COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.563  -0.713  -0.833  1.00  0.00           C  
HETATM    2  C   UNL     1       5.581  -1.671  -0.209  1.00  0.00           C  
HETATM    3  O   UNL     1       5.320  -3.003  -0.658  1.00  0.00           O  
HETATM    4  C   UNL     1       5.458  -1.613   1.317  1.00  0.00           C  
HETATM    5  O   UNL     1       4.160  -2.062   1.710  1.00  0.00           O  
HETATM    6  C   UNL     1       5.663  -0.167   1.780  1.00  0.00           C  
HETATM    7  O   UNL     1       6.985   0.259   1.445  1.00  0.00           O  
HETATM    8  C   UNL     1       4.641   0.733   1.080  1.00  0.00           C  
HETATM    9  O   UNL     1       4.789   0.608  -0.336  1.00  0.00           O  
HETATM   10  C   UNL     1       4.877   2.188   1.491  1.00  0.00           C  
HETATM   11  O   UNL     1       3.853   3.013   0.930  1.00  0.00           O  
HETATM   12  O   UNL     1       3.242  -1.133  -0.488  1.00  0.00           O  
HETATM   13  C   UNL     1       2.210  -0.445  -1.198  1.00  0.00           C  
HETATM   14  C   UNL     1       2.446  -0.564  -2.705  1.00  0.00           C  
HETATM   15  O   UNL     1       3.621   0.167  -3.062  1.00  0.00           O  
HETATM   16  C   UNL     1       0.836  -1.042  -0.834  1.00  0.00           C  
HETATM   17  O   UNL     1       0.981  -2.065   0.153  1.00  0.00           O  
HETATM   18  O   UNL     1       2.192   0.940  -0.814  1.00  0.00           O  
HETATM   19  C   UNL     1       0.814   1.370  -0.849  1.00  0.00           C  
HETATM   20  C   UNL     1       0.612   2.611   0.023  1.00  0.00           C  
HETATM   21  O   UNL     1       1.234   3.736  -0.600  1.00  0.00           O  
HETATM   22  C   UNL     1       0.041   0.156  -0.260  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.311   0.141  -0.721  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.473  -0.919   1.254  1.00  0.00           O  
HETATM   25  P   UNL     1      -2.577   0.185   0.273  1.00  0.00           P  
HETATM   26  O   UNL     1      -2.599   1.593   1.052  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.111   1.066  -0.455  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.224  -0.085   0.028  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.867  -1.418  -0.367  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.279  -1.485   0.223  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.087  -0.282  -0.268  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.547   2.311  -0.041  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.934   0.021  -0.577  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.083  -2.497   0.145  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.202  -1.458   1.650  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.418   0.924   0.105  1.00  0.00           O  
HETATM   37  H   UNL     1       4.675  -0.717  -1.917  1.00  0.00           H  
HETATM   38  H   UNL     1       6.588  -1.378  -0.505  1.00  0.00           H  
HETATM   39  H   UNL     1       5.378  -3.112  -1.617  1.00  0.00           H  
HETATM   40  H   UNL     1       6.217  -2.253   1.768  1.00  0.00           H  
HETATM   41  H   UNL     1       3.960  -2.970   1.443  1.00  0.00           H  
HETATM   42  H   UNL     1       5.523  -0.107   2.859  1.00  0.00           H  
HETATM   43  H   UNL     1       7.684  -0.272   1.852  1.00  0.00           H  
HETATM   44  H   UNL     1       3.634   0.432   1.369  1.00  0.00           H  
HETATM   45  H   UNL     1       4.852   2.267   2.578  1.00  0.00           H  
HETATM   46  H   UNL     1       5.849   2.516   1.125  1.00  0.00           H  
HETATM   47  H   UNL     1       3.940   3.951   1.151  1.00  0.00           H  
HETATM   48  H   UNL     1       2.577  -1.613  -2.970  1.00  0.00           H  
HETATM   49  H   UNL     1       1.588  -0.158  -3.241  1.00  0.00           H  
HETATM   50  H   UNL     1       3.832   0.135  -4.005  1.00  0.00           H  
HETATM   51  H   UNL     1       0.345  -1.438  -1.723  1.00  0.00           H  
HETATM   52  H   UNL     1       0.147  -2.476   0.419  1.00  0.00           H  
HETATM   53  H   UNL     1       0.499   1.564  -1.874  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.454   2.803   0.140  1.00  0.00           H  
HETATM   55  H   UNL     1       1.061   2.443   1.002  1.00  0.00           H  
HETATM   56  H   UNL     1       1.146   4.560  -0.101  1.00  0.00           H  
HETATM   57  H   UNL     1       0.080   0.162   0.829  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.666   2.363   0.471  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.177   1.040  -1.543  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.123  -0.036   1.112  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.921  -1.489  -1.453  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.764  -2.407  -0.098  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.180  -0.326  -1.354  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.080  -0.301   0.182  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.059   3.085  -0.313  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.433  -3.373  -0.068  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.062  -1.498   2.091  1.00  0.00           H  
CONECT    1    9   12    2   37                                       
CONECT    2    1    4    3   38                                       
CONECT    3    2   39                                                 
CONECT    4    6    2    5   40                                       
CONECT    5    4   41                                                 
CONECT    6    8    7    4   42                                       
CONECT    7    6   43                                                 
CONECT    8   10    9    6   44                                       
CONECT    9    8    1                                                 
CONECT   10   11    8   45   46                                       
CONECT   11   10   47                                                 
CONECT   12   13    1                                                 
CONECT   13   18   16   12   14                                       
CONECT   14   13   15   48   49                                       
CONECT   15   14   50                                                 
CONECT   16   22   17   13   51                                       
CONECT   17   16   52                                                 
CONECT   18   19   13                                                 
CONECT   19   20   22   18   53                                       
CONECT   20   21   19   54   55                                       
CONECT   21   20   56                                                 
CONECT   22   23   19   16   57                                       
CONECT   23   25   22                                                 
CONECT   24   25   25                                                 
CONECT   25   33   24   24   26                                       
CONECT   25   23                                                      
CONECT   26   25   58                                                 
CONECT   27   36   32   28   59                                       
CONECT   28   27   29   33   60                                       
CONECT   29   30   28   34   61                                       
CONECT   30   31   35   29   62                                       
CONECT   31   36   30   63   64                                       
CONECT   32   27   65                                                 
CONECT   33   28   25                                                 
CONECT   34   29   66                                                 
CONECT   35   30   67                                                 
CONECT   36   31   27                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
