COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.368   4.081   1.031  1.00  0.00           O  
HETATM    2  P   UNL     1       6.044   3.698  -0.229  1.00  0.00           P  
HETATM    3  O   UNL     1       5.110   2.677  -1.051  1.00  0.00           O  
HETATM    4  O   UNL     1       6.311   5.015  -1.116  1.00  0.00           O  
HETATM    5  C   UNL     1       7.626   2.896   0.154  1.00  0.00           C  
HETATM    6  C   UNL     1       8.775   3.654   0.270  1.00  0.00           C  
HETATM    7  C   UNL     1       9.981   3.044   0.562  1.00  0.00           C  
HETATM    8  C   UNL     1      10.040   1.674   0.738  1.00  0.00           C  
HETATM    9  C   UNL     1       8.893   0.911   0.623  1.00  0.00           C  
HETATM   10  C   UNL     1       7.681   1.522   0.336  1.00  0.00           C  
HETATM   11  O   UNL     1       6.552   0.774   0.222  1.00  0.00           O  
HETATM   12  C   UNL     1       6.687  -0.636   0.410  1.00  0.00           C  
HETATM   13  C   UNL     1       5.341  -1.295   0.247  1.00  0.00           C  
HETATM   14  O   UNL     1       4.363  -0.623  -0.005  1.00  0.00           O  
HETATM   15  N   UNL     1       5.224  -2.631   0.382  1.00  0.00           N  
HETATM   16  C   UNL     1       3.962  -3.232   0.326  1.00  0.00           C  
HETATM   17  C   UNL     1       2.989  -2.724  -0.519  1.00  0.00           C  
HETATM   18  C   UNL     1       3.686  -4.342   1.116  1.00  0.00           C  
HETATM   19  C   UNL     1       2.440  -4.940   1.065  1.00  0.00           C  
HETATM   20  C   UNL     1       1.462  -4.438   0.230  1.00  0.00           C  
HETATM   21  C   UNL     1       1.732  -3.326  -0.570  1.00  0.00           C  
HETATM   22  C   UNL     1       0.686  -2.786  -1.465  1.00  0.00           C  
HETATM   23  O   UNL     1       0.922  -1.818  -2.162  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.530  -3.367  -1.510  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.566  -2.832  -2.397  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.839  -3.668  -2.256  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.361  -3.522  -0.933  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.557  -4.266  -0.695  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.023  -4.036   0.744  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.391  -2.665   0.912  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.843  -2.342   2.228  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.208  -0.858   2.292  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.324  -0.604   1.436  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.747   0.761   1.422  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.940   0.915   0.477  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.387   2.354   0.462  1.00  0.00           C  
HETATM   37  O   UNL     1      -8.807   3.176   1.141  1.00  0.00           O  
HETATM   38  N   UNL     1     -10.430   2.728  -0.305  1.00  0.00           N  
HETATM   39  C   UNL     1     -10.864   4.128  -0.319  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.058   4.282  -1.264  1.00  0.00           C  
HETATM   41  H   UNL     1       4.907   1.859  -0.575  1.00  0.00           H  
HETATM   42  H   UNL     1       6.868   5.675  -0.683  1.00  0.00           H  
HETATM   43  H   UNL     1       8.731   4.725   0.132  1.00  0.00           H  
HETATM   44  H   UNL     1      10.878   3.638   0.652  1.00  0.00           H  
HETATM   45  H   UNL     1      10.983   1.199   0.966  1.00  0.00           H  
HETATM   46  H   UNL     1       8.940  -0.159   0.760  1.00  0.00           H  
HETATM   47  H   UNL     1       7.379  -1.037  -0.330  1.00  0.00           H  
HETATM   48  H   UNL     1       7.070  -0.835   1.411  1.00  0.00           H  
HETATM   49  H   UNL     1       6.016  -3.176   0.516  1.00  0.00           H  
HETATM   50  H   UNL     1       3.202  -1.863  -1.136  1.00  0.00           H  
HETATM   51  H   UNL     1       4.447  -4.740   1.770  1.00  0.00           H  
HETATM   52  H   UNL     1       2.231  -5.802   1.681  1.00  0.00           H  
HETATM   53  H   UNL     1       0.491  -4.907   0.193  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.718  -4.140  -0.954  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.778  -1.798  -2.125  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.217  -2.873  -3.428  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.580  -3.326  -2.978  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.608  -4.717  -2.441  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.334  -3.937  -1.385  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.361  -5.328  -0.848  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.884  -4.671   0.953  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.214  -4.282   1.432  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.721  -2.942   2.469  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.051  -2.553   2.947  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.468  -0.591   3.316  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.357  -0.260   1.966  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.039   1.061   2.428  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.927   1.392   1.078  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.648   0.615  -0.529  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.760   0.284   0.821  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.893   2.071  -0.847  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.156   4.428   0.687  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.045   4.759  -0.663  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.766   3.982  -2.270  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.877   3.651  -0.920  1.00  0.00           H  
HETATM   76  C   UNL     1     -12.511   5.743  -1.279  1.00  0.00           C  
HETATM   77  H   UNL     1     -11.691   6.374  -1.623  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.361   5.853  -1.952  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.803   6.043  -0.272  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    2    4                                                      
CONECT    3    2   41                                                 
CONECT    4    2   42                                                 
CONECT    5   10    2    6    6                                       
CONECT    6    5    5    7   43                                       
CONECT    7    8    8    6   44                                       
CONECT    8    9    7    7   45                                       
CONECT    9   10   10    8   46                                       
CONECT   10   11    9    9    5                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   47   48                                       
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   49                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16   21   50                                       
CONECT   18   19   19   16   51                                       
CONECT   19   18   18   20   52                                       
CONECT   20   19   21   21   53                                       
CONECT   21   20   20   17   22                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   54                                            
CONECT   25   24   26   55   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   28   26                                                 
CONECT   28   29   27   59   60                                       
CONECT   29   28   30   61   62                                       
CONECT   30   31   29                                                 
CONECT   31   30   32   63   64                                       
CONECT   32   31   33   65   66                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   67   68                                       
CONECT   35   34   36   69   70                                       
CONECT   36   35   38   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   71                                            
CONECT   39   38   40   72   73                                       
CONECT   40   39   74   75   76                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   40   77   78   79                                       
CONECT   77   76                                                      
CONECT   78   76                                                      
CONECT   79   76                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
