COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.857  -1.082  -0.104  1.00  0.00           C  
HETATM    2  C   UNL     1       3.458  -1.172   1.300  1.00  0.00           C  
HETATM    3  C   UNL     1       3.960  -0.754  -1.112  1.00  0.00           C  
HETATM    4  C   UNL     1       2.214  -2.422  -0.470  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.099  -1.228   1.020  1.00  0.00           N  
HETATM    6  CA  UNL     1      -2.655  -0.003   0.429  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.881   0.347  -0.843  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.457   0.687  -0.488  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.113   1.992  -0.190  1.00  0.00           C  
HETATM   10  C   UNL     1       1.192   2.306   0.136  1.00  0.00           C  
HETATM   11  C   UNL     1       2.158   1.311   0.165  1.00  0.00           C  
HETATM   12  O   UNL     1       3.442   1.617   0.487  1.00  0.00           O  
HETATM   13  C   UNL     1       1.810   0.001  -0.134  1.00  0.00           C  
HETATM   14  C   UNL     1       0.503  -0.308  -0.455  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.107  -0.224   0.090  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.535  -1.347  -0.031  1.00  0.00           O  
HETATM   17  H   UNL     1       4.215  -1.956   1.322  1.00  0.00           H  
HETATM   18  H   UNL     1       3.916  -0.218   1.561  1.00  0.00           H  
HETATM   19  H   UNL     1       2.672  -1.406   2.018  1.00  0.00           H  
HETATM   20  H   UNL     1       3.532  -0.690  -2.112  1.00  0.00           H  
HETATM   21  H   UNL     1       4.418   0.200  -0.851  1.00  0.00           H  
HETATM   22  H   UNL     1       4.717  -1.538  -1.090  1.00  0.00           H  
HETATM   23  H   UNL     1       2.971  -3.206  -0.448  1.00  0.00           H  
HETATM   24  H   UNL     1       1.428  -2.656   0.248  1.00  0.00           H  
HETATM   25  H   UNL     1       1.786  -2.358  -1.470  1.00  0.00           H  
HETATM   26  H1  UNL     1      -2.167  -2.003   0.377  1.00  0.00           H  
HETATM   27  H2  UNL     1      -1.144  -1.086   1.315  1.00  0.00           H  
HETATM   28  HA  UNL     1      -2.569   0.816   1.143  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.893  -0.507  -1.522  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.349   1.203  -1.329  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.865   2.767  -0.213  1.00  0.00           H  
HETATM   32  H   UNL     1       1.461   3.326   0.369  1.00  0.00           H  
HETATM   33  H   UNL     1       3.636   1.558   1.432  1.00  0.00           H  
HETATM   34  H   UNL     1       0.231  -1.328  -0.684  1.00  0.00           H  
HETATM   35  OXT UNL     1      -4.924   0.828  -0.077  1.00  0.00           O  
HETATM   36  HXT UNL     1      -5.847   0.637  -0.294  1.00  0.00           H  
CONECT    1    2   13    4    3                                       
CONECT    2    1   17   18   19                                       
CONECT    3    1   20   21   22                                       
CONECT    4    1   23   24   25                                       
CONECT    5    6   26   27                                            
CONECT    6    7   15    5   28                                       
CONECT    7    8    6   29   30                                       
CONECT    8    7    9    9   14                                       
CONECT    9    8    8   10   31                                       
CONECT   10    9   11   11   32                                       
CONECT   11   10   10   13   12                                       
CONECT   12   11   33                                                 
CONECT   13   14   14   11    1                                       
CONECT   14    8   13   13   34                                       
CONECT   15   16   16    6   35                                       
CONECT   16   15   15                                                 
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
