RESIDUE   I5Q     16
CONECT      C01    4 C02  H012 H011 H013
CONECT      C02    4 C01  C03  H022 H021
CONECT      C03    4 C02  C05  O04  H031
CONECT      C05    4 C03  O06  H051 H052
CONECT      O04    2 C03  H041
CONECT      O06    2 C05  H061
CONECT      H012   1 C01 
CONECT      H011   1 C01 
CONECT      H013   1 C01 
CONECT      H022   1 C02 
CONECT      H021   1 C02 
CONECT      H031   1 C03 
CONECT      H051   1 C05 
CONECT      H052   1 C05 
CONECT      H041   1 O04 
CONECT      H061   1 O06 
END   
HET    I5Q             16
HETNAM     I5Q (2S)-butane-1,2-diol
FORMUL      I5Q    C4 H10 O2