COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.772   0.884  -0.050  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.338   1.178   0.395  1.00  0.00           C  
HETATM    3  C   UNL     1       0.568   0.009   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.265  -0.396   0.628  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.359  -1.564   0.233  1.00  0.00           C  
HETATM    6  C   UNL     1       0.075  -1.270   0.678  1.00  0.00           C  
HETATM    7  O   UNL     1       2.858  -2.287   2.085  1.00  0.00           O  
HETATM    8  O   UNL     1       2.490  -4.446   0.631  1.00  0.00           O  
HETATM    9  P   UNL     1       1.755  -3.226   1.381  1.00  0.00           P  
HETATM   10  O   UNL     1       0.834  -3.760   2.408  1.00  0.00           O  
HETATM   11  O   UNL     1       0.921  -2.361   0.309  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.392  -1.733  -1.186  1.00  0.00           O  
HETATM   13  P   UNL     1      -1.885  -3.091  -1.896  1.00  0.00           P  
HETATM   14  O   UNL     1      -1.914  -2.883  -3.492  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.871  -4.287  -1.529  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.243  -3.433  -1.418  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.604  -0.669   0.212  1.00  0.00           O  
HETATM   18  P   UNL     1      -4.841  -0.759   1.239  1.00  0.00           P  
HETATM   19  O   UNL     1      -4.913   0.487   2.034  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.210  -0.950   0.415  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.629  -2.014   2.226  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.618   1.975   0.319  1.00  0.00           O  
HETATM   23  P   UNL     1      -3.452   2.839  -0.753  1.00  0.00           P  
HETATM   24  O   UNL     1      -4.555   1.901  -1.457  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.187   4.060  -0.003  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.531   3.374  -1.780  1.00  0.00           O  
HETATM   27  O   UNL     1       0.123   2.373  -0.238  1.00  0.00           O  
HETATM   28  P   UNL     1       0.592   3.675   0.584  1.00  0.00           P  
HETATM   29  O   UNL     1      -0.490   4.097   1.501  1.00  0.00           O  
HETATM   30  O   UNL     1       1.912   3.325   1.437  1.00  0.00           O  
HETATM   31  O   UNL     1       0.920   4.870  -0.445  1.00  0.00           O  
HETATM   32  O   UNL     1       1.907   0.283   0.416  1.00  0.00           O  
HETATM   33  P   UNL     1       3.144   0.373  -0.611  1.00  0.00           P  
HETATM   34  O   UNL     1       3.216  -0.873  -1.406  1.00  0.00           O  
HETATM   35  O   UNL     1       2.932   1.628  -1.598  1.00  0.00           O  
HETATM   36  O   UNL     1       4.514   0.564   0.213  1.00  0.00           O  
HETATM   37  P   UNL     1       6.073   0.418  -0.160  1.00  0.00           P  
HETATM   38  O   UNL     1       6.567   1.743  -0.930  1.00  0.00           O  
HETATM   39  O   UNL     1       6.932   0.230   1.189  1.00  0.00           O  
HETATM   40  O   UNL     1       6.263  -0.760  -1.035  1.00  0.00           O  
HETATM   41  H   UNL     1      -1.797   0.755  -1.132  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.313   1.307   1.477  1.00  0.00           H  
HETATM   43  H   UNL     1       0.543  -0.120  -1.082  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.240  -0.266   1.710  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.711  -2.475   0.715  1.00  0.00           H  
HETATM   46  H   UNL     1       0.100  -1.141   1.760  1.00  0.00           H  
HETATM   47  H   UNL     1       3.497  -1.901   1.470  1.00  0.00           H  
HETATM   48  H   UNL     1       3.013  -5.010   1.217  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.202  -3.663  -3.985  1.00  0.00           H  
HETATM   50  H   UNL     1       0.041  -4.131  -1.813  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.999  -1.012   0.971  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.572  -2.866   1.772  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.194   1.515  -0.842  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.709   4.624  -0.589  1.00  0.00           H  
HETATM   55  H   UNL     1       2.664   3.041   0.899  1.00  0.00           H  
HETATM   56  H   UNL     1       1.209   5.688  -0.019  1.00  0.00           H  
HETATM   57  H   UNL     1       2.875   2.480  -1.144  1.00  0.00           H  
HETATM   58  H   UNL     1       6.471   2.556  -0.414  1.00  0.00           H  
HETATM   59  H   UNL     1       7.883   0.135   1.039  1.00  0.00           H  
CONECT    1    2   22    4   41                                       
CONECT    2   27    1    3   42                                       
CONECT    3    2   32    6   43                                       
CONECT    4    1   17    5   44                                       
CONECT    5   12    4    6   45                                       
CONECT    6    3   11    5   46                                       
CONECT    7    9   47                                                 
CONECT    8    9   48                                                 
CONECT    9   11   10   10    8                                       
CONECT    9    7                                                      
CONECT   10    9    9                                                 
CONECT   11    6    9                                                 
CONECT   12   13    5                                                 
CONECT   13   16   16   12   14                                       
CONECT   13   15                                                      
CONECT   14   13   49                                                 
CONECT   15   13   50                                                 
CONECT   16   13   13                                                 
CONECT   17    4   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   51                                                 
CONECT   21   18   52                                                 
CONECT   22   23    1                                                 
CONECT   23   26   26   24   22                                       
CONECT   23   25                                                      
CONECT   24   23   53                                                 
CONECT   25   23   54                                                 
CONECT   26   23   23                                                 
CONECT   27   28    2                                                 
CONECT   28   29   29   30   27                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   55                                                 
CONECT   31   28   56                                                 
CONECT   32   33    3                                                 
CONECT   33   34   34   35   36                                       
CONECT   33   32                                                      
CONECT   34   33   33                                                 
CONECT   35   33   57                                                 
CONECT   36   37   33                                                 
CONECT   37   40   40   38   36                                       
CONECT   37   39                                                      
CONECT   38   37   58                                                 
CONECT   39   37   59                                                 
CONECT   40   37   37                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   35                                                      
CONECT   58   38                                                      
CONECT   59   39                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
