COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O2* UNL     1       7.267  -1.462   2.564  1.00  0.00           O  
HETATM    2  O   UNL     1      -5.146  -2.584  -2.984  1.00  0.00           O  
HETATM    3  CA  UNL     1      -2.853   5.270   0.274  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.929   3.759   0.044  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.732   3.310  -0.797  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.530   1.328  -1.495  1.00  0.00           C  
HETATM    7  C   UNL     1       0.496   1.444  -0.366  1.00  0.00           C  
HETATM    8  C   UNL     1       2.870   0.906   0.036  1.00  0.00           C  
HETATM    9  C   UNL     1       4.111   0.397  -0.380  1.00  0.00           C  
HETATM   10  C   UNL     1       5.835  -0.461  -1.378  1.00  0.00           C  
HETATM   11  C1* UNL     1       7.599  -0.314   0.420  1.00  0.00           C  
HETATM   12  C4* UNL     1       9.701  -1.152  -0.071  1.00  0.00           C  
HETATM   13  C5* UNL     1      10.332  -2.090  -1.102  1.00  0.00           C  
HETATM   14  C3* UNL     1       9.199  -1.965   1.139  1.00  0.00           C  
HETATM   15  C2* UNL     1       7.687  -1.645   1.211  1.00  0.00           C  
HETATM   16  C   UNL     1       5.179   0.422   0.533  1.00  0.00           C  
HETATM   17  C   UNL     1       3.797   1.388   2.095  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.886   1.558  -2.005  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.226   0.068  -1.933  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.549  -1.487  -0.883  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.183  -1.339  -2.284  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.293  -0.293  -2.990  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.195  -0.676   0.850  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.092  -2.536   1.513  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.816  -3.586   2.104  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.667  -5.081   0.773  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.138  -2.858   0.534  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.097   5.732   0.989  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.673   5.582   1.092  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.820   1.864  -1.042  1.00  0.00           N  
HETATM   31  N   UNL     1       1.782   0.908  -0.819  1.00  0.00           N  
HETATM   32  N   UNL     1       4.579  -0.154  -1.526  1.00  0.00           N  
HETATM   33  N   UNL     1       6.252  -0.126  -0.125  1.00  0.00           N  
HETATM   34  N   UNL     1       4.979   0.922   1.748  1.00  0.00           N  
HETATM   35  N   UNL     1       2.764   1.382   1.273  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.591  -1.665   0.132  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.073  -1.190   1.662  1.00  0.00           N  
HETATM   38  N   UNL     1      -8.763  -3.331   3.080  1.00  0.00           N  
HETATM   39  N   UNL     1      -7.569  -4.829   1.704  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.957  -4.132   0.201  1.00  0.00           N  
HETATM   41  O4* UNL     1       8.561  -0.489  -0.642  1.00  0.00           O  
HETATM   42  O5* UNL     1      10.897  -1.319  -2.164  1.00  0.00           O  
HETATM   43  O3* UNL     1       9.858  -1.541   2.334  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.842  -0.247  -0.665  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.677  -0.860  -4.149  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.066   5.945   2.178  1.00  0.00           O  
HETATM   47  OXT UNL     1      -5.238   5.908   0.304  1.00  0.00           O  
HETATM   48  H2* UNL     1       7.305  -2.267   3.099  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.531  -2.548  -3.871  1.00  0.00           H  
HETATM   50  HA  UNL     1      -2.775   5.780  -0.686  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.912   3.244   1.005  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.853   3.517  -0.481  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.737   3.841  -1.749  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.809   3.532  -0.262  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.185   1.894  -2.360  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.650   0.280  -1.772  1.00  0.00           H  
HETATM   57  H   UNL     1       0.615   2.491  -0.090  1.00  0.00           H  
HETATM   58  H   UNL     1       0.150   0.877   0.498  1.00  0.00           H  
HETATM   59  H   UNL     1       6.455  -0.915  -2.137  1.00  0.00           H  
HETATM   60  H1* UNL     1       7.876   0.528   1.054  1.00  0.00           H  
HETATM   61  H4* UNL     1      10.433  -0.414   0.256  1.00  0.00           H  
HETATM   62 H5*1 UNL     1      11.114  -2.680  -0.625  1.00  0.00           H  
HETATM   63 H5*2 UNL     1       9.568  -2.756  -1.503  1.00  0.00           H  
HETATM   64  H3* UNL     1       9.358  -3.031   0.975  1.00  0.00           H  
HETATM   65  H2* UNL     1       7.100  -2.425   0.725  1.00  0.00           H  
HETATM   66  H   UNL     1       3.668   1.787   3.090  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.549   1.805  -3.011  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.773   2.145  -1.765  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.328  -0.533  -2.079  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.856  -2.327  -0.865  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.209  -0.978  -2.203  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.877   0.587  -3.259  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.974   0.377   0.762  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.495  -6.107   0.481  1.00  0.00           H  
HETATM   75  H1  UNL     1      -1.722   5.120   1.988  1.00  0.00           H  
HETATM   76  H2  UNL     1      -0.823   5.340   0.607  1.00  0.00           H  
HETATM   77  H   UNL     1       1.871   0.555  -1.718  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.934  -2.419   3.364  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.256  -4.064   3.481  1.00  0.00           H  
HETATM   80  H5* UNL     1      11.315  -1.849  -2.856  1.00  0.00           H  
HETATM   81  H3* UNL     1      10.817  -1.664   2.320  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.302  -1.105  -4.846  1.00  0.00           H  
HETATM   83  HXT UNL     1      -5.989   6.277   0.790  1.00  0.00           H  
CONECT    1   15   48                                                 
CONECT    2   21   49                                                 
CONECT    3   28    4   29   50                                       
CONECT    4    5    3   51   52                                       
CONECT    5   30    4   53   54                                       
CONECT    6    7   30   55   56                                       
CONECT    7    6   31   57   58                                       
CONECT    8   35   31    9    9                                       
CONECT    9    8    8   16   32                                       
CONECT   10   32   32   33   59                                       
CONECT   11   41   33   15   60                                       
CONECT   12   41   13   14   61                                       
CONECT   13   42   12   62   63                                       
CONECT   14   12   15   43   64                                       
CONECT   15   11   14    1   65                                       
CONECT   16   34   34    9   33                                       
CONECT   17   35   35   34   66                                       
CONECT   18   19   30   67   68                                       
CONECT   19   44   22   18   69                                       
CONECT   20   44   36   21   70                                       
CONECT   21   20    2   22   71                                       
CONECT   22   21   19   45   72                                       
CONECT   23   36   37   37   73                                       
CONECT   24   27   27   25   37                                       
CONECT   25   39   39   24   38                                       
CONECT   26   40   40   39   74                                       
CONECT   27   40   36   24   24                                       
CONECT   28   46   46    3   47                                       
CONECT   29    3   75   76                                            
CONECT   30    6    5   18                                            
CONECT   31    7    8   77                                            
CONECT   32    9   10   10                                            
CONECT   33   16   10   11                                            
CONECT   34   17   16   16                                            
CONECT   35   17   17    8                                            
CONECT   36   27   20   23                                            
CONECT   37   24   23   23                                            
CONECT   38   25   78   79                                            
CONECT   39   26   25   25                                            
CONECT   40   26   26   27                                            
CONECT   41   11   12                                                 
CONECT   42   13   80                                                 
CONECT   43   14   81                                                 
CONECT   44   20   19                                                 
CONECT   45   22   82                                                 
CONECT   46   28   28                                                 
CONECT   47   28   83                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   26                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
CONECT   82   45                                                      
CONECT   83   47                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
