COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.295   5.741  -2.541  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.201   4.868  -1.698  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.022   5.207  -0.335  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.922   4.219   0.580  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.273   3.569  -2.053  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.170   2.604  -1.120  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.237   1.437  -1.454  1.00  0.00           O  
HETATM    8  N   UNL     1      -6.994   2.913   0.178  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.885   1.841   1.170  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.926   0.849   0.744  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.212   1.045   1.262  1.00  0.00           C  
HETATM   12  O   UNL     1      -9.117   1.666   2.178  1.00  0.00           O  
HETATM   13  C   UNL     1      -7.732  -0.324   1.803  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.923  -0.398   3.217  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.231  -0.362   1.456  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.933  -1.574   0.571  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.526  -1.658   0.336  1.00  0.00           O  
HETATM   18  P   UNL     1      -3.853  -2.816  -0.558  1.00  0.00           P  
HETATM   19  O   UNL     1      -4.253  -4.140  -0.031  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.348  -2.672  -2.083  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.250  -2.677  -0.498  1.00  0.00           O  
HETATM   22  P   UNL     1      -1.028  -3.648  -0.891  1.00  0.00           P  
HETATM   23  O   UNL     1      -1.350  -5.035  -0.487  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.790  -3.594  -2.483  1.00  0.00           O  
HETATM   25  O   UNL     1       0.307  -3.165  -0.132  1.00  0.00           O  
HETATM   26  C   UNL     1       1.541  -3.884  -0.193  1.00  0.00           C  
HETATM   27  O   UNL     1       2.313  -3.413  -1.298  1.00  0.00           O  
HETATM   28  C   UNL     1       2.617  -2.017  -1.246  1.00  0.00           C  
HETATM   29  C   UNL     1       3.418  -1.622  -2.488  1.00  0.00           C  
HETATM   30  C   UNL     1       3.443  -1.724   0.009  1.00  0.00           C  
HETATM   31  C   UNL     1       2.659  -2.177   1.245  1.00  0.00           C  
HETATM   32  O   UNL     1       3.453  -1.974   2.416  1.00  0.00           O  
HETATM   33  C   UNL     1       2.323  -3.665   1.105  1.00  0.00           C  
HETATM   34  O   UNL     1       1.529  -4.082   2.217  1.00  0.00           O  
HETATM   35  N   UNL     1       3.706  -0.285   0.097  1.00  0.00           N  
HETATM   36  C   UNL     1       4.923   0.151   0.101  1.00  0.00           C  
HETATM   37  C   UNL     1       5.188   1.600   0.190  1.00  0.00           C  
HETATM   38  C   UNL     1       4.133   2.523   0.276  1.00  0.00           C  
HETATM   39  O   UNL     1       2.843   2.100   0.275  1.00  0.00           O  
HETATM   40  C   UNL     1       4.432   3.876   0.363  1.00  0.00           C  
HETATM   41  C   UNL     1       3.313   4.881   0.457  1.00  0.00           C  
HETATM   42  C   UNL     1       6.498   2.094   0.196  1.00  0.00           C  
HETATM   43  C   UNL     1       6.700   3.456   0.280  1.00  0.00           C  
HETATM   44  N   UNL     1       5.682   4.291   0.365  1.00  0.00           N  
HETATM   45  C   UNL     1       7.670   1.151   0.112  1.00  0.00           C  
HETATM   46  O   UNL     1       8.887   1.901   0.136  1.00  0.00           O  
HETATM   47  P   UNL     1      10.341   1.215   0.063  1.00  0.00           P  
HETATM   48  O   UNL     1      11.476   2.342   0.246  1.00  0.00           O  
HETATM   49  O   UNL     1      10.467   0.209   1.141  1.00  0.00           O  
HETATM   50  O   UNL     1      10.524   0.496  -1.365  1.00  0.00           O  
HETATM   51  H   UNL     1      -6.966   6.241  -0.032  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.784   4.458   1.624  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.400   3.329  -2.984  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.613   2.247   2.144  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.670   0.937   0.279  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.962   1.205   2.270  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.260  -1.137   1.304  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.846  -0.321   3.494  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.641  -0.414   2.370  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.273  -2.481   1.071  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.454  -1.467  -0.381  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.120  -1.827  -2.493  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.574  -2.713  -2.818  1.00  0.00           H  
HETATM   64  H   UNL     1       1.336  -4.947  -0.319  1.00  0.00           H  
HETATM   65  H   UNL     1       1.691  -1.444  -1.213  1.00  0.00           H  
HETATM   66  H   UNL     1       4.345  -2.196  -2.520  1.00  0.00           H  
HETATM   67  H   UNL     1       2.830  -1.831  -3.381  1.00  0.00           H  
HETATM   68  H   UNL     1       3.651  -0.558  -2.447  1.00  0.00           H  
HETATM   69  H   UNL     1       4.388  -2.265  -0.041  1.00  0.00           H  
HETATM   70  H   UNL     1       1.738  -1.600   1.324  1.00  0.00           H  
HETATM   71  H   UNL     1       3.017  -2.240   3.237  1.00  0.00           H  
HETATM   72  H   UNL     1       3.245  -4.246   1.076  1.00  0.00           H  
HETATM   73  H   UNL     1       1.275  -5.015   2.192  1.00  0.00           H  
HETATM   74  H   UNL     1       5.746  -0.545   0.040  1.00  0.00           H  
HETATM   75  H   UNL     1       2.489   1.917   1.156  1.00  0.00           H  
HETATM   76  H   UNL     1       3.022   5.195  -0.545  1.00  0.00           H  
HETATM   77  H   UNL     1       2.459   4.428   0.959  1.00  0.00           H  
HETATM   78  H   UNL     1       3.651   5.748   1.025  1.00  0.00           H  
HETATM   79  H   UNL     1       7.707   3.844   0.286  1.00  0.00           H  
HETATM   80  H   UNL     1       7.648   0.467   0.960  1.00  0.00           H  
HETATM   81  H   UNL     1       7.613   0.582  -0.816  1.00  0.00           H  
HETATM   82  H   UNL     1      12.380   1.999   0.213  1.00  0.00           H  
HETATM   83  H   UNL     1      10.454   1.097  -2.120  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    5    1    1                                       
CONECT    3    4    4    2   51                                       
CONECT    4    8    3    3   52                                       
CONECT    5    6    2   53                                            
CONECT    6    8    7    7    5                                       
CONECT    7    6    6                                                 
CONECT    8    9    4    6                                            
CONECT    9   10   11    8   54                                       
CONECT   10   15    9                                                 
CONECT   11   13    9   12   55                                       
CONECT   12   11   56                                                 
CONECT   13   15   14   11   57                                       
CONECT   14   13   58                                                 
CONECT   15   16   10   13   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   18                                                 
CONECT   18   21   19   19   17                                       
CONECT   18   20                                                      
CONECT   19   18   18                                                 
CONECT   20   18   62                                                 
CONECT   21   22   18                                                 
CONECT   22   23   23   25   24                                       
CONECT   22   21                                                      
CONECT   23   22   22                                                 
CONECT   24   22   63                                                 
CONECT   25   26   22                                                 
CONECT   26   27   25   33   64                                       
CONECT   27   28   26                                                 
CONECT   28   29   30   27   65                                       
CONECT   29   28   66   67   68                                       
CONECT   30   35   28   31   69                                       
CONECT   31   30   32   33   70                                       
CONECT   32   31   71                                                 
CONECT   33   31   26   34   72                                       
CONECT   34   33   73                                                 
CONECT   35   36   36   30                                            
CONECT   36   37   35   35   74                                       
CONECT   37   38   38   42   36                                       
CONECT   38   40   39   37   37                                       
CONECT   39   38   75                                                 
CONECT   40   41   44   44   38                                       
CONECT   41   40   76   77   78                                       
CONECT   42   43   43   37   45                                       
CONECT   43   44   42   42   79                                       
CONECT   44   40   40   43                                            
CONECT   45   42   46   80   81                                       
CONECT   46   45   47                                                 
CONECT   47   46   49   49   48                                       
CONECT   47   50                                                      
CONECT   48   47   82                                                 
CONECT   49   47   47                                                 
CONECT   50   47   83                                                 
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   20                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   39                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   43                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   48                                                      
CONECT   83   50                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
