COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.792  -1.383  -0.420  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.131   2.212   2.766  1.00  0.00           C  
HETATM    3  O   UNL     1       3.342  -3.297   0.286  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.559   0.899  -1.561  1.00  0.00           O  
HETATM    5  O   UNL     1      -1.409   3.161  -0.287  1.00  0.00           O  
HETATM    6  OXT UNL     1       1.278  -3.049   1.055  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.429  -1.856  -0.105  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.056  -1.360  -1.342  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.654  -1.599   1.012  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.908  -0.607  -1.469  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.503  -0.846   0.899  1.00  0.00           C  
HETATM   12  C   UNL     1       3.695   0.588  -1.429  1.00  0.00           C  
HETATM   13  N   UNL     1       1.302  -0.534  -0.030  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.132   0.715   0.611  1.00  0.00           N  
HETATM   15  O   UNL     1       0.712   1.641   1.763  1.00  0.00           O  
HETATM   16  S   UNL     1       2.605   1.763  -0.560  1.00  0.00           S  
HETATM   17  C   UNL     1       3.670  -0.701  -0.631  1.00  0.00           C  
HETATM   18  C   UNL     1       2.372  -2.582   0.427  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.889   0.463  -0.475  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.259   2.883  -0.044  1.00  0.00           C  
HETATM   21  CA  UNL     1       2.394  -1.189  -0.094  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.121  -0.344  -0.346  1.00  0.00           C  
HETATM   23  C   UNL     1       1.051   0.824  -0.486  1.00  0.00           C  
HETATM   24  C   UNL     1       0.089   1.514   0.483  1.00  0.00           C  
HETATM   25  H   UNL     1       5.706  -1.085  -0.912  1.00  0.00           H  
HETATM   26  H   UNL     1       4.791  -2.232   0.248  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.510   3.173   2.417  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.968   1.542   2.963  1.00  0.00           H  
HETATM   29  H   UNL     1       0.441   2.358   3.682  1.00  0.00           H  
HETATM   30  HXT UNL     1       1.311  -3.960   1.377  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.331  -2.442  -0.010  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.665  -1.565  -2.210  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.951  -1.988   1.975  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.618  -0.221  -2.435  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.899  -0.646   1.771  1.00  0.00           H  
HETATM   36  H   UNL     1       3.323   0.409  -2.437  1.00  0.00           H  
HETATM   37  H   UNL     1       4.710   0.982  -1.470  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.396   0.367   1.477  1.00  0.00           H  
HETATM   39  H   UNL     1       0.519   3.614  -0.203  1.00  0.00           H  
HETATM   40  H   UNL     1       0.600   0.794  -1.478  1.00  0.00           H  
CONECT    1   17   17   25   26                                       
CONECT    2   15   27   28   29                                       
CONECT    3   18   18                                                 
CONECT    4   19   19                                                 
CONECT    5   20   20                                                 
CONECT    6   18   30                                                 
CONECT    7    9    9    8   31                                       
CONECT    8    7   10   10   32                                       
CONECT    9    7    7   11   33                                       
CONECT   10    8    8   22   34                                       
CONECT   11    9   22   22   35                                       
CONECT   12   17   16   36   37                                       
CONECT   13   21   21   23                                            
CONECT   14   19   24   38                                            
CONECT   15    2   24                                                 
CONECT   16   12   23                                                 
CONECT   17    1    1   12   21                                       
CONECT   18    3    3    6   21                                       
CONECT   19    4    4   14   22                                       
CONECT   20    5    5   24   39                                       
CONECT   21   13   13   17   18                                       
CONECT   22   10   11   11   19                                       
CONECT   23   13   16   24   40                                       
CONECT   24   14   15   20   23                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
