COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.998   0.944   5.000  1.00  0.00           P  
HETATM    2  O   UNL     1       0.236   1.740   5.175  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.217   1.922   4.613  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.780  -0.132   3.823  1.00  0.00           O  
HETATM    5  P   UNL     1      -0.443   0.700   2.487  1.00  0.00           P  
HETATM    6  O   UNL     1       0.783   1.500   2.701  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.671   1.682   2.143  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.212  -0.319   1.262  1.00  0.00           O  
HETATM    9  P   UNL     1       0.118   0.577  -0.033  1.00  0.00           P  
HETATM   10  O   UNL     1      -1.018   1.482  -0.310  1.00  0.00           O  
HETATM   11  O   UNL     1       1.443   1.449   0.242  1.00  0.00           O  
HETATM   12  O   UNL     1       0.362  -0.383  -1.301  1.00  0.00           O  
HETATM   13  P   UNL     1       0.686   0.574  -2.554  1.00  0.00           P  
HETATM   14  O   UNL     1      -0.460   1.479  -2.793  1.00  0.00           O  
HETATM   15  O   UNL     1       2.001   1.446  -2.237  1.00  0.00           O  
HETATM   16  O   UNL     1       0.942  -0.325  -3.865  1.00  0.00           O  
HETATM   17  P   UNL     1       1.258   0.691  -5.073  1.00  0.00           P  
HETATM   18  O   UNL     1       0.103   1.594  -5.273  1.00  0.00           O  
HETATM   19  O   UNL     1       2.564   1.562  -4.713  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.340   0.176   6.373  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.522   1.180   7.373  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.852   0.513   8.710  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.764  -0.337   9.130  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.977   1.574   9.827  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.349   1.898  10.058  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.364   0.886  11.069  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.339   0.767  12.107  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.939  -0.506  10.554  1.00  0.00           C  
HETATM   29  N   UNL     1       0.319  -0.919  11.178  1.00  0.00           N  
HETATM   30  C   UNL     1       1.574  -0.648  10.719  1.00  0.00           C  
HETATM   31  N   UNL     1       2.461  -1.166  11.518  1.00  0.00           N  
HETATM   32  C   UNL     1       1.834  -1.796  12.540  1.00  0.00           C  
HETATM   33  C   UNL     1       2.262  -2.520  13.665  1.00  0.00           C  
HETATM   34  N   UNL     1       3.610  -2.701  13.920  1.00  0.00           N  
HETATM   35  N   UNL     1       1.342  -3.022  14.483  1.00  0.00           N  
HETATM   36  C   UNL     1       0.054  -2.854  14.248  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.392  -2.188  13.204  1.00  0.00           N  
HETATM   38  C   UNL     1       0.452  -1.650  12.331  1.00  0.00           C  
HETATM   39  O   UNL     1       1.526  -0.144  -6.422  1.00  0.00           O  
HETATM   40  C   UNL     1       1.799   0.808  -7.451  1.00  0.00           C  
HETATM   41  C   UNL     1       2.063   0.075  -8.768  1.00  0.00           C  
HETATM   42  O   UNL     1       0.897  -0.670  -9.155  1.00  0.00           O  
HETATM   43  C   UNL     1       2.352   1.095  -9.887  1.00  0.00           C  
HETATM   44  O   UNL     1       3.654   0.888 -10.437  1.00  0.00           O  
HETATM   45  C   UNL     1       1.260   0.805 -10.951  1.00  0.00           C  
HETATM   46  O   UNL     1       1.805   0.871 -12.270  1.00  0.00           O  
HETATM   47  C   UNL     1       0.840  -0.644 -10.598  1.00  0.00           C  
HETATM   48  N   UNL     1      -0.520  -0.918 -11.065  1.00  0.00           N  
HETATM   49  C   UNL     1      -1.675  -0.641 -10.395  1.00  0.00           C  
HETATM   50  N   UNL     1      -2.700  -1.016 -11.102  1.00  0.00           N  
HETATM   51  C   UNL     1      -2.271  -1.556 -12.268  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.905  -2.115 -13.391  1.00  0.00           C  
HETATM   53  N   UNL     1      -4.285  -2.198 -13.457  1.00  0.00           N  
HETATM   54  N   UNL     1      -2.148  -2.563 -14.388  1.00  0.00           N  
HETATM   55  C   UNL     1      -0.831  -2.488 -14.333  1.00  0.00           C  
HETATM   56  N   UNL     1      -0.194  -1.973 -13.303  1.00  0.00           N  
HETATM   57  C   UNL     1      -0.867  -1.495 -12.261  1.00  0.00           C  
HETATM   58  H   UNL     1      -3.000   1.364   4.509  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.448   1.122   2.011  1.00  0.00           H  
HETATM   60  H   UNL     1       2.159   0.823   0.418  1.00  0.00           H  
HETATM   61  H   UNL     1       2.723   0.820  -2.088  1.00  0.00           H  
HETATM   62  H   UNL     1       3.292   0.937  -4.591  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.341   1.838   7.083  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.606   1.762   7.474  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.774  -0.061   8.629  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.412   2.469   9.567  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.364   2.562  10.762  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.496   1.441  11.424  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.607   1.666  12.343  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.720  -1.239  10.755  1.00  0.00           H  
HETATM   71  H   UNL     1       1.798  -0.086   9.824  1.00  0.00           H  
HETATM   72  H   UNL     1       3.893  -3.200  14.703  1.00  0.00           H  
HETATM   73  H   UNL     1       4.272  -2.333  13.314  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.659  -3.279  14.938  1.00  0.00           H  
HETATM   75  H   UNL     1       0.941   1.470  -7.570  1.00  0.00           H  
HETATM   76  H   UNL     1       2.676   1.395  -7.180  1.00  0.00           H  
HETATM   77  H   UNL     1       2.912  -0.598  -8.653  1.00  0.00           H  
HETATM   78  H   UNL     1       2.255   2.112  -9.509  1.00  0.00           H  
HETATM   79  H   UNL     1       3.751   1.514 -11.169  1.00  0.00           H  
HETATM   80  H   UNL     1       0.420   1.491 -10.844  1.00  0.00           H  
HETATM   81  H   UNL     1       2.046   1.795 -12.427  1.00  0.00           H  
HETATM   82  H   UNL     1       1.542  -1.361 -11.023  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.729  -0.178  -9.421  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.710  -2.586 -14.238  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.826  -1.868 -12.723  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.254  -2.864 -15.165  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   20                                                      
CONECT    2    1    1                                                 
CONECT    3    1   58                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    5    8                                                      
CONECT    6    5    5                                                 
CONECT    7    5   59                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10   10   11                                       
CONECT    9   12                                                      
CONECT   10    9    9                                                 
CONECT   11    9   60                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   14   15                                       
CONECT   13   16                                                      
CONECT   14   13   13                                                 
CONECT   15   13   61                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   18   19                                       
CONECT   17   39                                                      
CONECT   18   17   17                                                 
CONECT   19   17   62                                                 
CONECT   20    1   21                                                 
CONECT   21   20   22   63   64                                       
CONECT   22   21   23   24   65                                       
CONECT   23   22   28                                                 
CONECT   24   22   25   26   66                                       
CONECT   25   24   67                                                 
CONECT   26   24   27   28   68                                       
CONECT   27   26   69                                                 
CONECT   28   23   26   29   70                                       
CONECT   29   28   30   38                                            
CONECT   30   29   31   31   71                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   38   38                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   72   73                                            
CONECT   35   33   33   36                                            
CONECT   36   35   37   37   74                                       
CONECT   37   36   36   38                                            
CONECT   38   29   32   32   37                                       
CONECT   39   17   40                                                 
CONECT   40   39   41   75   76                                       
CONECT   41   40   42   43   77                                       
CONECT   42   41   47                                                 
CONECT   43   41   44   45   78                                       
CONECT   44   43   79                                                 
CONECT   45   43   46   47   80                                       
CONECT   46   45   81                                                 
CONECT   47   42   45   48   82                                       
CONECT   48   47   49   57                                            
CONECT   49   48   50   50   83                                       
CONECT   50   49   49   51                                            
CONECT   51   50   52   57   57                                       
CONECT   52   51   53   54   54                                       
CONECT   53   52   84   85                                            
CONECT   54   52   52   55                                            
CONECT   55   54   56   56   86                                       
CONECT   56   55   55   57                                            
CONECT   57   48   51   51   56                                       
CONECT   58    3                                                      
CONECT   59    7                                                      
CONECT   60   11                                                      
CONECT   61   15                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
CONECT   82   47                                                      
CONECT   83   49                                                      
CONECT   84   53                                                      
CONECT   85   53                                                      
CONECT   86   55                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
