PDB Code: HEF

X-PLOR files

Heterogen file generated from the PDB Het Group Dictionary



RESIDUE   HEF     37
CONECT      N1     3 C2   C6   CM
CONECT      C2     3 N1   N3   O2
CONECT      O2     1 C2
CONECT      N3     3 C2   C4   HN3
CONECT      C4     3 N3   C5   O4
CONECT      O4     1 C4
CONECT      C5     3 C4   C6   CM5
CONECT      C6     3 N1   C5   S'
CONECT      CM5    4 C5  1HM5 2HM5 3HM5
CONECT      CM     4 N1   OM  1HM  2HM
CONECT      OM     2 CM   CE1
CONECT      CE1    4 OM   CE2 1HE1 2HE1
CONECT      CE2    4 CE1  OE  1HE2 2HE2
CONECT      OE     2 CE2  HOE
CONECT      S'     2 C6   C1'
CONECT      C1'    3 S'   C2'  C6'
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 C1'  C5'  H6'
CONECT      HN3    1 N3
CONECT     1HM5    1 CM5
CONECT     2HM5    1 CM5
CONECT     3HM5    1 CM5
CONECT     1HM     1 CM
CONECT     2HM     1 CM
CONECT     1HE1    1 CE1
CONECT     2HE1    1 CE1
CONECT     1HE2    1 CE2
CONECT     2HE2    1 CE2
CONECT      HOE    1 OE
CONECT      H2'    1 C2'
CONECT      H3'    1 C3'
CONECT      H4'    1 C4'
CONECT      H5'    1 C5'
CONECT      H6'    1 C6'
END
HET    HEF             37
HETNAM     HEF 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYLTHIOTHYMINE
FORMUL      HEF    C14 H16 N2 O4 S1