COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.181   1.837   0.925  1.00  0.00           C  
HETATM    2  C   UNL     1       2.633   1.538   0.652  1.00  0.00           C  
HETATM    3  CA  UNL     1       5.041   1.258   0.405  1.00  0.00           C  
HETATM    4  C   UNL     1       5.945   0.128  -0.090  1.00  0.00           C  
HETATM    5  C   UNL     1       5.535  -1.185   0.580  1.00  0.00           C  
HETATM    6  C   UNL     1       5.522   2.570  -0.159  1.00  0.00           C  
HETATM    7  N   UNL     1      -9.234  -2.332  -0.138  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.145  -1.516   0.003  1.00  0.00           C  
HETATM    9  N   UNL     1      -8.236  -0.281  -0.491  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.249   0.583  -0.409  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.364   1.829  -0.917  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.976   0.126   0.279  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.870   0.260  -0.672  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.609   0.415  -0.221  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.390   0.444   0.974  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.591   0.538  -1.096  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.304   0.809  -0.634  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.192   0.300  -1.303  1.00  0.00           C  
HETATM   19  N   UNL     1       1.024   0.546  -0.872  1.00  0.00           N  
HETATM   20  CA  UNL     1       1.245   1.289   0.207  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.113   1.593   0.502  1.00  0.00           C  
HETATM   22  O   UNL     1       2.843   2.217   1.638  1.00  0.00           O  
HETATM   23  N   UNL     1       3.666   1.012  -0.036  1.00  0.00           N  
HETATM   24  C   UNL     1       6.426  -2.298   0.092  1.00  0.00           C  
HETATM   25  N   UNL     1       7.155  -3.136   0.852  1.00  0.00           N  
HETATM   26  N   UNL     1       7.768  -3.940   0.051  1.00  0.00           N  
HETATM   27  N   UNL     1       7.453  -3.639  -1.161  1.00  0.00           N  
HETATM   28  N   UNL     1       6.637  -2.642  -1.155  1.00  0.00           N  
HETATM   29  O   UNL     1       4.791   3.232  -0.858  1.00  0.00           O  
HETATM   30  OXT UNL     1       6.762   3.004   0.115  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.979  -1.297   0.805  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.011  -1.765   1.373  1.00  0.00           O  
HETATM   33  N   UNL     1      -7.089  -2.011   0.623  1.00  0.00           N  
HETATM   34  H   UNL     1       0.366   2.440   1.801  1.00  0.00           H  
HETATM   35  HA  UNL     1       5.072   1.297   1.494  1.00  0.00           H  
HETATM   36  H   UNL     1       5.846   0.031  -1.171  1.00  0.00           H  
HETATM   37  H   UNL     1       6.982   0.355   0.161  1.00  0.00           H  
HETATM   38  H   UNL     1       5.634  -1.088   1.661  1.00  0.00           H  
HETATM   39  H   UNL     1       4.499  -1.412   0.329  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.210  -3.237   0.212  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.030  -2.007  -0.587  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.187   2.101  -1.353  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.624   2.451  -0.846  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.784   0.795   1.117  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.044   0.237  -1.626  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.754   0.438  -2.047  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.333  -0.309  -2.184  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.956   2.001   1.041  1.00  0.00           H  
HETATM   49  H   UNL     1       3.498   0.470  -0.823  1.00  0.00           H  
HETATM   50  H   UNL     1       7.210  -3.135   1.821  1.00  0.00           H  
HETATM   51  HXT UNL     1       7.025   3.852  -0.270  1.00  0.00           H  
CONECT    1   21   21   20   34                                       
CONECT    2   20   23   22   22                                       
CONECT    3    4   23    6   35                                       
CONECT    4    5    3   36   37                                       
CONECT    5   24    4   38   39                                       
CONECT    6   29   29    3   30                                       
CONECT    7    8   40   41                                            
CONECT    8    9    7   33   33                                       
CONECT    9   10   10    8                                            
CONECT   10   11    9    9   12                                       
CONECT   11   10   42   43                                            
CONECT   12   10   13   31   44                                       
CONECT   13   12   14   45                                            
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   46                                            
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19   47                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19    1    2                                       
CONECT   21   17    1    1   48                                       
CONECT   22    2    2                                                 
CONECT   23    2    3   49                                            
CONECT   24   25   28   28    5                                       
CONECT   25   26   24   50                                            
CONECT   26   25   27   27                                            
CONECT   27   26   26   28                                            
CONECT   28   27   24   24                                            
CONECT   29    6    6                                                 
CONECT   30    6   51                                                 
CONECT   31   12   33   32   32                                       
CONECT   32   31   31                                                 
CONECT   33    8    8   31                                            
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
