COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.901   0.456  -0.143  1.00  0.00           C  
HETATM    2  N   UNL     1       4.317  -0.943  -1.343  1.00  0.00           N  
HETATM    3  O   UNL     1       6.712  -0.422  -0.321  1.00  0.00           O  
HETATM    4  C   UNL     1       0.340  -1.577   0.023  1.00  0.00           C  
HETATM    5  C   UNL     1       1.692  -1.456   0.278  1.00  0.00           C  
HETATM    6  C   UNL     1       2.229  -0.221   0.594  1.00  0.00           C  
HETATM    7  C   UNL     1       1.415   0.895   0.657  1.00  0.00           C  
HETATM    8  C   UNL     1       0.062   0.780   0.405  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.480  -0.458   0.081  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.848  -0.577  -0.175  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.711   0.605  -0.114  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.152   0.202  -0.433  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.030   1.453  -0.492  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.471   1.050  -0.811  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.992   0.112   0.280  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.113  -1.139   0.338  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.672  -0.736   0.658  1.00  0.00           C  
HETATM   18  C   UNL     1       3.705  -0.092   0.870  1.00  0.00           C  
HETATM   19  CA  UNL     1       4.444   0.205  -0.437  1.00  0.00           C  
HETATM   20  H1  UNL     1       4.712  -1.775  -0.931  1.00  0.00           H  
HETATM   21  H2  UNL     1       3.355  -1.092  -1.607  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.079  -2.542  -0.223  1.00  0.00           H  
HETATM   23  H   UNL     1       2.330  -2.326   0.230  1.00  0.00           H  
HETATM   24  H   UNL     1       1.838   1.857   0.904  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.573   1.652   0.455  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.226  -1.443  -0.394  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.667   1.035   0.887  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.370   1.342  -0.841  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.181  -0.308  -1.396  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.001   1.964   0.471  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.659   2.122  -1.269  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.097   1.942  -0.853  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.501   0.540  -1.774  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.962   0.622   1.242  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.019  -0.175   0.052  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.484  -1.808   1.115  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.143  -1.649  -0.625  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.047  -1.628   0.699  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.643  -0.226   1.620  1.00  0.00           H  
HETATM   40  H   UNL     1       3.872   0.721   1.576  1.00  0.00           H  
HETATM   41  H   UNL     1       4.078  -1.024   1.294  1.00  0.00           H  
HETATM   42  HA  UNL     1       4.011   1.089  -0.906  1.00  0.00           H  
HETATM   43  OXT UNL     1       6.296   1.652   0.320  1.00  0.00           O  
HETATM   44  HXT UNL     1       7.240   1.764   0.497  1.00  0.00           H  
CONECT    1   19    3    3   43                                       
CONECT    2   19   20   21                                            
CONECT    3    1    1                                                 
CONECT    4    9    9    5   22                                       
CONECT    5    4    6    6   23                                       
CONECT    6    5    5    7   18                                       
CONECT    7    8    8    6   24                                       
CONECT    8    9    7    7   25                                       
CONECT    9   10    4    4    8                                       
CONECT   10   11    9   26                                            
CONECT   11   12   10   27   28                                       
CONECT   12   13   17   11   29                                       
CONECT   13   14   12   30   31                                       
CONECT   14   15   13   32   33                                       
CONECT   15   14   16   34   35                                       
CONECT   16   15   17   36   37                                       
CONECT   17   16   12   38   39                                       
CONECT   18    6   19   40   41                                       
CONECT   19   18    2    1   42                                       
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43    1   44                                                 
CONECT   44   43                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
