COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.103  -1.942   0.720  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.829   0.350  -0.031  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.650  -2.175  -0.332  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.322  -0.665   0.896  1.00  0.00           C  
HETATM    5  C   UNL     1       0.157  -0.928   0.605  1.00  0.00           C  
HETATM    6  C   UNL     1       0.941   0.345   0.798  1.00  0.00           C  
HETATM    7  C   UNL     1       0.682  -2.000   1.561  1.00  0.00           C  
HETATM    8  N   UNL     1       5.146   2.629   0.150  1.00  0.00           N  
HETATM    9  O   UNL     1      -4.899   3.679  -0.954  1.00  0.00           O  
HETATM   10  O   UNL     1       4.689   0.545  -0.460  1.00  0.00           O  
HETATM   11  O   UNL     1       1.985  -1.616  -0.884  1.00  0.00           O  
HETATM   12  O   UNL     1       0.515  -2.022  -2.669  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.478   2.837  -0.185  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.373   2.052  -0.542  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.904   1.113   0.316  1.00  0.00           C  
HETATM   16  C   UNL     1       2.906   1.677   0.593  1.00  0.00           C  
HETATM   17  C   UNL     1       4.310   1.575   0.056  1.00  0.00           C  
HETATM   18  S   UNL     1       0.343  -1.498  -1.103  1.00  0.00           S  
HETATM   19  O   UNL     1       0.424   1.297   1.333  1.00  0.00           O  
HETATM   20  O   UNL     1       2.212   0.421   0.374  1.00  0.00           O  
HETATM   21  OXT UNL     1      -2.196  -2.817   1.733  1.00  0.00           O  
HETATM   22  H   UNL     1      -1.401   0.478  -0.892  1.00  0.00           H  
HETATM   23  HA  UNL     1      -1.433  -0.310   1.920  1.00  0.00           H  
HETATM   24  H   UNL     1       0.115  -2.921   1.421  1.00  0.00           H  
HETATM   25  H   UNL     1       1.736  -2.188   1.354  1.00  0.00           H  
HETATM   26  H   UNL     1       0.570  -1.657   2.589  1.00  0.00           H  
HETATM   27  H   UNL     1       6.050   2.564  -0.195  1.00  0.00           H  
HETATM   28  H   UNL     1       4.842   3.453   0.563  1.00  0.00           H  
HETATM   29  H   UNL     1       2.469  -0.808  -1.101  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.318  -2.083  -3.156  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.956   2.694   0.773  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.896   2.195  -1.500  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.381   0.970   1.274  1.00  0.00           H  
HETATM   34  H   UNL     1       2.940   1.892   1.661  1.00  0.00           H  
HETATM   35  H   UNL     1       2.377   2.479   0.077  1.00  0.00           H  
HETATM   36  HXT UNL     1      -2.708  -3.622   1.573  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.486  -2.604  -0.824  1.00  0.00           H  
CONECT    1    3    3    4   21                                       
CONECT    2    4   15   22                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   23                                       
CONECT    5    4   18    6    7                                       
CONECT    6    5   19   19   20                                       
CONECT    7    5   24   25   26                                       
CONECT    8   17   27   28                                            
CONECT    9   13   13                                                 
CONECT   10   17   17                                                 
CONECT   11   18   29                                                 
CONECT   12   18   30                                                 
CONECT   13    9    9   14   31                                       
CONECT   14   13   15   15   32                                       
CONECT   15    2   14   14   33                                       
CONECT   16   17   20   34   35                                       
CONECT   17    8   10   10   16                                       
CONECT   18    5   11   12   37                                       
CONECT   19    6    6                                                 
CONECT   20    6   16                                                 
CONECT   21    1   36                                                 
CONECT   22    2                                                      
CONECT   23    4                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   21                                                      
CONECT   37   18                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
