
CONECT   70   44                                                      
CONECT   71   45                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
