COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.813   1.455   0.331  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.149   1.151   0.171  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.573  -0.177   0.245  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.002  -0.511   0.074  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.811   0.372  -0.132  1.00  0.00           O  
HETATM    6  O   UNL     1      -6.408  -1.793   0.147  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.641  -1.189   0.482  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.308  -0.871   0.640  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.894   0.447   0.560  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.436   0.786   0.734  1.00  0.00           C  
HETATM   11  N   UNL     1       0.233   0.752  -0.569  1.00  0.00           N  
HETATM   12  S   UNL     1       1.721   1.454  -0.755  1.00  0.00           S  
HETATM   13  O   UNL     1       2.109   1.220  -2.102  1.00  0.00           O  
HETATM   14  O   UNL     1       1.626   2.753  -0.187  1.00  0.00           O  
HETATM   15  C   UNL     1       2.852   0.552   0.252  1.00  0.00           C  
HETATM   16  C   UNL     1       3.510   1.100   1.326  1.00  0.00           C  
HETATM   17  C   UNL     1       4.331   0.266   1.975  1.00  0.00           C  
HETATM   18  S   UNL     1       4.321  -1.281   1.258  1.00  0.00           S  
HETATM   19  C   UNL     1       3.158  -0.765   0.045  1.00  0.00           C  
HETATM   20  C   UNL     1       2.610  -1.607  -1.020  1.00  0.00           C  
HETATM   21  O   UNL     1       3.075  -2.861  -1.194  1.00  0.00           O  
HETATM   22  O   UNL     1       1.736  -1.176  -1.747  1.00  0.00           O  
HETATM   23  H   UNL     1      -2.484   2.482   0.273  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.865   1.938  -0.012  1.00  0.00           H  
HETATM   25  H   UNL     1      -7.353  -1.962   0.029  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.962  -2.219   0.541  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.585  -1.653   0.823  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.344   1.784   1.163  1.00  0.00           H  
HETATM   29  H   UNL     1       0.030   0.060   1.400  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.197   0.318  -1.323  1.00  0.00           H  
HETATM   31  H   UNL     1       3.374   2.129   1.625  1.00  0.00           H  
HETATM   32  H   UNL     1       4.922   0.537   2.838  1.00  0.00           H  
HETATM   33  H   UNL     1       2.683  -3.379  -1.911  1.00  0.00           H  
CONECT    1    9    2    2   23                                       
CONECT    2    1    1    3   24                                       
CONECT    3    7    7    2    4                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4   25                                                 
CONECT    7    8    3    3   26                                       
CONECT    8    9    9    7   27                                       
CONECT    9   10    8    8    1                                       
CONECT   10   11    9   28   29                                       
CONECT   11   12   10   30                                            
CONECT   12   15   13   13   11                                       
CONECT   12   14   14                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   19   19   16   12                                       
CONECT   16   17   17   15   31                                       
CONECT   17   18   16   16   32                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   15   15                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   33                                                 
CONECT   22   20   20                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   21                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
