COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       3.142  -1.904 -11.152  1.00  0.00           P  
HETATM    2  O   UNL     1       3.020  -1.857 -12.647  1.00  0.00           O  
HETATM    3  O   UNL     1       2.277  -3.061 -10.424  1.00  0.00           O  
HETATM    4  C   UNL     1       8.008  -4.601  -7.139  1.00  0.00           C  
HETATM    5  N   UNL     1       7.100  -5.593  -7.477  1.00  0.00           N  
HETATM    6  C   UNL     1       5.744  -5.644  -7.135  1.00  0.00           C  
HETATM    7  N   UNL     1       5.278  -4.557  -6.362  1.00  0.00           N  
HETATM    8  C   UNL     1       6.149  -3.537  -5.996  1.00  0.00           C  
HETATM    9  C   UNL     1       7.445  -3.490  -6.325  1.00  0.00           C  
HETATM   10  O   UNL     1       2.694  -0.551 -10.386  1.00  0.00           O  
HETATM   11  C   UNL     1       2.779  -0.516  -8.970  1.00  0.00           C  
HETATM   12  C   UNL     1       2.310   0.844  -8.484  1.00  0.00           C  
HETATM   13  O   UNL     1       0.937   1.039  -8.870  1.00  0.00           O  
HETATM   14  C   UNL     1       0.247   1.701  -7.799  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.743   0.799  -7.276  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.478  -0.564  -7.306  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.957   1.278  -6.740  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.259   2.471  -6.682  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.826   0.288  -6.266  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.613  -1.082  -6.273  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.423  -1.897  -5.839  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.311  -1.508  -6.851  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.007  -2.971  -6.893  1.00  0.00           C  
HETATM   24  C   UNL     1       1.294   2.078  -6.764  1.00  0.00           C  
HETATM   25  C   UNL     1       2.345   1.002  -6.967  1.00  0.00           C  
HETATM   26  C   UNL     1       3.710   1.371  -6.413  1.00  0.00           C  
HETATM   27  C   UNL     1       3.687   1.618  -4.894  1.00  0.00           C  
HETATM   28  C   UNL     1       5.081   2.005  -4.397  1.00  0.00           C  
HETATM   29  C   UNL     1       3.216   0.388  -4.117  1.00  0.00           C  
HETATM   30  O   UNL     1       2.223   0.395  -3.393  1.00  0.00           O  
HETATM   31  N   UNL     1       4.016  -0.722  -4.349  1.00  0.00           N  
HETATM   32  C   UNL     1       3.752  -2.007  -3.746  1.00  0.00           C  
HETATM   33  C   UNL     1       2.839  -2.850  -4.627  1.00  0.00           C  
HETATM   34  O   UNL     1       3.520  -3.095  -5.877  1.00  0.00           O  
HETATM   35  C   UNL     1       3.910  -4.477  -5.937  1.00  0.00           C  
HETATM   36  O   UNL     1       5.031  -6.583  -7.496  1.00  0.00           O  
HETATM   37  O   UNL     1       9.189  -4.618  -7.475  1.00  0.00           O  
HETATM   38  C   UNL     1       8.363  -2.381  -5.920  1.00  0.00           C  
HETATM   39  C   UNL     1       3.700  -5.047  -4.545  1.00  0.00           C  
HETATM   40  O   UNL     1       3.409  -6.430  -4.563  1.00  0.00           O  
HETATM   41  C   UNL     1       3.092  -6.921  -3.264  1.00  0.00           C  
HETATM   42  C   UNL     1       2.535  -4.222  -4.040  1.00  0.00           C  
HETATM   43  O   UNL     1       1.314  -4.685  -4.614  1.00  0.00           O  
HETATM   44  O   UNL     1       4.640  -2.154 -10.596  1.00  0.00           O  
HETATM   45  H   UNL     1       2.329  -3.979 -10.767  1.00  0.00           H  
HETATM   46  H   UNL     1       7.456  -6.365  -8.033  1.00  0.00           H  
HETATM   47  H   UNL     1       5.698  -2.746  -5.404  1.00  0.00           H  
HETATM   48  H   UNL     1       2.148  -1.306  -8.556  1.00  0.00           H  
HETATM   49  H   UNL     1       3.816  -0.688  -8.672  1.00  0.00           H  
HETATM   50  H   UNL     1       2.899   1.627  -8.976  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.282   2.575  -8.189  1.00  0.00           H  
HETATM   52  H   UNL     1       0.482  -0.833  -7.736  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.708   0.610  -5.876  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.205  -3.160  -7.607  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.896  -3.524  -7.195  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.697  -3.311  -5.906  1.00  0.00           H  
HETATM   57  H   UNL     1       0.909   2.119  -5.741  1.00  0.00           H  
HETATM   58  H   UNL     1       1.717   3.061  -7.010  1.00  0.00           H  
HETATM   59  H   UNL     1       2.006   0.077  -6.484  1.00  0.00           H  
HETATM   60  H   UNL     1       4.053   2.282  -6.922  1.00  0.00           H  
HETATM   61  H   UNL     1       4.430   0.581  -6.663  1.00  0.00           H  
HETATM   62  H   UNL     1       3.000   2.448  -4.683  1.00  0.00           H  
HETATM   63  H   UNL     1       5.800   1.196  -4.567  1.00  0.00           H  
HETATM   64  H   UNL     1       5.445   2.900  -4.913  1.00  0.00           H  
HETATM   65  H   UNL     1       5.076   2.219  -3.323  1.00  0.00           H  
HETATM   66  H   UNL     1       4.800  -0.650  -4.991  1.00  0.00           H  
HETATM   67  H   UNL     1       4.712  -2.510  -3.598  1.00  0.00           H  
HETATM   68  H   UNL     1       3.293  -1.829  -2.769  1.00  0.00           H  
HETATM   69  H   UNL     1       1.928  -2.285  -4.850  1.00  0.00           H  
HETATM   70  H   UNL     1       3.303  -4.983  -6.695  1.00  0.00           H  
HETATM   71  H   UNL     1       7.921  -1.821  -5.097  1.00  0.00           H  
HETATM   72  H   UNL     1       8.528  -1.713  -6.764  1.00  0.00           H  
HETATM   73  H   UNL     1       9.320  -2.793  -5.603  1.00  0.00           H  
HETATM   74  H   UNL     1       4.581  -4.882  -3.914  1.00  0.00           H  
HETATM   75  H   UNL     1       3.185  -8.009  -3.252  1.00  0.00           H  
HETATM   76  H   UNL     1       2.071  -6.629  -3.003  1.00  0.00           H  
HETATM   77  H   UNL     1       3.788  -6.489  -2.541  1.00  0.00           H  
HETATM   78  H   UNL     1       2.421  -4.235  -2.953  1.00  0.00           H  
HETATM   79  H   UNL     1       0.861  -5.192  -3.923  1.00  0.00           H  
HETATM   80  H   UNL     1       5.175  -2.879 -10.983  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    1   44                                                      
CONECT    2    1    1                                                 
CONECT    3    1   45                                                 
CONECT    4    5    9   37   37                                       
CONECT    5    4    6   46                                            
CONECT    6    5    7   36   36                                       
CONECT    7    6    8   35                                            
CONECT    8    7    9    9   47                                       
CONECT    9    4    8    8   38                                       
CONECT   10    1   11                                                 
CONECT   11   10   12   48   49                                       
CONECT   12   11   13   25   50                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   24   51                                       
CONECT   15   14   16   17                                            
CONECT   16   15   22   22   52                                       
CONECT   17   15   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   53                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   16   16   20   23                                       
CONECT   23   22   54   55   56                                       
CONECT   24   14   25   57   58                                       
CONECT   25   12   24   26   59                                       
CONECT   26   25   27   60   61                                       
CONECT   27   26   28   29   62                                       
CONECT   28   27   63   64   65                                       
CONECT   29   27   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   66                                            
CONECT   32   31   33   67   68                                       
CONECT   33   32   34   42   69                                       
CONECT   34   33   35                                                 
CONECT   35    7   34   39   70                                       
CONECT   36    6    6                                                 
CONECT   37    4    4                                                 
CONECT   38    9   71   72   73                                       
CONECT   39   35   40   42   74                                       
CONECT   40   39   41                                                 
CONECT   41   40   75   76   77                                       
CONECT   42   33   39   43   78                                       
CONECT   43   42   79                                                 
CONECT   44    1   80                                                 
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
