COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.795   2.320  -0.041  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.931   2.949   0.522  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.945   2.920  -0.387  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.542  -3.381  -0.597  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.581   0.863  -0.360  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.434  -2.966   0.104  1.00  0.00           C  
HETATM    7  CA  UNL     1      -1.601  -1.482   0.312  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.982  -1.049  -0.186  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.200   0.430   0.138  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.566  -0.765  -0.436  1.00  0.00           N  
HETATM   11  OXT UNL     1      -2.277  -3.825   0.698  1.00  0.00           O  
HETATM   12  N   UNL     1       4.441   0.215  -1.790  1.00  0.00           N  
HETATM   13  CA  UNL     1       4.073   0.990  -0.598  1.00  0.00           C  
HETATM   14  C   UNL     1       5.287   1.174   0.276  1.00  0.00           C  
HETATM   15  OXT UNL     1       5.314   2.157   1.190  1.00  0.00           O  
HETATM   16  C   UNL     1       2.992   0.241   0.184  1.00  0.00           C  
HETATM   17  C   UNL     1       1.716   0.163  -0.658  1.00  0.00           C  
HETATM   18  C   UNL     1       0.651  -0.574   0.111  1.00  0.00           C  
HETATM   19  O   UNL     1       0.889  -0.996   1.223  1.00  0.00           O  
HETATM   20  O   UNL     1       6.237   0.437   0.154  1.00  0.00           O  
HETATM   21  H   UNL     1      -6.035   3.857  -0.165  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.348   0.266   0.133  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.641   0.714  -1.438  1.00  0.00           H  
HETATM   24  HA  UNL     1      -1.509  -1.251   1.373  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.043  -1.198  -1.264  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.749  -1.646   0.307  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.432   1.027  -0.355  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.139   0.579   1.216  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.756  -0.427  -1.325  1.00  0.00           H  
HETATM   30  HXT UNL     1      -2.131  -4.767   0.535  1.00  0.00           H  
HETATM   31  H1  UNL     1       5.107   0.719  -2.357  1.00  0.00           H  
HETATM   32  H2  UNL     1       4.797  -0.693  -1.535  1.00  0.00           H  
HETATM   33  HA  UNL     1       3.693   1.965  -0.901  1.00  0.00           H  
HETATM   34  HXT UNL     1       6.114   2.236   1.727  1.00  0.00           H  
HETATM   35  H   UNL     1       3.339  -0.767   0.410  1.00  0.00           H  
HETATM   36  H   UNL     1       2.782   0.771   1.113  1.00  0.00           H  
HETATM   37  H   UNL     1       1.369   1.171  -0.885  1.00  0.00           H  
HETATM   38  H   UNL     1       1.926  -0.366  -1.587  1.00  0.00           H  
CONECT    1    5    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1   21                                                 
CONECT    4    6    6                                                 
CONECT    5    9    1   22   23                                       
CONECT    6    7    4    4   11                                       
CONECT    7    8   10    6   24                                       
CONECT    8    7    9   25   26                                       
CONECT    9    8    5   27   28                                       
CONECT   10    7   18   29                                            
CONECT   11    6   30                                                 
CONECT   12   13   31   32                                            
CONECT   13   12   14   16   33                                       
CONECT   14   20   20   13   15                                       
CONECT   15   14   34                                                 
CONECT   16   13   17   35   36                                       
CONECT   17   18   16   37   38                                       
CONECT   18   19   19   10   17                                       
CONECT   19   18   18                                                 
CONECT   20   14   14                                                 
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
