18S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.53Å
N1	C1	sing	1.47Å	1.47Å
O5	C1	sing	1.43Å	1.45Å
C1	H1	sing	1.09Å	1.10Å
N1	C7	sing	1.35Å	1.33Å
N1	HN1	sing	0.97Å	1.00Å
C7	S1	doub	1.71Å	1.74Å
C2	C3	sing	1.53Å	1.53Å
C2	O2	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.10Å
N3	N2	sing	1.40Å	1.23Å
N2	C7	sing	1.35Å	1.34Å
N2	HN2	sing	0.97Å	1.00Å
O2	HO2	sing	0.97Å	0.95Å
O3	C3	sing	1.43Å	1.43Å
C4	C3	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
C8	N3	doub	1.30Å	1.32Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C6	C5	sing	1.53Å	1.52Å
O5	C5	sing	1.43Å	1.45Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.43Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C9	C8	sing	1.47Å	1.39Å
C8	H8	sing	1.08Å	1.08Å
C10	C9	doub	1.40Å	1.40Å	Aromatic
C14	C9	sing	1.40Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C12	C11	doub	1.38Å	1.40Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C15	C12	sing	1.51Å	1.53Å
C12	C13	sing	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C15	H15B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N1	110.9°	109.5°
C2	C1	O5	113.3°	109.4°
C2	C1	H1	103.6°	109.5°
C1	C2	C3	110.2°	109.2°
C1	C2	O2	109.9°	109.5°
C1	C2	H2	109.2°	109.5°
N1	C1	O5	100.8°	109.5°
N1	C1	H1	115.5°	109.4°
C1	N1	C7	122.5°	120.0°
C1	N1	HN1	118.8°	120.0°
O5	C1	H1	113.2°	109.5°
C1	O5	C5	117.3°	114.1°
C7	N1	HN1	118.7°	120.0°
N1	C7	S1	120.8°	120.0°
N1	C7	N2	118.7°	120.0°
S1	C7	N2	120.5°	120.0°
C3	C2	O2	110.8°	109.5°
C3	C2	H2	108.3°	109.5°
C2	C3	O3	110.2°	109.5°
C2	C3	C4	109.5°	109.0°
C2	C3	H3	108.8°	109.6°
O2	C2	H2	108.5°	109.6°
C2	O2	HO2	109.5°	114.0°
N3	N2	C7	119.9°	120.0°
N3	N2	HN2	120.0°	120.0°
N2	N3	C8	120.6°	120.0°
C7	N2	HN2	120.0°	120.0°
O3	C3	C4	109.1°	109.6°
O3	C3	H3	109.2°	109.6°
C3	O3	HO3	109.5°	114.0°
C4	C3	H3	109.9°	109.5°
C3	C4	O4	109.8°	109.5°
C3	C4	C5	111.7°	109.1°
C3	C4	H4	107.8°	109.5°
N3	C8	C9	122.4°	120.0°
N3	C8	H8	118.8°	120.0°
O4	C4	C5	110.0°	109.5°
O4	C4	H4	109.7°	109.5°
C4	O4	HO4	109.5°	114.0°
C5	C4	H4	107.7°	109.6°
C4	C5	C6	106.4°	109.4°
C4	C5	O5	114.5°	109.4°
C4	C5	H5	106.8°	109.5°
C6	C5	O5	104.6°	109.5°
C6	C5	H5	116.3°	109.5°
C5	C6	O6	109.0°	109.5°
C5	C6	H6	109.6°	109.5°
C5	C6	H6A	109.6°	109.5°
O5	C5	H5	108.5°	109.5°
O6	C6	H6	109.7°	109.4°
O6	C6	H6A	109.6°	109.4°
C6	O6	HO6	109.5°	114.0°
H6	C6	H6A	109.3°	109.4°
C9	C8	H8	118.8°	120.0°
C8	C9	C10	121.8°	120.2°
C8	C9	C14	118.3°	120.2°
C10	C9	C14	119.9°	119.7°
C9	C10	C11	119.8°	119.8°
C9	C10	H10	120.1°	120.0°
C9	C14	C13	120.4°	119.9°
C9	C14	H14	119.8°	120.1°
C11	C10	H10	120.1°	120.1°
C10	C11	C12	119.9°	120.1°
C10	C11	H11	120.0°	119.9°
C12	C11	H11	120.1°	119.9°
C11	C12	C15	120.9°	119.8°
C11	C12	C13	120.3°	120.3°
C15	C12	C13	118.8°	119.9°
C12	C15	H15	109.5°	109.4°
C12	C15	H15A	109.5°	109.4°
C12	C15	H15B	109.5°	109.5°
C12	C13	C14	119.7°	120.1°
C12	C13	H13	120.2°	119.9°
C14	C13	H13	120.1°	119.9°
C13	C14	H14	119.8°	120.0°
H15	C15	H15A	109.5°	109.5°
H15	C15	H15B	109.4°	109.5°
H15A	C15	H15B	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N1	O5	120.2°	120.0°
C2	C1	N1	H1	117.4°	120.0°
C2	C1	O5	H1	117.6°	120.0°
C2	C1	N1	C7	137.2°	145.0°
C2	C1	N1	HN1	42.8°	35.0°
C1	C2	C3	O2	121.8°	119.9°
C1	C2	C3	H2	119.3°	119.9°
C1	C2	O2	H2	119.3°	120.2°
C1	C2	O2	HO2	180.0°	60.0°
C1	C2	C3	O3	177.8°	176.9°
C1	C2	C3	C4	57.7°	57.0°
C1	C2	C3	H3	62.5°	62.9°
C2	C1	O5	C5	46.4°	61.1°
N1	C1	O5	H1	124.0°	120.0°
C1	N1	C7	HN1	180.0°	180.0°
C1	N1	C7	S1	1.3°	0.0°
N1	C1	C2	C3	165.9°	177.6°
N1	C1	C2	O2	71.8°	62.5°
N1	C1	C2	H2	47.1°	57.7°
C1	N1	C7	N2	179.1°	180.0°
N1	C1	O5	C5	164.8°	178.8°
O5	C1	N1	C7	102.6°	95.0°
O5	C1	N1	HN1	77.4°	85.0°
O5	C1	C2	C3	53.5°	57.6°
O5	C1	C2	O2	175.8°	177.5°
O5	C1	C2	H2	65.3°	62.3°
C1	O5	C5	C4	42.9°	61.2°
C1	O5	C5	C6	158.9°	178.9°
C1	O5	C5	H5	76.3°	58.8°
H1	C1	N1	C7	19.8°	25.0°
H1	C1	N1	HN1	160.2°	155.0°
H1	C1	C2	C3	69.6°	62.4°
H1	C1	C2	O2	52.7°	57.5°
H1	C1	C2	H2	171.6°	177.7°
H1	C1	O5	C5	71.2°	58.8°
N1	C7	S1	N2	179.6°	180.0°
N1	C7	N2	N3	0.5°	0.0°
N1	C7	N2	HN2	179.5°	180.0°
HN1	N1	C7	S1	178.7°	180.0°
HN1	N1	C7	N2	0.9°	0.0°
S1	C7	N2	N3	179.9°	180.0°
S1	C7	N2	HN2	0.1°	0.1°
C3	C2	O2	H2	118.7°	120.1°
C3	C2	O2	HO2	58.0°	179.7°
C2	C3	O3	C4	120.3°	119.6°
C2	C3	O3	H3	119.5°	120.2°
C2	C3	C4	H3	119.5°	119.9°
C2	C3	O3	HO3	180.0°	60.1°
C2	C3	C4	O4	176.8°	176.9°
C2	C3	C4	C5	54.5°	57.0°
C2	C3	C4	H4	63.7°	63.0°
O2	C2	C3	O3	60.4°	63.2°
O2	C2	C3	C4	179.5°	176.9°
O2	C2	C3	H3	59.3°	57.0°
H2	C2	O2	HO2	60.7°	60.2°
H2	C2	C3	O3	58.5°	57.0°
H2	C2	C3	C4	61.6°	62.9°
H2	C2	C3	H3	178.2°	177.2°
N3	N2	C7	HN2	180.0°	179.9°
N2	N3	C8	C9	179.7°	180.0°
N2	N3	C8	H8	0.3°	0.0°
C7	N2	N3	C8	179.6°	180.0°
HN2	N2	N3	C8	0.5°	0.1°
O3	C3	C4	H3	119.7°	120.2°
O3	C3	C4	O4	62.4°	63.2°
O3	C3	C4	C5	175.3°	176.9°
O3	C3	C4	H4	57.1°	56.9°
C4	C3	O3	HO3	59.7°	179.6°
C3	C4	O4	C5	123.4°	119.6°
C3	C4	O4	H4	118.4°	120.1°
C3	C4	C5	H4	118.3°	119.9°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	C6	161.6°	177.6°
C3	C4	C5	O5	46.6°	57.6°
C3	C4	C5	H5	73.5°	62.4°
H3	C3	O3	HO3	60.5°	60.2°
H3	C3	C4	O4	57.3°	57.0°
H3	C3	C4	C5	65.0°	62.9°
H3	C3	C4	H4	176.8°	177.1°
N3	C8	C9	H8	180.0°	180.0°
N3	C8	C9	C10	14.3°	180.0°
N3	C8	C9	C14	166.0°	0.3°
O4	C4	C5	H4	119.5°	120.2°
O4	C4	C5	C6	76.2°	62.5°
O4	C4	C5	O5	168.9°	177.5°
O4	C4	C5	H5	48.7°	57.5°
C5	C4	O4	HO4	56.7°	179.6°
C4	C5	C6	O5	121.5°	119.9°
C4	C5	C6	H5	118.8°	120.0°
C4	C5	O5	H5	119.2°	120.0°
C4	C5	C6	O6	105.6°	175.0°
C4	C5	C6	H6	14.4°	55.0°
C4	C5	C6	H6A	134.4°	65.0°
H4	C4	O4	HO4	61.6°	60.2°
H4	C4	C5	C6	43.4°	57.7°
H4	C4	C5	O5	71.6°	62.3°
H4	C4	C5	H5	168.2°	177.7°
C6	C5	O5	H5	124.8°	120.1°
C5	C6	O6	H6	120.0°	120.1°
C5	C6	O6	H6A	120.0°	120.0°
C5	C6	H6	H6A	120.2°	120.1°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	132.9°	65.0°
O5	C5	C6	H6	107.1°	175.0°
O5	C5	C6	H6A	12.9°	54.9°
H5	C5	C6	O6	13.3°	55.1°
H5	C5	C6	H6	133.3°	64.9°
H5	C5	C6	H6A	106.8°	175.0°
O6	C6	H6	H6A	120.2°	119.9°
H6	C6	O6	HO6	60.0°	59.9°
H6A	C6	O6	HO6	60.0°	60.0°
C8	C9	C10	C14	179.6°	179.7°
C8	C9	C10	C11	179.7°	180.0°
C8	C9	C10	H10	0.3°	0.1°
C8	C9	C14	C13	179.6°	179.7°
C8	C9	C14	H14	0.4°	0.3°
H8	C8	C9	C10	165.6°	0.0°
H8	C8	C9	C14	14.0°	179.7°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.2°	0.0°
C9	C10	C11	H11	179.8°	180.0°
C10	C9	C14	C13	0.1°	0.6°
C10	C9	C14	H14	180.0°	180.0°
C14	C9	C10	C11	0.1°	0.3°
C14	C9	C10	H10	179.9°	179.8°
C9	C14	C13	C12	0.2°	0.6°
C9	C14	C13	H14	180.0°	179.4°
C9	C14	C13	H13	179.8°	179.7°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C15	179.9°	180.0°
C10	C11	C12	C13	0.1°	0.1°
H10	C10	C11	C12	179.8°	179.9°
H10	C10	C11	H11	0.2°	0.1°
C11	C12	C15	C13	179.8°	180.0°
C11	C12	C13	C14	0.1°	0.3°
C11	C12	C13	H13	179.9°	179.9°
C11	C12	C15	H15	90.1°	90.1°
C11	C12	C15	H15A	149.9°	150.0°
C11	C12	C15	H15B	29.9°	30.0°
H11	C11	C12	C15	0.2°	0.0°
H11	C11	C12	C13	179.9°	180.0°
C15	C12	C13	C14	179.7°	179.7°
C15	C12	C13	H13	0.3°	0.0°
C12	C15	H15	H15A	120.0°	119.9°
C12	C15	H15	H15B	120.0°	120.1°
C12	C15	H15A	H15B	120.0°	120.0°
C12	C13	C14	H13	180.0°	179.7°
C12	C13	C14	H14	179.9°	180.0°
C13	C12	C15	H15	90.1°	90.0°
C13	C12	C15	H15A	29.9°	30.0°
C13	C12	C15	H15B	149.9°	150.0°
H13	C13	C14	H14	0.1°	0.3°
H15	C15	H15A	H15B	119.9°	120.1°

Definition date:	2010-05-03
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3MS2