COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.496   1.664  -0.472  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.847   0.519  -1.973  1.00  0.00           C  
HETATM    3  CA  UNL     1       0.070   2.750   0.910  1.00  0.00           C  
HETATM    4  N   UNL     1       4.497  -0.104   0.895  1.00  0.00           N  
HETATM    5  O   UNL     1       0.233  -3.838   2.206  1.00  0.00           O  
HETATM    6  P   UNL     1       0.166  -3.893   0.729  1.00  0.00           P  
HETATM    7  O   UNL     1       1.560  -3.379   0.109  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.103  -5.409   0.260  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.032  -2.950   0.210  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.138  -1.567   0.552  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.367  -0.982  -0.094  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.187  -1.771  -0.878  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.265  -1.270  -1.449  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.605  -0.005  -1.299  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.832   0.850  -0.526  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.187   2.153  -0.375  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.691   0.352   0.095  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.825   1.243   0.948  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.795   1.872   0.110  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.570   4.109   1.032  1.00  0.00           C  
HETATM   21  OXT UNL     1       0.045   5.081   1.724  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.636   4.325   0.506  1.00  0.00           O  
HETATM   23  C   UNL     1       1.431   2.887   0.225  1.00  0.00           C  
HETATM   24  C   UNL     1       2.134   1.528   0.213  1.00  0.00           C  
HETATM   25  CA  UNL     1       4.199   0.306  -0.484  1.00  0.00           C  
HETATM   26  C   UNL     1       5.483   0.412  -1.265  1.00  0.00           C  
HETATM   27  O   UNL     1       6.536   0.532  -0.684  1.00  0.00           O  
HETATM   28  OXT UNL     1       5.458   0.373  -2.607  1.00  0.00           O  
HETATM   29  H   UNL     1       3.354   2.010  -1.496  1.00  0.00           H  
HETATM   30  H   UNL     1       4.106   2.385   0.073  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.701   0.397  -1.306  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.716   1.575  -2.207  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.023  -0.038  -2.894  1.00  0.00           H  
HETATM   34  HA  UNL     1       0.204   2.322   1.903  1.00  0.00           H  
HETATM   35  H1  UNL     1       4.903  -1.027   0.918  1.00  0.00           H  
HETATM   36  H2  UNL     1       5.098   0.568   1.349  1.00  0.00           H  
HETATM   37  H   UNL     1       1.588  -3.388  -0.858  1.00  0.00           H  
HETATM   38  H   UNL     1       0.580  -6.034   0.538  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.213  -1.465   1.635  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.253  -1.036   0.199  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.942  -2.813  -1.026  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.766   2.317   0.382  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.441   2.016   1.408  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.347   0.648   1.726  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.212   2.377  -0.658  1.00  0.00           H  
HETATM   46  HXT UNL     1      -0.403   5.936   1.774  1.00  0.00           H  
HETATM   47  H   UNL     1       1.289   3.232  -0.799  1.00  0.00           H  
HETATM   48  H   UNL     1       2.041   3.607   0.770  1.00  0.00           H  
HETATM   49  H   UNL     1       1.524   0.808  -0.332  1.00  0.00           H  
HETATM   50  H   UNL     1       2.276   1.183   1.237  1.00  0.00           H  
HETATM   51  HA  UNL     1       3.550  -0.435  -0.951  1.00  0.00           H  
HETATM   52  HXT UNL     1       6.307   0.445  -3.064  1.00  0.00           H  
CONECT    1   24   25   29   30                                       
CONECT    2   14   31   32   33                                       
CONECT    3   20   23   19   34                                       
CONECT    4   25   35   36                                            
CONECT    5    6    6                                                 
CONECT    6    5    5    7    9                                       
CONECT    6    8                                                      
CONECT    7    6   37                                                 
CONECT    8    6   38                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   39   40                                       
CONECT   11   10   17   17   12                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12   14                                            
CONECT   14    2   13   15   15                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   42                                                 
CONECT   17   11   11   15   18                                       
CONECT   18   17   19   43   44                                       
CONECT   19    3   18   45                                            
CONECT   20    3   22   22   21                                       
CONECT   21   20   46                                                 
CONECT   22   20   20                                                 
CONECT   23    3   24   47   48                                       
CONECT   24    1   23   49   50                                       
CONECT   25    1    4   26   51                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   52                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
