COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.545  -4.119   1.319  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.655  -0.106   1.318  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.401  -2.152   0.966  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.913  -1.651   2.175  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.761  -2.476   2.930  1.00  0.00           C  
HETATM    6  N   UNL     1       8.808  -4.636  -3.650  1.00  0.00           N  
HETATM    7  C   UNL     1       8.634  -4.468  -2.287  1.00  0.00           C  
HETATM    8  N   UNL     1       9.075  -5.381  -1.428  1.00  0.00           N  
HETATM    9  C   UNL     1       8.913  -5.229  -0.126  1.00  0.00           C  
HETATM   10  N   UNL     1       8.314  -4.179   0.394  1.00  0.00           N  
HETATM   11  C   UNL     1       7.841  -3.213  -0.388  1.00  0.00           C  
HETATM   12  C   UNL     1       7.993  -3.325  -1.780  1.00  0.00           C  
HETATM   13  N   UNL     1       7.431  -2.224  -2.333  1.00  0.00           N  
HETATM   14  C   UNL     1       6.955  -1.462  -1.391  1.00  0.00           C  
HETATM   15  N   UNL     1       7.187  -2.027  -0.173  1.00  0.00           N  
HETATM   16  C   UNL     1       6.806  -1.470   1.128  1.00  0.00           C  
HETATM   17  O   UNL     1       5.775  -0.472   0.971  1.00  0.00           O  
HETATM   18  C   UNL     1       7.985  -0.677   1.748  1.00  0.00           C  
HETATM   19  O   UNL     1       8.851  -1.543   2.483  1.00  0.00           O  
HETATM   20  C   UNL     1       7.253   0.306   2.694  1.00  0.00           C  
HETATM   21  O   UNL     1       7.258  -0.192   4.034  1.00  0.00           O  
HETATM   22  C   UNL     1       5.815   0.361   2.142  1.00  0.00           C  
HETATM   23  C   UNL     1       5.457   1.801   1.769  1.00  0.00           C  
HETATM   24  O   UNL     1       4.091   1.859   1.353  1.00  0.00           O  
HETATM   25  P   UNL     1       3.373   3.223   0.887  1.00  0.00           P  
HETATM   26  O   UNL     1       4.154   3.843  -0.206  1.00  0.00           O  
HETATM   27  O   UNL     1       3.294   4.240   2.133  1.00  0.00           O  
HETATM   28  O   UNL     1       1.885   2.896   0.366  1.00  0.00           O  
HETATM   29  P   UNL     1       0.833   3.673  -0.573  1.00  0.00           P  
HETATM   30  O   UNL     1       1.428   3.884  -1.911  1.00  0.00           O  
HETATM   31  S   UNL     1       0.363   5.549   0.296  1.00  0.00           S  
HETATM   32  O   UNL     1      -0.509   2.795  -0.715  1.00  0.00           O  
HETATM   33  P   UNL     1      -1.903   3.002  -1.493  1.00  0.00           P  
HETATM   34  O   UNL     1      -2.801   4.083  -0.708  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.635   3.487  -2.865  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.691   1.600  -1.564  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.915   1.430  -2.282  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.391  -0.017  -2.143  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.752  -0.284  -0.777  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.652  -0.238  -3.001  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.419  -1.252  -3.981  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.725  -0.703  -1.987  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.517  -1.760  -2.531  1.00  0.00           O  
HETATM   44  C   UNL     1      -8.694  -1.316  -3.208  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.858  -1.212  -0.807  1.00  0.00           C  
HETATM   46  N   UNL     1      -6.611  -1.156   0.448  1.00  0.00           N  
HETATM   47  N   UNL     1      -7.420  -0.398   2.329  1.00  0.00           N1+
HETATM   48  C   UNL     1      -7.701   0.489   3.460  1.00  0.00           C  
HETATM   49  N   UNL     1      -7.738  -3.377   0.578  1.00  0.00           N  
HETATM   50  N   UNL     1      -8.873  -5.392   0.882  1.00  0.00           N  
HETATM   51  N   UNL     1      -9.046  -3.686   2.469  1.00  0.00           N  
HETATM   52  O   UNL     1      -9.282  -2.042   4.103  1.00  0.00           O  
HETATM   53  H   UNL     1      -6.132   0.830   1.186  1.00  0.00           H  
HETATM   54  H   UNL     1       9.256  -5.427  -3.988  1.00  0.00           H  
HETATM   55  H   UNL     1       8.482  -3.963  -4.267  1.00  0.00           H  
HETATM   56  H   UNL     1       9.286  -5.996   0.537  1.00  0.00           H  
HETATM   57  H   UNL     1       6.453  -0.519  -1.552  1.00  0.00           H  
HETATM   58  H   UNL     1       6.479  -2.261   1.802  1.00  0.00           H  
HETATM   59  H   UNL     1       8.538  -0.137   0.979  1.00  0.00           H  
HETATM   60  H   UNL     1       9.604  -1.094   2.890  1.00  0.00           H  
HETATM   61  H   UNL     1       7.716   1.291   2.653  1.00  0.00           H  
HETATM   62  H   UNL     1       8.143  -0.301   4.409  1.00  0.00           H  
HETATM   63  H   UNL     1       5.117  -0.015   2.889  1.00  0.00           H  
HETATM   64  H   UNL     1       5.600   2.447   2.635  1.00  0.00           H  
HETATM   65  H   UNL     1       6.099   2.136   0.955  1.00  0.00           H  
HETATM   66  H   UNL     1       2.795   3.898   2.888  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.160   5.208   1.487  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.016   3.831   0.201  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.671   2.102  -1.876  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.753   1.660  -3.335  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.602  -0.699  -2.458  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.958   0.691  -3.481  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.755  -1.014  -4.643  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.354   0.132  -1.676  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.328  -0.764  -2.513  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.413  -0.666  -4.037  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.241  -2.178  -3.592  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.504  -2.225  -1.000  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.582   1.093   3.238  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.886  -0.108   4.353  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.846   1.143   3.631  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.513  -5.725   0.046  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.464  -5.949   1.413  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.133  -1.591   4.013  1.00  0.00           H  
CONECT    1   51   51   49   50                                       
CONECT    2   47   47   46   53                                       
CONECT    3   46    4   49   49                                       
CONECT    4   47    5    5    3                                       
CONECT    5   52    4    4   51                                       
CONECT    6    7   54   55                                            
CONECT    7    8    8   12    6                                       
CONECT    8    9    7    7                                            
CONECT    9   10   10    8   56                                       
CONECT   10    9    9   11                                            
CONECT   11   10   15   12   12                                       
CONECT   12   11   11    7   13                                       
CONECT   13   12   14   14                                            
CONECT   14   15   13   13   57                                       
CONECT   15   16   11   14                                            
CONECT   16   17   15   18   58                                       
CONECT   17   16   22                                                 
CONECT   18   16   19   20   59                                       
CONECT   19   18   60                                                 
CONECT   20   22   21   18   61                                       
CONECT   21   20   62                                                 
CONECT   22   17   20   23   63                                       
CONECT   23   22   24   64   65                                       
CONECT   24   25   23                                                 
CONECT   25   26   26   28   27                                       
CONECT   25   24                                                      
CONECT   26   25   25                                                 
CONECT   27   25   66                                                 
CONECT   28   29   25                                                 
CONECT   29   32   28   31   30                                       
CONECT   29   30                                                      
CONECT   30   29   29                                                 
CONECT   31   29   67                                                 
CONECT   32   33   29                                                 
CONECT   33   35   35   36   32                                       
CONECT   33   34                                                      
CONECT   34   33   68                                                 
CONECT   35   33   33                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38   69   70                                       
CONECT   38   37   40   39   71                                       
CONECT   39   38   45                                                 
CONECT   40   41   42   38   72                                       
CONECT   41   40   73                                                 
CONECT   42   40   43   45   74                                       
CONECT   43   44   42                                                 
CONECT   44   43   75   76   77                                       
CONECT   45   42   46   39   78                                       
CONECT   46    2   45    3                                            
CONECT   47   48    2    2    4                                       
CONECT   48   47   79   80   81                                       
CONECT   49    3    3    1                                            
CONECT   50    1   82   83                                            
CONECT   51    5    1    1                                            
CONECT   52    5   84                                                 
CONECT   53    2                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    9                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   27                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   48                                                      
CONECT   80   48                                                      
CONECT   81   48                                                      
CONECT   82   50                                                      
CONECT   83   50                                                      
CONECT   84   52                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
