COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.502   0.890  -1.543  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.465   1.967   0.669  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.838   2.557  -0.355  1.00  0.00           N  
HETATM    4  N   UNL     1      -2.617   2.152  -0.383  1.00  0.00           N  
HETATM    5  C   UNL     1       5.122   0.784  -0.140  1.00  0.00           C  
HETATM    6  C   UNL     1       3.769   1.428  -0.302  1.00  0.00           C  
HETATM    7  C   UNL     1       2.736   0.365  -0.575  1.00  0.00           C  
HETATM    8  CA  UNL     1       0.695  -0.758  -0.096  1.00  0.00           C  
HETATM    9  C   UNL     1       0.568  -1.656   1.108  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.654  -0.096  -0.383  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.131   0.652   0.863  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.551   1.175   1.276  1.00  0.00           C  
HETATM   13  N   UNL     1       1.699   0.275   0.169  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.402   1.320   0.575  1.00  0.00           N  
HETATM   15  O   UNL     1       5.236  -0.415  -0.237  1.00  0.00           O  
HETATM   16  O   UNL     1       0.845  -1.236   2.206  1.00  0.00           O  
HETATM   17  OXT UNL     1       0.147  -2.922   0.960  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.114  -1.540   0.007  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.631  -2.249  -2.027  1.00  0.00           O  
HETATM   20  S   UNL     1      -1.867  -1.365  -0.826  1.00  0.00           S1-
HETATM   21  H   UNL     1      -0.162   0.357  -2.431  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.463   1.361  -1.748  1.00  0.00           H  
HETATM   23  H   UNL     1       0.229   1.654  -1.277  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.497   2.100   0.957  1.00  0.00           H  
HETATM   25  H   UNL     1       3.509   1.962   0.612  1.00  0.00           H  
HETATM   26  H   UNL     1       3.798   2.129  -1.136  1.00  0.00           H  
HETATM   27  H   UNL     1       2.871  -0.320  -1.398  1.00  0.00           H  
HETATM   28  HA  UNL     1       1.001  -1.349  -0.959  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.269  -0.055   1.681  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.386   1.396   1.148  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.708   0.549   2.141  1.00  0.00           H  
HETATM   32  HXT UNL     1       0.082  -3.459   1.761  1.00  0.00           H  
HETATM   33  O   UNL     1       6.201   1.543   0.111  1.00  0.00           O  
HETATM   34  H   UNL     1       7.047   1.084   0.206  1.00  0.00           H  
CONECT    1   10   21   22   23                                       
CONECT    2   12   12    3   24                                       
CONECT    3    2    4    4                                            
CONECT    4   14    3    3                                            
CONECT    5   15   15    6   33                                       
CONECT    6    7    5   25   26                                       
CONECT    7   13   13    6   27                                       
CONECT    8    9   10   13   28                                       
CONECT    9   16   16   17    8                                       
CONECT   10   11    1    8   20                                       
CONECT   11   14   10   29   30                                       
CONECT   12   14    2    2   31                                       
CONECT   13    8    7    7                                            
CONECT   14   12   11    4                                            
CONECT   15    5    5                                                 
CONECT   16    9    9                                                 
CONECT   17    9   32                                                 
CONECT   18   20   20                                                 
CONECT   19   20   20                                                 
CONECT   20   10   19   19   18                                       
CONECT   20   18                                                      
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   17                                                      
CONECT   33    5   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
