COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1       1.678   2.467   3.175  1.00  0.00           O  
HETATM    2  CA  UNL     1       2.629   0.846  -0.736  1.00  0.00           C  
HETATM    3  CB  UNL     1       3.588  -0.271  -1.153  1.00  0.00           C  
HETATM    4  CD  UNL     1       5.317  -1.853  -0.342  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.101   1.822  -0.640  1.00  0.00           C  
HETATM    6  CA  UNL     1      -3.547   0.450  -0.357  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.267   0.903   0.319  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.322   0.968   1.521  1.00  0.00           C  
HETATM    9  CA  UNL     1       1.078   1.364   1.049  1.00  0.00           C  
HETATM   10  C   UNL     1       1.978   1.548   2.244  1.00  0.00           C  
HETATM   11  CG  UNL     1       4.373  -0.753   0.069  1.00  0.00           C  
HETATM   12  C   UNL     1       1.946   1.404  -1.958  1.00  0.00           C  
HETATM   13  CB  UNL     1      -4.694  -0.501  -0.009  1.00  0.00           C  
HETATM   14  CG  UNL     1      -4.155  -1.899   0.153  1.00  0.00           C  
HETATM   15  CD2 UNL     1      -3.618  -2.428   1.269  1.00  0.00           C  
HETATM   16  CE1 UNL     1      -3.561  -3.969  -0.241  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.611   0.522   0.773  1.00  0.00           N  
HETATM   18  N   UNL     1       1.621   0.306   0.185  1.00  0.00           N  
HETATM   19  NE2 UNL     1      -3.263  -3.693   0.999  1.00  0.00           N  
HETATM   20  ND1 UNL     1      -4.124  -2.878  -0.804  1.00  0.00           N  
HETATM   21  OXT UNL     1      -4.982   1.998  -1.637  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.752   2.765   0.031  1.00  0.00           O  
HETATM   23  O   UNL     1       2.969   0.868   2.364  1.00  0.00           O  
HETATM   24  OE1 UNL     1       5.358  -2.215  -1.494  1.00  0.00           O  
HETATM   25  OE2 UNL     1       6.112  -2.431   0.572  1.00  0.00           O  
HETATM   26  O   UNL     1       0.742   1.357  -2.052  1.00  0.00           O  
HETATM   27  OXT UNL     1       2.675   1.953  -2.943  1.00  0.00           O  
HETATM   28  HXT UNL     1       2.285   2.548   3.923  1.00  0.00           H  
HETATM   29  HA  UNL     1       3.189   1.638  -0.239  1.00  0.00           H  
HETATM   30  HB1 UNL     1       3.019  -1.102  -1.570  1.00  0.00           H  
HETATM   31  HB2 UNL     1       4.281   0.107  -1.905  1.00  0.00           H  
HETATM   32  HA  UNL     1      -3.024   0.080  -1.239  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.309   1.879  -0.163  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.900   0.162  -0.391  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.689   1.709   2.232  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.281  -0.009   2.004  1.00  0.00           H  
HETATM   37  HA  UNL     1       1.022   2.297   0.489  1.00  0.00           H  
HETATM   38  HG1 UNL     1       4.942   0.078   0.485  1.00  0.00           H  
HETATM   39  HG2 UNL     1       3.679  -1.131   0.820  1.00  0.00           H  
HETATM   40  HB1 UNL     1      -5.161  -0.181   0.922  1.00  0.00           H  
HETATM   41  HB2 UNL     1      -5.433  -0.487  -0.810  1.00  0.00           H  
HETATM   42  HD2 UNL     1      -3.493  -1.922   2.215  1.00  0.00           H  
HETATM   43  HE1 UNL     1      -3.389  -4.914  -0.735  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.947   1.158   1.480  1.00  0.00           H  
HETATM   45  H   UNL     1       2.000  -0.450   0.735  1.00  0.00           H  
HETATM   46  HD1 UNL     1      -4.443  -2.800  -1.717  1.00  0.00           H  
HETATM   47  HXT UNL     1      -5.309   2.897  -1.780  1.00  0.00           H  
HETATM   48  HE2 UNL     1       6.701  -3.132   0.261  1.00  0.00           H  
HETATM   49  HXT UNL     1       2.192   2.297  -3.707  1.00  0.00           H  
CONECT    1   10   28                                                 
CONECT    2   18   12    3   29                                       
CONECT    3   11    2   30   31                                       
CONECT    4   24   24   11   25                                       
CONECT    5   22   22   21    6                                       
CONECT    6   13    5   17   32                                       
CONECT    7   17    8   33   34                                       
CONECT    8    7    9   35   36                                       
CONECT    9    8   18   10   37                                       
CONECT   10    9   23   23    1                                       
CONECT   11    4    3   38   39                                       
CONECT   12   26   26   27    2                                       
CONECT   13   14    6   40   41                                       
CONECT   14   20   13   15   15                                       
CONECT   15   14   14   19   42                                       
CONECT   16   20   19   19   43                                       
CONECT   17    6    7   44                                            
CONECT   18    9    2   45                                            
CONECT   19   16   16   15                                            
CONECT   20   16   14   46                                            
CONECT   21    5   47                                                 
CONECT   22    5    5                                                 
CONECT   23   10   10                                                 
CONECT   24    4    4                                                 
CONECT   25    4   48                                                 
CONECT   26   12   12                                                 
CONECT   27   12   49                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
