COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.945  -0.313  -5.517  1.00  0.00           N  
HETATM    2  CA  UNL     1       1.492  -0.386  -5.721  1.00  0.00           C  
HETATM    3  C   UNL     1       0.992   0.931  -6.254  1.00  0.00           C  
HETATM    4  O   UNL     1       1.559   1.956  -5.958  1.00  0.00           O  
HETATM    5  OXT UNL     1      -0.083   0.965  -7.056  1.00  0.00           O  
HETATM    6  C   UNL     1       0.816  -0.686  -4.408  1.00  0.00           C  
HETATM    7  C   UNL     1       0.051  -1.830  -4.271  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.570  -2.107  -3.069  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.425  -1.237  -1.998  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.035  -1.508  -0.814  1.00  0.00           O  
HETATM   11  C   UNL     1       0.342  -0.090  -2.138  1.00  0.00           C  
HETATM   12  C   UNL     1       0.965   0.179  -3.340  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.593  -0.515   0.114  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.980  -0.939   1.533  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.500  -1.111   1.608  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.164   0.176   1.109  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.613   0.516  -0.278  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.295   1.783  -0.798  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.566   0.064   2.462  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.892  -1.360   2.959  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.578  -0.011   1.029  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.206   0.733  -0.199  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.788   2.098  -2.096  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.074  -0.619   3.616  1.00  0.00           C  
HETATM   25  C   UNL     1       0.138   0.385   4.751  1.00  0.00           C  
HETATM   26  C   UNL     1       1.132   1.456   4.292  1.00  0.00           C  
HETATM   27  C   UNL     1       2.403   0.761   3.790  1.00  0.00           C  
HETATM   28  C   UNL     1       2.020  -0.271   2.728  1.00  0.00           C  
HETATM   29  C   UNL     1       3.287  -0.946   2.198  1.00  0.00           C  
HETATM   30  O   UNL     1       0.658  -0.289   5.898  1.00  0.00           O  
HETATM   31  O   UNL     1       1.455   2.315   5.387  1.00  0.00           O  
HETATM   32  O   UNL     1       3.285   1.730   3.220  1.00  0.00           O  
HETATM   33  O   UNL     1       1.161  -1.256   3.299  1.00  0.00           O  
HETATM   34  O   UNL     1       2.945  -1.821   1.121  1.00  0.00           O  
HETATM   35  H1  UNL     1       3.107   0.428  -4.852  1.00  0.00           H  
HETATM   36  H2  UNL     1       3.218  -1.173  -5.066  1.00  0.00           H  
HETATM   37  HA  UNL     1       1.265  -1.177  -6.436  1.00  0.00           H  
HETATM   38  HXT UNL     1      -0.404   1.811  -7.398  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.060  -2.507  -5.105  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.167  -3.000  -2.963  1.00  0.00           H  
HETATM   41  H   UNL     1       0.455   0.588  -1.306  1.00  0.00           H  
HETATM   42  H   UNL     1       1.564   1.071  -3.450  1.00  0.00           H  
HETATM   43  H   UNL     1       0.489  -0.415   0.048  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.493  -1.883   1.775  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.805  -1.947   0.978  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.943   0.991   1.798  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.815  -0.309  -0.960  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.371   1.618  -0.858  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.092   2.610  -0.117  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.855  -1.449   2.959  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.953   0.818   0.705  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.243   2.901  -2.386  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.799  -1.371   3.929  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.812   0.854   5.004  1.00  0.00           H  
HETATM   55  H   UNL     1       0.692   2.041   3.485  1.00  0.00           H  
HETATM   56  H   UNL     1       2.898   0.262   4.623  1.00  0.00           H  
HETATM   57  H   UNL     1       1.505   0.227   1.907  1.00  0.00           H  
HETATM   58  H   UNL     1       3.982  -0.185   1.841  1.00  0.00           H  
HETATM   59  H   UNL     1       3.755  -1.519   2.997  1.00  0.00           H  
HETATM   60  H   UNL     1       0.003  -0.953   6.153  1.00  0.00           H  
HETATM   61  H   UNL     1       0.629   2.730   5.670  1.00  0.00           H  
HETATM   62  H   UNL     1       3.500   2.359   3.921  1.00  0.00           H  
HETATM   63  H   UNL     1       3.769  -2.225   0.817  1.00  0.00           H  
CONECT    1    2   35   36                                            
CONECT    2    1    3    6   37                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   38                                                 
CONECT    6    2    7    7   12                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9   13                                                 
CONECT   11    9   12   12   41                                       
CONECT   12    6   11   11   42                                       
CONECT   13   10   14   22   43                                       
CONECT   14   13   15   19   44                                       
CONECT   15   14   16   20   45                                       
CONECT   16   15   17   21   46                                       
CONECT   17   16   18   22   47                                       
CONECT   18   17   23   48   49                                       
CONECT   19   14   24                                                 
CONECT   20   15   50                                                 
CONECT   21   16   51                                                 
CONECT   22   13   17                                                 
CONECT   23   18   52                                                 
CONECT   24   19   25   33   53                                       
CONECT   25   24   26   30   54                                       
CONECT   26   25   27   31   55                                       
CONECT   27   26   28   32   56                                       
CONECT   28   27   29   33   57                                       
CONECT   29   28   34   58   59                                       
CONECT   30   25   60                                                 
CONECT   31   26   61                                                 
CONECT   32   27   62                                                 
CONECT   33   24   28                                                 
CONECT   34   29   63                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
