COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -3.333  -0.734   1.542  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.318  -1.528   0.762  1.00  0.00           C  
HETATM    3  CA  UNL     1      -0.149  -1.741  -0.329  1.00  0.00           C  
HETATM    4  C   UNL     1       0.825  -0.871  -1.139  1.00  0.00           C  
HETATM    5  CA  UNL     1       3.324  -1.136  -0.183  1.00  0.00           C  
HETATM    6  C   UNL     1       3.944  -1.424  -1.526  1.00  0.00           C  
HETATM    7  C   UNL     1       3.571   0.305   0.185  1.00  0.00           C  
HETATM    8  C   UNL     1       4.464   0.616   1.194  1.00  0.00           C  
HETATM    9  C   UNL     1       4.692   1.936   1.533  1.00  0.00           C  
HETATM   10  C   UNL     1       4.023   2.949   0.861  1.00  0.00           C  
HETATM   11  C   UNL     1       3.128   2.634  -0.151  1.00  0.00           C  
HETATM   12  C   UNL     1       2.908   1.313  -0.490  1.00  0.00           C  
HETATM   13  C   UNL     1       1.053  -2.165   0.491  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.075   0.188   0.609  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.722   1.523   0.533  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.400   2.371  -0.322  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.435   1.881  -1.105  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.787   0.542  -1.027  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.103  -0.303  -0.175  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.286  -1.651   2.182  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.137  -0.970   0.430  1.00  0.00           N  
HETATM   22  N   UNL     1       1.882  -1.383  -0.248  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.563  -2.669   0.433  1.00  0.00           O  
HETATM   24  O   UNL     1       3.253  -1.798  -2.443  1.00  0.00           O  
HETATM   25  OXT UNL     1       5.266  -1.266  -1.703  1.00  0.00           O  
HETATM   26  O   UNL     1       4.245   4.248   1.193  1.00  0.00           O  
HETATM   27  O   UNL     1       1.212  -2.909   1.436  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.104   2.713  -1.946  1.00  0.00           O  
HETATM   29  HA  UNL     1      -2.826  -0.146   2.306  1.00  0.00           H  
HETATM   30  HA  UNL     1      -0.594  -2.553  -0.905  1.00  0.00           H  
HETATM   31  H   UNL     1       0.936  -1.186  -2.176  1.00  0.00           H  
HETATM   32  H   UNL     1       0.646   0.199  -1.036  1.00  0.00           H  
HETATM   33  HA  UNL     1       3.771  -1.785   0.570  1.00  0.00           H  
HETATM   34  H   UNL     1       4.984  -0.173   1.717  1.00  0.00           H  
HETATM   35  H   UNL     1       5.389   2.178   2.321  1.00  0.00           H  
HETATM   36  H   UNL     1       2.606   3.421  -0.675  1.00  0.00           H  
HETATM   37  H   UNL     1       2.214   1.067  -1.280  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.916   1.904   1.143  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.124   3.413  -0.380  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.593   0.159  -1.635  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.373  -1.347  -0.117  1.00  0.00           H  
HETATM   42  H1  UNL     1      -4.769  -2.208   1.494  1.00  0.00           H  
HETATM   43  H2  UNL     1      -3.823  -2.237   2.861  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.941  -0.057   0.693  1.00  0.00           H  
HETATM   45  HXT UNL     1       5.617  -1.463  -2.582  1.00  0.00           H  
HETATM   46  H   UNL     1       4.964   4.663   0.698  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.722   2.766  -2.833  1.00  0.00           H  
CONECT    1   20    2   14   29                                       
CONECT    2    1   23   23   21                                       
CONECT    3   21    4   13   30                                       
CONECT    4    3   22   31   32                                       
CONECT    5   22    6    7   33                                       
CONECT    6    5   24   24   25                                       
CONECT    7    5    8    8   12                                       
CONECT    8    7    7    9   34                                       
CONECT    9    8   10   10   35                                       
CONECT   10    9    9   26   11                                       
CONECT   11   10   12   12   36                                       
CONECT   12    7   11   11   37                                       
CONECT   13    3   27   27   22                                       
CONECT   14    1   15   15   19                                       
CONECT   15   14   14   16   38                                       
CONECT   16   15   17   17   39                                       
CONECT   17   16   16   28   18                                       
CONECT   18   17   19   19   40                                       
CONECT   19   14   18   18   41                                       
CONECT   20    1   42   43                                            
CONECT   21    2    3   44                                            
CONECT   22    4    5   13                                            
CONECT   23    2    2                                                 
CONECT   24    6    6                                                 
CONECT   25    6   45                                                 
CONECT   26   10   46                                                 
CONECT   27   13   13                                                 
CONECT   28   17   47                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
