PDB Code: TNT
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
PICTURE TNT
{ N1 C3--C2 }
{ \\ / \ }
{ C7--C4 O C1--O1--C8--C'
{ / \ / }
{ N2 C5--C6 }2
END
RESIDUE TNT 43
CONECT C1 3 O1 C2 C6
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 N1 2 C7 1HN
CONECT N2 3 C7 2HN 3HN
CONECT C1' 3 O1' C2' C6'
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 N1' 2 C7' 1HN'
CONECT N2' 3 C7' 2HN' 3HN'
CONECT C8 4 C' O1 1H8 2H8
CONECT O1 2 C8 C1
CONECT C' 4 C8 C8' 1H' 2H'
CONECT C8' 4 C' O1' 1H8' 2H8'
CONECT O1' 2 C8' C1'
CONECT H2 1 C2
CONECT H3 1 C3
CONECT H5 1 C5
CONECT H6 1 C6
CONECT 1HN 1 N1
CONECT 2HN 1 N2
CONECT 3HN 1 N2
CONECT H2' 1 C2'
CONECT H3' 1 C3'
CONECT H5' 1 C5'
CONECT H6' 1 C6'
CONECT 1HN' 1 N1'
CONECT 2HN' 1 N2'
CONECT 3HN' 1 N2'
CONECT 1H8 1 C8
CONECT 2H8 1 C8
CONECT 1H8' 1 C8'
CONECT 2H8' 1 C8'
CONECT 1H' 1 C'
CONECT 2H' 1 C'
END
HET TNT 43
HETNAM TNT 1,3-BIS(4-AMIDOPHENOXY)PROPANE
FORMUL TNT C17 H20 N4 O2