COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.966   1.488   0.867  1.00  0.00           N  
HETATM    2  CA  UNL     1       4.004   0.513   0.507  1.00  0.00           C  
HETATM    3  C   UNL     1       5.287   1.238   0.190  1.00  0.00           C  
HETATM    4  O   UNL     1       5.262   2.412  -0.097  1.00  0.00           O  
HETATM    5  C   UNL     1       3.553  -0.283  -0.720  1.00  0.00           C  
HETATM    6  C   UNL     1       2.340  -1.104  -0.366  1.00  0.00           C  
HETATM    7  C   UNL     1       2.332  -2.387   0.027  1.00  0.00           C  
HETATM    8  C   UNL     1       0.946  -0.651  -0.382  1.00  0.00           C  
HETATM    9  N   UNL     1       1.046  -2.795   0.261  1.00  0.00           N  
HETATM   10  C   UNL     1       0.174  -1.755   0.019  1.00  0.00           C  
HETATM   11  C   UNL     1       0.325   0.561  -0.695  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.212  -1.627   0.100  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.034   0.672  -0.610  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.809  -0.415  -0.214  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.049   1.142   0.534  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.828   1.024  -0.342  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.202  -0.284  -0.132  1.00  0.00           N  
HETATM   18  O   UNL     1      -4.210   1.155  -1.712  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.046   1.898   1.476  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.140   0.408   0.267  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.975  -2.686   0.486  1.00  0.00           O  
HETATM   22  H1  UNL     1       2.796   2.132   0.108  1.00  0.00           H  
HETATM   23  H2  UNL     1       2.115   1.024   1.145  1.00  0.00           H  
HETATM   24  HA  UNL     1       4.168  -0.168   1.342  1.00  0.00           H  
HETATM   25  H   UNL     1       3.303   0.405  -1.528  1.00  0.00           H  
HETATM   26  H   UNL     1       4.358  -0.944  -1.040  1.00  0.00           H  
HETATM   27  H   UNL     1       3.209  -3.006   0.143  1.00  0.00           H  
HETATM   28  H   UNL     1       0.787  -3.683   0.554  1.00  0.00           H  
HETATM   29  H   UNL     1       0.919   1.409  -1.002  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.511   1.610  -0.853  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.119   1.811  -0.085  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.752  -1.059   0.063  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.841   0.486  -2.010  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.899   0.518   0.856  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.122  -2.738   1.441  1.00  0.00           H  
HETATM   36  OXT UNL     1       6.457   0.581   0.228  1.00  0.00           O  
HETATM   37  HXT UNL     1       7.252   1.089   0.018  1.00  0.00           H  
CONECT    1    2   22   23                                            
CONECT    2    5    1    3   24                                       
CONECT    3    2    4    4   36                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   25   26                                       
CONECT    6    8    7    7    5                                       
CONECT    7    9    6    6   27                                       
CONECT    8   10   10   11    6                                       
CONECT    9   10    7   28                                            
CONECT   10   12    8    8    9                                       
CONECT   11   13   13    8   29                                       
CONECT   12   21   14   14   10                                       
CONECT   13   14   11   11   30                                       
CONECT   14   17   12   12   13                                       
CONECT   15   19   19   20   16                                       
CONECT   16   15   18   17   31                                       
CONECT   17   16   14   32                                            
CONECT   18   16   33                                                 
CONECT   19   15   15                                                 
CONECT   20   15   34                                                 
CONECT   21   12   35                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   13                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36    3   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
