COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.531   2.324   1.478  1.00  0.00           O  
HETATM    2  P   UNL     1     -10.114   2.820   0.896  1.00  0.00           P  
HETATM    3  O   UNL     1      -9.068   2.639   1.927  1.00  0.00           O  
HETATM    4  O   UNL     1      -9.738   1.956  -0.409  1.00  0.00           O  
HETATM    5  C   UNL     1      -9.475   0.552  -0.363  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.151   0.048  -1.771  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.341   0.315  -2.695  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.918   0.780  -2.304  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.870  -1.455  -1.722  1.00  0.00           C  
HETATM   10  O   UNL     1     -10.061  -2.150  -1.345  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.786  -1.731  -0.713  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.065  -2.235   0.354  1.00  0.00           O  
HETATM   13  N   UNL     1      -6.506  -1.419  -0.997  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.438  -1.785  -0.063  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.092  -1.318  -0.619  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.993  -1.695   0.341  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.261  -2.279   1.370  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.713  -1.382   0.058  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.646  -1.748   0.992  1.00  0.00           C  
HETATM   20  C   UNL     1       0.701  -1.281   0.435  1.00  0.00           C  
HETATM   21  S   UNL     1       2.020  -1.734   1.589  1.00  0.00           S  
HETATM   22  C   UNL     1       3.376  -1.113   0.748  1.00  0.00           C  
HETATM   23  O   UNL     1       3.226  -0.559  -0.321  1.00  0.00           O  
HETATM   24  C   UNL     1       4.757  -1.255   1.336  1.00  0.00           C  
HETATM   25  C   UNL     1       5.780  -0.621   0.392  1.00  0.00           C  
HETATM   26  C   UNL     1       7.182  -0.765   0.989  1.00  0.00           C  
HETATM   27  C   UNL     1       8.205  -0.130   0.045  1.00  0.00           C  
HETATM   28  C   UNL     1       9.607  -0.274   0.642  1.00  0.00           C  
HETATM   29  C   UNL     1      10.631   0.360  -0.302  1.00  0.00           C  
HETATM   30  C   UNL     1      12.032   0.216   0.294  1.00  0.00           C  
HETATM   31  C   UNL     1      13.056   0.850  -0.649  1.00  0.00           C  
HETATM   32  C   UNL     1      14.457   0.706  -0.053  1.00  0.00           C  
HETATM   33  C   UNL     1      15.481   1.341  -0.997  1.00  0.00           C  
HETATM   34  C   UNL     1      16.882   1.197  -0.400  1.00  0.00           C  
HETATM   35  C   UNL     1      17.906   1.831  -1.344  1.00  0.00           C  
HETATM   36  C   UNL     1      19.308   1.687  -0.747  1.00  0.00           C  
HETATM   37  H   UNL     1     -12.265   2.414   0.855  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.627   0.362   0.295  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.354   0.030   0.016  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.482   1.390  -2.804  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.149  -0.128  -3.672  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.241  -0.128  -2.266  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.105   0.695  -1.582  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.612   0.335  -3.250  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.158   1.832  -2.458  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.547  -1.797  -2.706  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.406  -1.896  -0.478  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.292  -0.951  -1.819  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.619  -1.308   0.900  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.423  -2.867   0.065  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.911  -1.795  -1.583  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.107  -0.236  -0.747  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.499  -0.915  -0.765  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.826  -1.271   1.955  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.630  -2.831   1.119  1.00  0.00           H  
HETATM   56  H   UNL     1       0.881  -1.758  -0.528  1.00  0.00           H  
HETATM   57  H   UNL     1       0.686  -0.199   0.307  1.00  0.00           H  
HETATM   58  H   UNL     1       4.793  -0.752   2.303  1.00  0.00           H  
HETATM   59  H   UNL     1       4.989  -2.312   1.467  1.00  0.00           H  
HETATM   60  H   UNL     1       5.744  -1.123  -0.574  1.00  0.00           H  
HETATM   61  H   UNL     1       5.548   0.436   0.261  1.00  0.00           H  
HETATM   62  H   UNL     1       7.219  -0.262   1.955  1.00  0.00           H  
HETATM   63  H   UNL     1       7.414  -1.821   1.120  1.00  0.00           H  
HETATM   64  H   UNL     1       8.169  -0.633  -0.922  1.00  0.00           H  
HETATM   65  H   UNL     1       7.973   0.926  -0.086  1.00  0.00           H  
HETATM   66  H   UNL     1       9.644   0.228   1.608  1.00  0.00           H  
HETATM   67  H   UNL     1       9.839  -1.331   0.773  1.00  0.00           H  
HETATM   68  H   UNL     1      10.594  -0.143  -1.269  1.00  0.00           H  
HETATM   69  H   UNL     1      10.398   1.417  -0.433  1.00  0.00           H  
HETATM   70  H   UNL     1      12.069   0.719   1.261  1.00  0.00           H  
HETATM   71  H   UNL     1      12.264  -0.841   0.426  1.00  0.00           H  
HETATM   72  H   UNL     1      13.019   0.348  -1.616  1.00  0.00           H  
HETATM   73  H   UNL     1      12.823   1.907  -0.780  1.00  0.00           H  
HETATM   74  H   UNL     1      14.494   1.209   0.914  1.00  0.00           H  
HETATM   75  H   UNL     1      14.690  -0.350   0.078  1.00  0.00           H  
HETATM   76  H   UNL     1      15.444   0.838  -1.963  1.00  0.00           H  
HETATM   77  H   UNL     1      15.248   2.397  -1.128  1.00  0.00           H  
HETATM   78  H   UNL     1      16.919   1.700   0.567  1.00  0.00           H  
HETATM   79  H   UNL     1      17.115   0.140  -0.269  1.00  0.00           H  
HETATM   80  H   UNL     1      17.869   1.328  -2.310  1.00  0.00           H  
HETATM   81  H   UNL     1      17.674   2.888  -1.475  1.00  0.00           H  
HETATM   82  H   UNL     1      19.540   0.630  -0.616  1.00  0.00           H  
HETATM   83  H   UNL     1      20.037   2.139  -1.419  1.00  0.00           H  
HETATM   84  H   UNL     1      19.344   2.190   0.220  1.00  0.00           H  
HETATM   85  O   UNL     1     -10.213   4.377   0.499  1.00  0.00           O  
HETATM   86  H   UNL     1     -10.437   4.958   1.238  1.00  0.00           H  
CONECT    1    2   37                                                 
CONECT    2    1    3    3    4                                       
CONECT    2   85                                                      
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6   38   39                                       
CONECT    6    8    7    5    9                                       
CONECT    7    6   40   41   42                                       
CONECT    8    6   43   44   45                                       
CONECT    9    6   11   10   46                                       
CONECT   10    9   47                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   48                                            
CONECT   14   15   13   49   50                                       
CONECT   15   16   14   51   52                                       
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   53                                            
CONECT   19   18   20   54   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21   22   20                                                 
CONECT   22   23   23   24   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   58   59                                       
CONECT   25   24   26   60   61                                       
CONECT   26   27   25   62   63                                       
CONECT   27   28   26   64   65                                       
CONECT   28   29   27   66   67                                       
CONECT   29   30   28   68   69                                       
CONECT   30   31   29   70   71                                       
CONECT   31   32   30   72   73                                       
CONECT   32   33   31   74   75                                       
CONECT   33   34   32   76   77                                       
CONECT   34   35   33   78   79                                       
CONECT   35   36   34   80   81                                       
CONECT   36   35   82   83   84                                       
CONECT   37    1                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85    2   86                                                 
CONECT   86   85                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
