COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       8.692   2.838  -0.706  1.00  0.00           P  
HETATM    2  O   UNL     1       7.227   3.490  -0.861  1.00  0.00           O  
HETATM    3  O   UNL     1       9.442   3.919   0.223  1.00  0.00           O  
HETATM    4  O   UNL     1       8.416   1.639   0.332  1.00  0.00           O  
HETATM    5  C   UNL     1       8.047   0.321  -0.081  1.00  0.00           C  
HETATM    6  C   UNL     1       7.863  -0.567   1.151  1.00  0.00           C  
HETATM    7  C   UNL     1       9.175  -0.627   1.936  1.00  0.00           C  
HETATM    8  C   UNL     1       6.763   0.016   2.040  1.00  0.00           C  
HETATM    9  C   UNL     1       7.468  -1.977   0.709  1.00  0.00           C  
HETATM   10  O   UNL     1       8.549  -2.570  -0.014  1.00  0.00           O  
HETATM   11  C   UNL     1       6.252  -1.903  -0.178  1.00  0.00           C  
HETATM   12  O   UNL     1       6.357  -2.107  -1.369  1.00  0.00           O  
HETATM   13  N   UNL     1       5.048  -1.610   0.352  1.00  0.00           N  
HETATM   14  C   UNL     1       3.849  -1.649  -0.488  1.00  0.00           C  
HETATM   15  C   UNL     1       2.625  -1.278   0.352  1.00  0.00           C  
HETATM   16  C   UNL     1       1.391  -1.318  -0.512  1.00  0.00           C  
HETATM   17  O   UNL     1       1.482  -1.613  -1.685  1.00  0.00           O  
HETATM   18  N   UNL     1       0.187  -1.025   0.018  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.012  -1.064  -0.823  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.236  -0.693   0.018  1.00  0.00           C  
HETATM   21  S   UNL     1      -3.721  -0.741  -1.023  1.00  0.00           S  
HETATM   22  C   UNL     1     -12.054  -0.447   0.613  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.363  -0.374   0.173  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.859   0.816  -0.325  1.00  0.00           C  
HETATM   25  C   UNL     1     -13.047   1.934  -0.383  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.738   1.861   0.057  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.242   0.670   0.556  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.816   0.591   1.036  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.908   0.186  -0.127  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.482   0.107   0.354  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.219   0.349   1.508  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.384  -0.275  -0.605  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.043  -0.281   0.132  1.00  0.00           C  
HETATM   34  H   UNL     1       6.620   2.967  -1.401  1.00  0.00           H  
HETATM   35  H   UNL     1       9.692   4.730  -0.241  1.00  0.00           H  
HETATM   36  H   UNL     1       7.113   0.365  -0.641  1.00  0.00           H  
HETATM   37  H   UNL     1       8.831  -0.094  -0.715  1.00  0.00           H  
HETATM   38  H   UNL     1       9.484   0.382   2.207  1.00  0.00           H  
HETATM   39  H   UNL     1       9.030  -1.217   2.841  1.00  0.00           H  
HETATM   40  H   UNL     1       9.946  -1.090   1.321  1.00  0.00           H  
HETATM   41  H   UNL     1       5.864   0.178   1.446  1.00  0.00           H  
HETATM   42  H   UNL     1       6.543  -0.680   2.849  1.00  0.00           H  
HETATM   43  H   UNL     1       7.098   0.965   2.458  1.00  0.00           H  
HETATM   44  H   UNL     1       7.242  -2.583   1.586  1.00  0.00           H  
HETATM   45  H   UNL     1       8.805  -2.083  -0.809  1.00  0.00           H  
HETATM   46  H   UNL     1       4.976  -1.374   1.290  1.00  0.00           H  
HETATM   47  H   UNL     1       3.956  -0.937  -1.307  1.00  0.00           H  
HETATM   48  H   UNL     1       3.721  -2.653  -0.894  1.00  0.00           H  
HETATM   49  H   UNL     1       2.518  -1.990   1.171  1.00  0.00           H  
HETATM   50  H   UNL     1       2.753  -0.275   0.757  1.00  0.00           H  
HETATM   51  H   UNL     1       0.115  -0.789   0.956  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.905  -0.352  -1.641  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.140  -2.067  -1.228  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.343  -1.405   0.837  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.108   0.311   0.423  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.668  -1.375   1.007  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.997  -1.247   0.218  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.881   0.873  -0.670  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.434   2.863  -0.772  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.104   2.733   0.012  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.506   1.564   1.417  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.741  -0.151   1.831  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.217  -0.787  -0.508  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.983   0.928  -0.921  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.582  -1.269  -1.007  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.347   0.447  -1.421  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.080  -1.003   0.948  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.845   0.712   0.534  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1   34                                                 
CONECT    3    1   35                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   36   37                                       
CONECT    6    5    7    8    9                                       
CONECT    7    6   38   39   40                                       
CONECT    8    6   41   42   43                                       
CONECT    9    6   10   11   44                                       
CONECT   10    9   45                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   46                                            
CONECT   14   13   15   47   48                                       
CONECT   15   14   16   49   50                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   51                                            
CONECT   19   18   20   52   53                                       
CONECT   20   19   21   54   55                                       
CONECT   21   20   33                                                 
CONECT   22   23   23   27   56                                       
CONECT   23   22   22   24   57                                       
CONECT   24   23   25   25   58                                       
CONECT   25   24   24   26   59                                       
CONECT   26   25   27   27   60                                       
CONECT   27   22   26   26   28                                       
CONECT   28   27   29   61   62                                       
CONECT   29   28   30   63   64                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   65   66                                       
CONECT   33   21   32   67   68                                       
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
