RESIDUE   A1CS2     29
CONECT      C13    4 C15  C14  H1   H2  
CONECT      C15    4 C13  C11  H3   H4  
CONECT      O01    1 C02 
CONECT      C02    3 O01  O03  C04 
CONECT      O03    2 C02  H5  
CONECT      C04    3 C02  C05  C09 
CONECT      C05    3 C04  C06  H6  
CONECT      C06    3 C05  C07  H7  
CONECT      C07    3 C06  C08  H8  
CONECT      C08    3 C07  C09  H9  
CONECT      C09    3 C04  C08  S10 
CONECT      S10    2 C09  C11 
CONECT      C11    4 C15  S10  C12  C14 
CONECT      C12    4 C11  H10  H11  H12 
CONECT      C14    4 C13  C11  H13  H14 
CONECT      H1     1 C13 
CONECT      H2     1 C13 
CONECT      H3     1 C15 
CONECT      H4     1 C15 
CONECT      H5     1 O03 
CONECT      H6     1 C05 
CONECT      H7     1 C06 
CONECT      H8     1 C07 
CONECT      H9     1 C08 
CONECT      H10    1 C12 
CONECT      H11    1 C12 
CONECT      H12    1 C12 
CONECT      H13    1 C14 
CONECT      H14    1 C14 
END   
HET    A1CS2             29
HETNAM     A1CS2 2-[(1-methylcyclobutyl)sulfanyl]benzoic acid
FORMUL      A1CS2    C12 H14 O2 S