COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.456   1.330  -1.010  1.00  0.00           P  
HETATM    2  O   UNL     1       0.050   2.620  -0.490  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.026   1.464  -1.340  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.237   0.182   0.096  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.884  -0.474   2.559  1.00  0.00           O  
HETATM    6  P   UNL     1      -1.060   0.634   1.404  1.00  0.00           P  
HETATM    7  O   UNL     1      -2.494   0.768   1.063  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.498   2.049   1.929  1.00  0.00           O  
HETATM    9  O   UNL     1       0.343   0.941  -2.352  1.00  0.00           O  
HETATM   10  C   UNL     1       0.110   1.992  -3.291  1.00  0.00           C  
HETATM   11  C   UNL     1       0.846   1.683  -4.596  1.00  0.00           C  
HETATM   12  O   UNL     1       0.350   0.456  -5.174  1.00  0.00           O  
HETATM   13  C   UNL     1       0.548   2.767  -5.655  1.00  0.00           C  
HETATM   14  O   UNL     1       1.607   3.725  -5.704  1.00  0.00           O  
HETATM   15  C   UNL     1       0.465   1.982  -6.985  1.00  0.00           C  
HETATM   16  O   UNL     1       1.469   2.432  -7.896  1.00  0.00           O  
HETATM   17  C   UNL     1       0.720   0.516  -6.569  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.117  -0.390  -7.358  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.384  -0.791  -7.051  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.827  -1.597  -7.971  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.874  -1.761  -8.920  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.798  -2.504 -10.122  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.736  -3.189 -10.493  1.00  0.00           O  
HETATM   24  N   UNL     1       0.337  -2.432 -10.850  1.00  0.00           N  
HETATM   25  C   UNL     1       1.381  -1.667 -10.423  1.00  0.00           C  
HETATM   26  N   UNL     1       2.524  -1.617 -11.180  1.00  0.00           N  
HETATM   27  N   UNL     1       1.323  -0.973  -9.308  1.00  0.00           N  
HETATM   28  C   UNL     1       0.229  -0.991  -8.538  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.633  -0.018   3.687  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.508  -1.032   4.826  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.134  -1.176   5.177  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.309  -0.554   6.003  1.00  0.00           C  
HETATM   33  S   UNL     1      -3.858   0.233   5.713  1.00  0.00           S  
HETATM   34  C   UNL     1      -1.887  -0.698   7.250  1.00  0.00           C  
HETATM   35  S   UNL     1      -2.878  -0.111   8.583  1.00  0.00           S  
HETATM   36  C   UNL     1      -0.567  -1.365   7.541  1.00  0.00           C  
HETATM   37  N   UNL     1       0.399  -0.357   7.986  1.00  0.00           N  
HETATM   38  C   UNL     1       1.658  -0.455   7.746  1.00  0.00           C  
HETATM   39  C   UNL     1       2.647   0.552   8.222  1.00  0.00           C  
HETATM   40  O   UNL     1       2.303   1.531   8.860  1.00  0.00           O  
HETATM   41  N   UNL     1       3.933   0.332   7.916  1.00  0.00           N  
HETATM   42  C   UNL     1       4.315  -0.723   7.222  1.00  0.00           C  
HETATM   43  N   UNL     1       5.655  -0.867   6.967  1.00  0.00           N  
HETATM   44  N   UNL     1       3.490  -1.661   6.750  1.00  0.00           N  
HETATM   45  C   UNL     1       2.196  -1.596   6.957  1.00  0.00           C  
HETATM   46  N   UNL     1       1.314  -2.523   6.478  1.00  0.00           N  
HETATM   47  C   UNL     1      -0.075  -2.078   6.282  1.00  0.00           C  
HETATM   48  H   UNL     1      -2.316   0.605  -1.675  1.00  0.00           H  
HETATM   49  H   UNL     1       0.436   1.917   2.140  1.00  0.00           H  
HETATM   50  H   UNL     1       0.477   2.933  -2.881  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.958   2.074  -3.488  1.00  0.00           H  
HETATM   52  H   UNL     1       1.919   1.612  -4.418  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.400   3.259  -5.441  1.00  0.00           H  
HETATM   54  H   UNL     1       1.366   4.374  -6.379  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.525   2.085  -7.428  1.00  0.00           H  
HETATM   56  H   UNL     1       1.290   3.367  -8.069  1.00  0.00           H  
HETATM   57  H   UNL     1       1.773   0.264  -6.694  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.937  -0.485  -6.175  1.00  0.00           H  
HETATM   59  H   UNL     1       0.412  -2.932 -11.678  1.00  0.00           H  
HETATM   60  H   UNL     1       3.274  -1.075 -10.891  1.00  0.00           H  
HETATM   61  H   UNL     1       2.584  -2.128 -12.003  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.245   0.946   4.015  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.682   0.087   3.408  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.896  -1.994   4.494  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.685  -0.816   5.859  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.861   0.495   7.895  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.704  -2.104   8.329  1.00  0.00           H  
HETATM   68  H   UNL     1       6.284  -0.205   7.293  1.00  0.00           H  
HETATM   69  H   UNL     1       5.973  -1.630   6.460  1.00  0.00           H  
HETATM   70  H   UNL     1       1.590  -3.430   6.277  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.709  -2.942   6.081  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    9                                                      
CONECT    2    1    1                                                 
CONECT    3    1   48                                                 
CONECT    4    1    6                                                 
CONECT    5    6   29                                                 
CONECT    6    4    5    7    7                                       
CONECT    6    8                                                      
CONECT    7    6    6                                                 
CONECT    8    6   49                                                 
CONECT    9    1   10                                                 
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   13   52                                       
CONECT   12   11   17                                                 
CONECT   13   11   14   15   53                                       
CONECT   14   13   54                                                 
CONECT   15   13   16   17   55                                       
CONECT   16   15   56                                                 
CONECT   17   12   15   18   57                                       
CONECT   18   17   19   28                                            
CONECT   19   18   20   20   58                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   28   28                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   59                                            
CONECT   25   24   26   27   27                                       
CONECT   26   25   60   61                                            
CONECT   27   25   25   28                                            
CONECT   28   18   21   21   27                                       
CONECT   29    5   30   62   63                                       
CONECT   30   29   31   32   64                                       
CONECT   31   30   47                                                 
CONECT   32   30   33   34   34                                       
CONECT   33   32   65                                                 
CONECT   34   32   32   35   36                                       
CONECT   35   34   66                                                 
CONECT   36   34   37   47   67                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   39   45                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   42                                            
CONECT   42   41   41   43   44                                       
CONECT   43   42   68   69                                            
CONECT   44   42   45   45                                            
CONECT   45   38   44   44   46                                       
CONECT   46   45   47   70                                            
CONECT   47   31   36   46   71                                       
CONECT   48    3                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   43                                                      
CONECT   69   43                                                      
CONECT   70   46                                                      
CONECT   71   47                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
