COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.160  -0.664  -1.519  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.092  -0.823  -0.060  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.227  -3.066  -0.310  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.424  -1.371   0.456  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.512  -0.357   0.215  1.00  0.00           C  
HETATM    6  S   UNL     1      -3.985   0.909   1.341  1.00  0.00           S  
HETATM    7  C   UNL     1      -5.213   1.487   0.221  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.201   0.737  -0.882  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.260  -0.278  -0.887  1.00  0.00           C  
HETATM   10  C   UNL     1       0.032  -1.798   0.296  1.00  0.00           C  
HETATM   11  C   UNL     1       1.344  -1.257  -0.212  1.00  0.00           C  
HETATM   12  O   UNL     1       1.949  -1.850  -1.080  1.00  0.00           O  
HETATM   13  N   UNL     1       1.846  -0.115   0.299  1.00  0.00           N  
HETATM   14  CA  UNL     1       3.121   0.410  -0.195  1.00  0.00           C  
HETATM   15  C   UNL     1       3.173   1.922   0.034  1.00  0.00           C  
HETATM   16  C   UNL     1       2.099   2.603  -0.816  1.00  0.00           C  
HETATM   17  C   UNL     1       2.151   4.115  -0.587  1.00  0.00           C  
HETATM   18  C   UNL     1       4.256  -0.249   0.545  1.00  0.00           C  
HETATM   19  O   UNL     1       4.023  -1.073   1.398  1.00  0.00           O  
HETATM   20  OXT UNL     1       5.525   0.079   0.258  1.00  0.00           O  
HETATM   21  H   UNL     1      -0.315  -0.243  -1.876  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.342  -1.548  -1.970  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.894   0.144   0.402  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.285  -3.036  -1.275  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.666  -2.295  -0.071  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.345  -1.573   1.524  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.874   2.322   0.400  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.874   0.910  -1.709  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.141  -0.955  -1.719  1.00  0.00           H  
HETATM   30  H   UNL     1       0.082  -1.915   1.378  1.00  0.00           H  
HETATM   31  H   UNL     1       1.362   0.359   0.993  1.00  0.00           H  
HETATM   32  HA  UNL     1       3.212   0.200  -1.261  1.00  0.00           H  
HETATM   33  H   UNL     1       2.993   2.136   1.087  1.00  0.00           H  
HETATM   34  H   UNL     1       4.155   2.299  -0.251  1.00  0.00           H  
HETATM   35  H   UNL     1       2.279   2.389  -1.870  1.00  0.00           H  
HETATM   36  H   UNL     1       1.117   2.226  -0.531  1.00  0.00           H  
HETATM   37  H   UNL     1       1.385   4.601  -1.193  1.00  0.00           H  
HETATM   38  H   UNL     1       1.971   4.330   0.466  1.00  0.00           H  
HETATM   39  H   UNL     1       3.133   4.492  -0.872  1.00  0.00           H  
HETATM   40  HXT UNL     1       6.220  -0.371   0.759  1.00  0.00           H  
CONECT    1    2   21   22                                            
CONECT    2    1    4   10   23                                       
CONECT    3   10   24                                                 
CONECT    4    2    5   25   26                                       
CONECT    5    4    6    9    9                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8   27                                       
CONECT    8    7    7    9   28                                       
CONECT    9    5    5    8   29                                       
CONECT   10    2    3   11   30                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   31                                            
CONECT   14   13   15   18   32                                       
CONECT   15   14   16   33   34                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   37   38   39                                       
CONECT   18   14   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   40                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
