PDB Code: GTD
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
PICTURE GTD
O62 H1-C1'---SG2---CB2---CA2---N2---CD1--CG1--CB1--CA1--N1
| / \ | | || |
O61--N6'--C6' C2'--N2'--O21 C2=O2 HN2 OE1 O11==C1--O12-HO1
| || | |
O42 C5' C3' O22 HN3-N3 O31
| \\ / | ||
O41--N4'---C4' CA3--C3--O32--HO3
END
RESIDUE GTD 55
CONECT N1 3 CA1 1HN1 2HN1
CONECT CA1 4 N1 C1 CB1 HA1
CONECT C1 3 CA1 O11 O12
CONECT O11 1 C1
CONECT O12 2 C1 HO1
CONECT CB1 4 CA1 CG1 1HB1 2HB1
CONECT CG1 4 CB1 CD1 1HG1 2HG1
CONECT CD1 3 CG1 OE1 N2
CONECT OE1 1 CD1
CONECT N2 3 CD1 CA2 HN2
CONECT CA2 4 N2 C2 CB2 HA2
CONECT C2 3 CA2 O2 N3
CONECT O2 1 C2
CONECT CB2 4 CA2 SG2 1HB2 2HB2
CONECT SG2 2 CB2 C1'
CONECT N3 3 C2 CA3 HN3
CONECT CA3 4 N3 C3 1HA3 2HA3
CONECT C3 3 CA3 O31 O32
CONECT O31 1 C3
CONECT O32 2 C3 HO3
CONECT C1' 4 SG2 C2' C6' H1'
CONECT C2' 3 N2' C1' C3'
CONECT N2' 3 C2' O21 O22
CONECT O21 1 N2'
CONECT O22 1 N2'
CONECT C3' 3 C2' C4' H3'
CONECT C4' 4 N4' C3' C5' H4'
CONECT N4' 3 C4' O41 O42
CONECT O41 1 N4'
CONECT O42 1 N4'
CONECT C5' 3 C4' C6' H5'
CONECT C6' 3 N6' C5' C1'
CONECT N6' 3 C6' O61 O62
CONECT O61 1 N6'
CONECT O62 1 N6'
CONECT 1HN1 1 N1
CONECT 2HN1 1 N1
CONECT HA1 1 CA1
CONECT HO1 1 O12
CONECT 1HB1 1 CB1
CONECT 2HB1 1 CB1
CONECT 1HG1 1 CG1
CONECT 2HG1 1 CG1
CONECT HN2 1 N2
CONECT HA2 1 CA2
CONECT 1HB2 1 CB2
CONECT 2HB2 1 CB2
CONECT HN3 1 N3
CONECT 1HA3 1 CA3
CONECT 2HA3 1 CA3
CONECT HO3 1 O32
CONECT H1' 1 C1'
CONECT H3' 1 C3'
CONECT H4' 1 C4'
CONECT H5' 1 C5'
END
HET GTD 55
HETNAM GTD 1-(S-GLUTATHIONYL)-2,4,TRINITROCYCLOHEXADIENE
FORMUL GTD C16 H20 N6 O12 S1