COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.146  -2.185  -0.370  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.964  -1.921  -0.297  1.00  0.00           C  
HETATM    3  OXT UNL     1      -3.059  -2.912  -0.183  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.514  -0.504  -0.339  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.257  -0.301  -0.392  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.561   0.525  -0.322  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.816   0.201  -0.024  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.197   1.959  -0.649  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.618   2.304   0.195  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.564   0.976  -0.464  1.00  0.00           C  
HETATM   11  CA  UNL     1      -0.274   0.899   0.354  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.596   0.467   1.761  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.116  -0.548   2.206  1.00  0.00           O  
HETATM   14  N   UNL     1       0.636  -0.072  -0.259  1.00  0.00           N  
HETATM   15  C   UNL     1       1.965   0.031  -0.061  1.00  0.00           C  
HETATM   16  O   UNL     1       2.408   0.927   0.625  1.00  0.00           O  
HETATM   17  C   UNL     1       2.900  -0.969  -0.692  1.00  0.00           C  
HETATM   18  C   UNL     1       4.321  -0.632  -0.318  1.00  0.00           C  
HETATM   19  S   UNL     1       5.385   0.431  -1.229  1.00  0.00           S  
HETATM   20  C   UNL     1       6.681   0.179  -0.067  1.00  0.00           C  
HETATM   21  C   UNL     1       6.266  -0.647   0.895  1.00  0.00           C  
HETATM   22  C   UNL     1       4.962  -1.091   0.759  1.00  0.00           C  
HETATM   23  HXT UNL     1      -3.399  -3.817  -0.164  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.602   0.935  -0.126  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.049  -0.795   0.321  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.078   2.078  -1.725  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.971   2.633  -0.281  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.317   1.194  -1.503  1.00  0.00           H  
HETATM   29  HA  UNL     1       0.202   1.879   0.375  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.256   1.064   2.372  1.00  0.00           H  
HETATM   31  H   UNL     1       0.281  -0.789  -0.808  1.00  0.00           H  
HETATM   32  H   UNL     1       2.658  -1.969  -0.335  1.00  0.00           H  
HETATM   33  H   UNL     1       2.792  -0.933  -1.776  1.00  0.00           H  
HETATM   34  H   UNL     1       7.663   0.626  -0.122  1.00  0.00           H  
HETATM   35  H   UNL     1       6.897  -0.942   1.720  1.00  0.00           H  
HETATM   36  H   UNL     1       4.500  -1.764   1.467  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   23                                                 
CONECT    4    6    2    5    5                                       
CONECT    5   10    4    4                                            
CONECT    6    8    7    7    4                                       
CONECT    7    6    6   24   25                                       
CONECT    8    6    9   26   27                                       
CONECT    9    8   10                                                 
CONECT   10   11    5    9   28                                       
CONECT   11   14   12   10   29                                       
CONECT   12   13   13   11   30                                       
CONECT   13   12   12                                                 
CONECT   14   15   11   31                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   32   33                                       
CONECT   18   22   22   17   19                                       
CONECT   19   20   18                                                 
CONECT   20   21   21   19   34                                       
CONECT   21   22   20   20   35                                       
CONECT   22   21   18   18   36                                       
CONECT   23    3                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
