PDB Code: PET

X-PLOR files

Heterogen file generated from the PDB Het Group Dictionary



RESIDUE   PET     47
CONECT      C1     3 C2   C6   O1
CONECT      C2     3 C1   C3   H2
CONECT      C3     3 C2   C4   H3
CONECT      C4     3 C3   C5   C7
CONECT      C5     3 C4   C6   H5
CONECT      C6     3 C1   C5   H6
CONECT      C7     3 C4   N1   N2
CONECT      CA     4 CB   O1  1HA  2HA
CONECT      CB     4 CA   O2  1HB  2HB
CONECT      C1'    3 C2'  C6'  O1'
CONECT      C2'    3 C1'  C3'  H2'
CONECT      C3'    3 C2'  C4'  H3'
CONECT      C4'    3 C3'  C5'  C7'
CONECT      C5'    3 C4'  C6'  H5'
CONECT      C6'    3 C1'  C5'  H6'
CONECT      C7'    3 C4'  N1'  N2'
CONECT      CA'    4 CB'  O1' 1HA' 2HA'
CONECT      CB'    4 CA'  O2  1HB' 2HB'
CONECT      N1     2 C7   HN1
CONECT      N2     3 C7  1HN2 2HN2
CONECT      N1'    2 C7' 'HN1
CONECT      N2'    3 C7' 1HN' 2HN'
CONECT      O1     2 C1   CA
CONECT      O1'    2 C1'  CA'
CONECT      O2     2 CB   CB'
CONECT      H2     1 C2
CONECT      H3     1 C3
CONECT      H5     1 C5
CONECT      H6     1 C6
CONECT     1HA     1 CA
CONECT     2HA     1 CA
CONECT     1HB     1 CB
CONECT     2HB     1 CB
CONECT      H2'    1 C2'
CONECT      H3'    1 C3'
CONECT      H5'    1 C5'
CONECT      H6'    1 C6'
CONECT     1HA'    1 CA'
CONECT     2HA'    1 CA'
CONECT     1HB'    1 CB'
CONECT     2HB'    1 CB'
CONECT      HN1    1 N1
CONECT     1HN2    1 N2
CONECT     2HN2    1 N2
CONECT     'HN1    1 N1'
CONECT     1HN'    1 N2'
CONECT     2HN'    1 N2'
END
HET    PET             47
HETNAM     PET 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE
FORMUL      PET    C18 H22 N4 O3