COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.219   2.873  -0.101  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.983   0.787   1.122  1.00  0.00           N  
HETATM    3  OXT UNL     1      -3.793   4.109  -0.405  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.246   1.850   0.426  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.459   1.246  -0.740  1.00  0.00           C  
HETATM    6  O   UNL     1       4.158   0.890   2.174  1.00  0.00           O  
HETATM    7  O   UNL     1       0.950  -2.589   1.159  1.00  0.00           O  
HETATM    8  O   UNL     1       0.025   1.602   0.105  1.00  0.00           O  
HETATM    9  O   UNL     1       5.960   1.440   0.995  1.00  0.00           O  
HETATM   10  C   UNL     1       3.320  -0.388  -2.336  1.00  0.00           C  
HETATM   11  C   UNL     1       2.374  -0.476  -1.394  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.781  -3.430   0.307  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.291  -1.637  -0.550  1.00  0.00           C  
HETATM   14  C   UNL     1       1.835  -0.060   1.050  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.375  -3.367  -0.285  1.00  0.00           S  
HETATM   16  S   UNL     1       4.764   0.256  -1.694  1.00  0.00           S  
HETATM   17  C   UNL     1       4.718   0.924   1.094  1.00  0.00           C  
HETATM   18  C   UNL     1       2.752  -0.043  -0.146  1.00  0.00           C  
HETATM   19  C   UNL     1       4.043   0.404  -0.097  1.00  0.00           C  
HETATM   20  C   UNL     1       0.156  -1.774   0.730  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.354   0.449   0.164  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.201  -2.194   0.307  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.094  -1.155  -0.196  1.00  0.00           C  
HETATM   24  N   UNL     1       0.494  -0.476   0.632  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.600   0.169  -0.243  1.00  0.00           N  
HETATM   26  O   UNL     1      -5.382   2.582  -0.247  1.00  0.00           O  
HETATM   27  H1  UNL     1      -4.629   0.327   0.499  1.00  0.00           H  
HETATM   28  H2  UNL     1      -3.349   0.122   1.540  1.00  0.00           H  
HETATM   29  HXT UNL     1      -4.455   4.732  -0.735  1.00  0.00           H  
HETATM   30  HA  UNL     1      -2.556   2.329   1.120  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.154   0.845  -1.478  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.844   2.018  -1.201  1.00  0.00           H  
HETATM   33  H   UNL     1       6.364   1.770   1.809  1.00  0.00           H  
HETATM   34  H   UNL     1       3.189  -0.688  -3.365  1.00  0.00           H  
HETATM   35  H   UNL     1       1.385  -0.859  -1.599  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.292  -4.332   0.644  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.098  -1.039  -0.947  1.00  0.00           H  
HETATM   38  H   UNL     1       2.218  -0.761   1.792  1.00  0.00           H  
HETATM   39  H   UNL     1       1.786   0.939   1.485  1.00  0.00           H  
CONECT    1    4   26   26    3                                       
CONECT    2    4   27   28                                            
CONECT    3    1   29                                                 
CONECT    4    1    2    5   30                                       
CONECT    5    4   25   31   32                                       
CONECT    6   17   17                                                 
CONECT    7   20   20                                                 
CONECT    8   21   21                                                 
CONECT    9   17   33                                                 
CONECT   10   11   11   16   34                                       
CONECT   11   10   10   18   35                                       
CONECT   12   15   22   22   36                                       
CONECT   13   15   23   23   37                                       
CONECT   14   24   18   38   39                                       
CONECT   15   12   13                                                 
CONECT   16   10   19                                                 
CONECT   17    6    6    9   19                                       
CONECT   18   11   14   19   19                                       
CONECT   19   16   17   18   18                                       
CONECT   20    7    7   22   24                                       
CONECT   21    8    8   24   25                                       
CONECT   22   12   12   20   23                                       
CONECT   23   13   13   22   25                                       
CONECT   24   14   20   21                                            
CONECT   25    5   21   23                                            
CONECT   26    1    1                                                 
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
