COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.037  -1.643   1.178  1.00  0.00           O  
HETATM    2  P   UNL     1       0.265  -1.111   0.396  1.00  0.00           P  
HETATM    3  O   UNL     1       1.289  -0.450   1.448  1.00  0.00           O  
HETATM    4  O   UNL     1       0.925  -2.244  -0.289  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.174  -0.008  -0.690  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.078  -0.652  -1.590  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.536   0.347  -2.654  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.406   0.803  -3.415  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.867   1.020  -4.766  1.00  0.00           C  
HETATM   10  N   UNL     1       0.256   0.992  -5.706  1.00  0.00           N  
HETATM   11  C   UNL     1       0.510   2.076  -6.491  1.00  0.00           C  
HETATM   12  C   UNL     1       1.551   2.039  -7.355  1.00  0.00           C  
HETATM   13  C   UNL     1       2.345   0.875  -7.418  1.00  0.00           C  
HETATM   14  N   UNL     1       3.409   0.809  -8.288  1.00  0.00           N  
HETATM   15  N   UNL     1       2.060  -0.156  -6.634  1.00  0.00           N  
HETATM   16  C   UNL     1       1.035  -0.101  -5.785  1.00  0.00           C  
HETATM   17  O   UNL     1       0.793  -1.063  -5.075  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.823  -0.173  -5.018  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.784   0.145  -6.025  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.506  -0.340  -3.635  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.780   0.307  -3.625  1.00  0.00           O  
HETATM   22  C   UNL     1       1.477  -2.742   2.122  1.00  0.00           C  
HETATM   23  O   UNL     1       2.597  -3.130   1.491  1.00  0.00           O  
HETATM   24  O   UNL     1       0.589  -3.536   2.319  1.00  0.00           O  
HETATM   25  C   UNL     1       1.329  -1.315   2.585  1.00  0.00           C  
HETATM   26  O   UNL     1       0.118  -1.180   3.326  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.076   0.207   3.590  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.456   0.417   4.217  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.581  -0.403   5.380  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.538   0.036   3.205  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.474   0.919   2.083  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.915   0.147   3.864  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.926  -0.208   2.919  1.00  0.00           O  
HETATM   34  C   UNL     1       1.002   0.707   4.554  1.00  0.00           C  
HETATM   35  N   UNL     1       0.783   2.127   4.840  1.00  0.00           N  
HETATM   36  C   UNL     1       1.157   2.640   6.029  1.00  0.00           C  
HETATM   37  O   UNL     1       1.676   1.926   6.861  1.00  0.00           O  
HETATM   38  C   UNL     1       0.932   4.101   6.324  1.00  0.00           C  
HETATM   39  C   UNL     1       2.379   0.521   3.905  1.00  0.00           C  
HETATM   40  O   UNL     1       3.401   0.845   4.849  1.00  0.00           O  
HETATM   41  C   UNL     1       2.521  -0.940   3.468  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.515  -0.862   1.488  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.575  -1.490  -2.072  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.943  -1.016  -1.037  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.029   1.194  -2.178  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.405   1.965  -4.841  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.112   2.956  -6.425  1.00  0.00           H  
HETATM   48  H   UNL     1       1.771   2.887  -7.987  1.00  0.00           H  
HETATM   49  H   UNL     1       3.953   0.007  -8.329  1.00  0.00           H  
HETATM   50  H   UNL     1       3.615   1.565  -8.860  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.263  -1.069  -5.287  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.345  -0.634  -6.134  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.614  -1.396  -3.387  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.319  -0.128  -4.299  1.00  0.00           H  
HETATM   55  H   UNL     1       2.692  -4.045   1.195  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.013   0.766   2.657  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.572   1.464   4.496  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.472  -1.319   5.088  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.378  -0.988   2.869  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.621   1.813   2.423  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.963  -0.526   4.719  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.075   1.172   4.199  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.775  -0.124   3.373  1.00  0.00           H  
HETATM   64  H   UNL     1       0.956   0.136   5.481  1.00  0.00           H  
HETATM   65  H   UNL     1       0.368   2.698   4.175  1.00  0.00           H  
HETATM   66  H   UNL     1       1.296   4.329   7.326  1.00  0.00           H  
HETATM   67  H   UNL     1       1.470   4.706   5.595  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.133   4.323   6.265  1.00  0.00           H  
HETATM   69  H   UNL     1       2.464   1.173   3.036  1.00  0.00           H  
HETATM   70  H   UNL     1       4.248   0.714   4.400  1.00  0.00           H  
HETATM   71  H   UNL     1       3.446  -1.063   2.904  1.00  0.00           H  
HETATM   72  H   UNL     1       2.541  -1.583   4.347  1.00  0.00           H  
CONECT    1    2   42                                                 
CONECT    2    1    3    4    4                                       
CONECT    2    5                                                      
CONECT    3    2   25                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   43   44                                       
CONECT    7    6    8   20   45                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   18   46                                       
CONECT   10    9   11   16                                            
CONECT   11   10   12   12   47                                       
CONECT   12   11   11   13   48                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   49   50                                            
CONECT   15   13   13   16                                            
CONECT   16   10   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    9   19   20   51                                       
CONECT   19   18   52                                                 
CONECT   20    7   18   21   53                                       
CONECT   21   20   54                                                 
CONECT   22   23   24   24   25                                       
CONECT   23   22   55                                                 
CONECT   24   22   22                                                 
CONECT   25    3   22   26   41                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   34   56                                       
CONECT   28   27   29   30   57                                       
CONECT   29   28   58                                                 
CONECT   30   28   31   32   59                                       
CONECT   31   30   60                                                 
CONECT   32   30   33   61   62                                       
CONECT   33   32   63                                                 
CONECT   34   27   35   39   64                                       
CONECT   35   34   36   65                                            
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   66   67   68                                       
CONECT   39   34   40   41   69                                       
CONECT   40   39   70                                                 
CONECT   41   25   39   71   72                                       
CONECT   42    1                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
