COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       3.974   3.112   0.619  1.00  0.00           P  
HETATM    2  O   UNL     1       5.246   3.505   1.266  1.00  0.00           O  
HETATM    3  O   UNL     1       3.671   4.101  -0.614  1.00  0.00           O  
HETATM    4  O   UNL     1       2.776   3.206   1.691  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.022  -3.223   0.941  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.766  -2.469   0.963  1.00  0.00           N  
HETATM    7  C   UNL     1       1.692  -2.318   0.733  1.00  0.00           C  
HETATM    8  C   UNL     1       0.401  -3.094   0.711  1.00  0.00           C  
HETATM    9  O   UNL     1       0.411  -4.282   0.466  1.00  0.00           O  
HETATM   10  N   UNL     1       2.815  -3.243   0.909  1.00  0.00           N  
HETATM   11  C   UNL     1       1.856  -1.563  -0.587  1.00  0.00           C  
HETATM   12  C   UNL     1       3.084  -0.691  -0.518  1.00  0.00           C  
HETATM   13  C   UNL     1       2.982   0.609  -0.060  1.00  0.00           C  
HETATM   14  C   UNL     1       4.309  -1.192  -0.919  1.00  0.00           C  
HETATM   15  C   UNL     1       4.107   1.408   0.010  1.00  0.00           C  
HETATM   16  C   UNL     1       5.435  -0.395  -0.857  1.00  0.00           C  
HETATM   17  C   UNL     1       5.337   0.909  -0.391  1.00  0.00           C  
HETATM   18  O   UNL     1       6.444   1.694  -0.329  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.247  -3.878   2.305  1.00  0.00           C  
HETATM   20  C   UNL     1       3.035  -4.216   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       4.190  -5.167   0.183  1.00  0.00           C  
HETATM   22  O   UNL     1       2.304  -4.325  -0.959  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.284   0.298  -0.175  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.164  -2.288   0.638  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.176  -2.693  -0.205  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.239  -1.829  -0.483  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.261  -0.551   0.092  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.231  -0.159   0.934  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.189  -1.024   1.204  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.021   1.502   0.549  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.145   2.508   0.291  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.928   3.748   1.160  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.052   4.754   0.902  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.045   5.158  -0.574  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.261   3.918  -1.443  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.138   2.912  -1.185  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.329  -2.259  -1.379  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.304  -3.489  -1.930  1.00  0.00           N  
HETATM   39  O   UNL     1      -7.250  -1.503  -1.622  1.00  0.00           O  
HETATM   40  C   UNL     1       7.537   0.906  -0.804  1.00  0.00           C  
HETATM   41  C   UNL     1       8.802   1.724  -0.761  1.00  0.00           C  
HETATM   42  O   UNL     1       9.964   1.185  -1.163  1.00  0.00           O  
HETATM   43  O   UNL     1       8.771   2.865  -0.364  1.00  0.00           O  
HETATM   44  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   45  H   UNL     1       2.739   4.125   1.989  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.969  -3.994   0.172  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.774  -1.519   1.159  1.00  0.00           H  
HETATM   48  H   UNL     1       1.675  -1.607   1.559  1.00  0.00           H  
HETATM   49  H   UNL     1       3.399  -3.155   1.678  1.00  0.00           H  
HETATM   50  H   UNL     1       1.963  -2.277  -1.404  1.00  0.00           H  
HETATM   51  H   UNL     1       0.978  -0.940  -0.761  1.00  0.00           H  
HETATM   52  H   UNL     1       2.024   0.998   0.252  1.00  0.00           H  
HETATM   53  H   UNL     1       4.385  -2.206  -1.282  1.00  0.00           H  
HETATM   54  H   UNL     1       6.392  -0.786  -1.169  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.299  -3.107   3.074  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.181  -4.439   2.289  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.420  -4.554   2.525  1.00  0.00           H  
HETATM   58  H   UNL     1       3.861  -6.031   0.760  1.00  0.00           H  
HETATM   59  H   UNL     1       4.546  -5.496  -0.793  1.00  0.00           H  
HETATM   60  H   UNL     1       4.997  -4.662   0.713  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.152  -3.679  -0.644  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.243   0.825   1.379  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.390  -0.713   1.860  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.969   1.281   1.615  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.072   1.924   0.218  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.104   2.053   0.538  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.933   3.460   2.211  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.969   4.203   0.912  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.011   4.299   1.150  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.898   5.638   1.522  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.846   5.875  -0.757  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.086   5.613  -0.821  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.221   3.463  -1.195  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.257   4.206  -2.494  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.179   3.367  -1.433  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.292   2.029  -1.805  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.569  -4.092  -1.737  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.020  -3.771  -2.519  1.00  0.00           H  
HETATM   79  H   UNL     1       7.652   0.026  -0.172  1.00  0.00           H  
HETATM   80  H   UNL     1       7.342   0.594  -1.830  1.00  0.00           H  
HETATM   81  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1   15                                                      
CONECT    2    1   44                                                 
CONECT    3    1    1                                                 
CONECT    4    1   45                                                 
CONECT    5    6   19   24   46                                       
CONECT    6    5    8   47                                            
CONECT    7    8   10   11   48                                       
CONECT    8    6    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    7   20   49                                            
CONECT   11    7   12   50   51                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12   15   52                                       
CONECT   14   12   16   16   53                                       
CONECT   15    1   13   17   17                                       
CONECT   16   14   14   17   54                                       
CONECT   17   15   15   16   18                                       
CONECT   18   17   40                                                 
CONECT   19    5   55   56   57                                       
CONECT   20   10   21   22   22                                       
CONECT   21   20   58   59   60                                       
CONECT   22   20   20                                                 
CONECT   23   27   30                                                 
CONECT   24    5   25   25   29                                       
CONECT   25   24   24   26   61                                       
CONECT   26   25   27   27   37                                       
CONECT   27   23   26   26   28                                       
CONECT   28   27   29   29   62                                       
CONECT   29   24   28   28   63                                       
CONECT   30   23   31   64   65                                       
CONECT   31   30   32   36   66                                       
CONECT   32   31   33   67   68                                       
CONECT   33   32   34   69   70                                       
CONECT   34   33   35   71   72                                       
CONECT   35   34   36   73   74                                       
CONECT   36   31   35   75   76                                       
CONECT   37   26   38   39   39                                       
CONECT   38   37   77   78                                            
CONECT   39   37   37                                                 
CONECT   40   18   41   79   80                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   81                                                 
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   25                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   43                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
