PDB Code: SAA

X-PLOR files

Heterogen file generated from the PDB Het Group Dictionary



RESIDUE   SAA     22
CONECT      C1     3 C2   C6   C7
CONECT      C2     3 C1   C3   H2
CONECT      C3     3 C2   C4   H3
CONECT      C4     3 C3   C5   H4
CONECT      C5     3 C4   C6   H5
CONECT      C6     3 C5   C1   H6
CONECT      C7     4 C1   O8   C9   C10
CONECT      O8     2 C7   HO8
CONECT      C9     4 C7  1H9  2H9  3H9
CONECT      C10    3 C7   O1   O2
CONECT      O1     1 C10
CONECT      O2     2 C10  HO2
CONECT      H2     1 C2
CONECT      H3     1 C3
CONECT      H4     1 C4
CONECT      H5     1 C5
CONECT      H6     1 C6
CONECT     1H9     1 C9
CONECT     2H9     1 C9
CONECT     3H9     1 C9
CONECT      HO8    1 O8
CONECT      HO2    1 O2
END
HET    SAA             22
HETNAM     SAA (S)-ATROLACTIC ACID
HETSYN     SAA (S)-2-HYDROXY-2-PHENYLPROPIONIC ACID;                       
HETSYN   2 SAA (S)-ALPHA-METHYLMANDELIC ACID                               
FORMUL      SAA    C9 H10 O3