COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.968   1.734  -0.103  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.408   0.560   0.424  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.635   0.504   1.065  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.081  -0.690   1.602  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.307  -1.831   1.500  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.082  -1.783   0.861  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.630  -0.590   0.316  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.392  -0.541  -0.336  1.00  0.00           N  
HETATM    9  O   UNL     1       6.455  -0.731   1.389  1.00  0.00           O  
HETATM   10  P   UNL     1       5.095  -1.197   0.664  1.00  0.00           P  
HETATM   11  O   UNL     1       5.412  -1.737  -0.677  1.00  0.00           O  
HETATM   12  O   UNL     1       4.379  -2.337   1.547  1.00  0.00           O  
HETATM   13  O   UNL     1       4.107   0.066   0.514  1.00  0.00           O  
HETATM   14  C   UNL     1       2.861   0.000  -0.183  1.00  0.00           C  
HETATM   15  C   UNL     1       2.188   1.348  -0.136  1.00  0.00           C  
HETATM   16  C   UNL     1       2.790   2.408   0.516  1.00  0.00           C  
HETATM   17  N   UNL     1       2.210   3.591   0.564  1.00  0.00           N  
HETATM   18  C   UNL     1       0.961   1.540  -0.749  1.00  0.00           C  
HETATM   19  C   UNL     1       0.380   2.803  -0.684  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.826   3.037  -1.266  1.00  0.00           O  
HETATM   21  C   UNL     1       1.041   3.814  -0.002  1.00  0.00           C  
HETATM   22  C   UNL     1       0.423   5.186   0.077  1.00  0.00           C  
HETATM   23  C   UNL     1       0.273   0.410  -1.470  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.594  -0.315  -0.531  1.00  0.00           N  
HETATM   25  CA  UNL     1      -1.282  -1.426  -1.200  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.388  -2.639  -1.209  1.00  0.00           C  
HETATM   27  OXT UNL     1      -0.811  -3.781  -1.772  1.00  0.00           O  
HETATM   28  O   UNL     1       0.711  -2.583  -0.709  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.575  -1.752  -0.449  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.236   1.877  -1.021  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.243   1.393   1.147  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.038  -0.731   2.102  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.659  -2.761   1.920  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.478  -2.675   0.783  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.076   0.295  -0.714  1.00  0.00           H  
HETATM   36  H   UNL     1       7.098  -1.442   1.513  1.00  0.00           H  
HETATM   37  H   UNL     1       4.143  -2.052   2.440  1.00  0.00           H  
HETATM   38  H   UNL     1       3.040  -0.280  -1.221  1.00  0.00           H  
HETATM   39  H   UNL     1       2.219  -0.743   0.289  1.00  0.00           H  
HETATM   40  H   UNL     1       3.749   2.265   0.993  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.767   3.343  -2.182  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.210   5.249   0.962  1.00  0.00           H  
HETATM   43  H   UNL     1       1.212   5.936   0.140  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.179   5.366  -0.814  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.330   0.812  -2.285  1.00  0.00           H  
HETATM   46  H   UNL     1       1.021  -0.272  -1.874  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.255   0.310  -0.094  1.00  0.00           H  
HETATM   48  HA  UNL     1      -1.520  -1.142  -2.225  1.00  0.00           H  
HETATM   49  HXT UNL     1      -0.202  -4.532  -1.754  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.333  -2.121   0.548  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.130  -2.515  -0.994  1.00  0.00           H  
CONECT    1    2   30                                                 
CONECT    2    1    7    7    3                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    6    6    4   33                                       
CONECT    6    7    5    5   34                                       
CONECT    7    8    2    2    6                                       
CONECT    8   29    7   35                                            
CONECT    9   10   36                                                 
CONECT   10   13   11   11    9                                       
CONECT   10   12                                                      
CONECT   11   10   10                                                 
CONECT   12   10   37                                                 
CONECT   13   14   10                                                 
CONECT   14   15   13   38   39                                       
CONECT   15   18   18   16   14                                       
CONECT   16   17   17   15   40                                       
CONECT   17   21   16   16                                            
CONECT   18   19   23   15   15                                       
CONECT   19   20   21   21   18                                       
CONECT   20   19   41                                                 
CONECT   21   22   19   19   17                                       
CONECT   22   21   42   43   44                                       
CONECT   23   24   18   45   46                                       
CONECT   24   25   23   47                                            
CONECT   25   26   24   29   48                                       
CONECT   26   28   28   27   25                                       
CONECT   27   26   49                                                 
CONECT   28   26   26                                                 
CONECT   29   25    8   50   51                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
