RESIDUE   A1I8R     16
CONECT      C      3 CA   O    OXT 
CONECT      CA     4 C    CB   HA1  HA2 
CONECT      CB     4 CA   N    HB3  HB2 
CONECT      CN     4 N    HN1  HN2  HN3 
CONECT      N      3 CB   CN   H2  
CONECT      O      1 C   
CONECT      OXT    2 C    HXT 
CONECT      HA1    1 CA  
CONECT      HA2    1 CA  
CONECT      HB3    1 CB  
CONECT      HB2    1 CB  
CONECT      HN1    1 CN  
CONECT      HN2    1 CN  
CONECT      HN3    1 CN  
CONECT      H2     1 N   
CONECT      HXT    1 OXT 
END   
HET    A1I8R             16
HETNAM     A1I8R N-methyl-beta-alanine
FORMUL      A1I8R    C4 H9 N O2