WWD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.36Å	1.38Å
C	C1	doub	1.39Å	1.40Å	Aromatic
C1	C2	sing	1.38Å	1.40Å	Aromatic
C2	S	sing	1.76Å	1.68Å
C3	S	sing	1.76Å	1.66Å
C3	C4	doub	1.36Å	1.38Å	Aromatic
C4	C5	sing	1.41Å	1.43Å	Aromatic
C5	C6	doub	1.40Å	1.43Å	Aromatic
C6	C7	sing	1.36Å	1.37Å	Aromatic
C7	C8	doub	1.39Å	1.42Å	Aromatic
S1	C8	sing	1.76Å	1.68Å
C9	S1	sing	1.76Å	1.68Å
C9	C10	doub	1.38Å	1.41Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
O1	C11	sing	1.36Å	1.37Å
C11	C12	doub	1.39Å	1.43Å	Aromatic
O2	C12	sing	1.36Å	1.37Å
C12	C13	sing	1.39Å	1.44Å	Aromatic
O3	C13	sing	1.36Å	1.36Å
C13	C14	doub	1.39Å	1.39Å	Aromatic
C14	C9	sing	1.38Å	1.40Å	Aromatic
O4	S1	doub	1.42Å	1.43Å
O5	S1	doub	1.42Å	1.41Å
C8	C15	sing	1.36Å	1.37Å	Aromatic
C15	C16	doub	1.41Å	1.42Å	Aromatic
C5	C16	sing	1.42Å	1.41Å	Aromatic
C16	C17	sing	1.41Å	1.42Å	Aromatic
C17	C18	doub	1.36Å	1.36Å	Aromatic
C18	C3	sing	1.39Å	1.42Å	Aromatic
O6	S	doub	1.42Å	1.44Å
S	O7	doub	1.42Å	1.43Å
C19	C2	doub	1.38Å	1.41Å	Aromatic
C20	C19	sing	1.39Å	1.40Å	Aromatic
O8	C20	sing	1.36Å	1.38Å
C21	C20	doub	1.39Å	1.42Å	Aromatic
C	C21	sing	1.39Å	1.43Å	Aromatic
O9	C21	sing	1.36Å	1.35Å
C1	H1	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
O9	H15	sing	0.97Å	0.95Å
C18	H12	sing	1.08Å	1.08Å
C19	H13	sing	1.08Å	1.08Å
O8	H14	sing	0.97Å	0.95Å
O	H	sing	0.97Å	0.95Å
C17	H11	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
O3	H8	sing	0.97Å	0.95Å
O2	H7	sing	0.97Å	0.95Å
O1	H6	sing	0.97Å	0.95Å
C10	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	115.4°	120.0°
O	C	C21	124.5°	120.1°
C	O	H	109.5°	114.0°
C	C1	C2	121.3°	120.1°
C1	C	C21	120.1°	119.9°
C	C1	H1	119.4°	119.9°
C1	C2	S	120.9°	119.9°
C1	C2	C19	118.8°	120.2°
C2	C1	H1	119.3°	120.0°
C2	S	C3	101.4°	107.2°
C2	S	O6	109.7°	106.4°
C2	S	O7	109.1°	106.4°
S	C2	C19	120.2°	119.9°
S	C3	C4	123.2°	119.5°
S	C3	C18	117.2°	119.5°
C3	S	O6	107.7°	106.4°
C3	S	O7	108.1°	106.4°
C3	C4	C5	120.0°	119.7°
C4	C3	C18	119.7°	121.0°
C3	C4	H2	120.0°	120.2°
C4	C5	C6	121.7°	121.3°
C4	C5	C16	119.0°	119.3°
C5	C4	H2	119.9°	120.2°
C5	C6	C7	118.8°	119.7°
C6	C5	C16	119.3°	119.4°
C5	C6	H3	120.6°	120.1°
C6	C7	C8	122.7°	121.0°
C7	C6	H3	120.6°	120.2°
C6	C7	H4	118.6°	119.5°
C7	C8	S1	118.9°	119.5°
C7	C8	C15	118.5°	121.0°
C8	C7	H4	118.6°	119.6°
C8	S1	C9	103.5°	107.2°
C8	S1	O4	109.2°	106.5°
C8	S1	O5	106.6°	106.4°
S1	C8	C15	122.5°	119.5°
S1	C9	C10	120.6°	119.9°
S1	C9	C14	120.6°	120.0°
C9	S1	O4	108.6°	106.4°
C9	S1	O5	109.4°	106.4°
C9	C10	C11	121.9°	120.1°
C10	C9	C14	118.8°	120.2°
C9	C10	H5	119.0°	119.9°
C10	C11	O1	113.6°	120.1°
C10	C11	C12	119.8°	119.9°
C11	C10	H5	119.1°	120.0°
O1	C11	C12	126.6°	120.0°
C11	O1	H6	109.5°	114.0°
C11	C12	O2	116.7°	120.1°
C11	C12	C13	117.6°	119.8°
O2	C12	C13	125.7°	120.1°
C12	O2	H7	109.5°	114.0°
C12	C13	O3	118.6°	120.0°
C12	C13	C14	121.1°	119.9°
O3	C13	C14	120.3°	120.1°
C13	O3	H8	109.5°	114.0°
C13	C14	C9	120.9°	120.1°
C13	C14	H9	119.6°	120.0°
C9	C14	H9	119.6°	119.9°
O4	S1	O5	118.5°	123.1°
C8	C15	C16	120.9°	119.7°
C8	C15	H10	119.5°	120.2°
C15	C16	C5	119.7°	119.3°
C15	C16	C17	120.0°	121.3°
C16	C15	H10	119.6°	120.2°
C5	C16	C17	120.3°	119.4°
C16	C17	C18	119.3°	119.6°
C16	C17	H11	120.3°	120.1°
C17	C18	C3	121.7°	121.1°
C17	C18	H12	119.2°	119.5°
C18	C17	H11	120.3°	120.2°
C3	C18	H12	119.1°	119.5°
O6	S	O7	119.4°	123.2°
C2	C19	C20	121.1°	120.1°
C2	C19	H13	119.4°	120.0°
C19	C20	O8	122.4°	120.0°
C19	C20	C21	120.4°	119.9°
C20	C19	H13	119.4°	119.9°
O8	C20	C21	117.1°	120.1°
C20	O8	H14	109.5°	114.0°
C20	C21	C	118.2°	119.8°
C20	C21	O9	124.7°	120.1°
C	C21	O9	117.1°	120.1°
C21	O9	H15	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	C21	177.1°	179.4°
O	C	C1	C2	175.9°	180.0°
O	C	C21	C20	175.6°	180.0°
O	C	C21	O9	5.0°	0.2°
O	C	C1	H1	4.0°	0.3°
C	C1	C2	H1	180.0°	179.7°
C	C1	C2	S	175.6°	179.8°
C	C1	C2	C19	1.1°	0.3°
C1	C	C21	C20	1.2°	0.5°
C1	C	C21	O9	178.2°	179.7°
C1	C	O	H	180.0°	90.0°
C1	C2	S	C19	176.6°	180.0°
C1	C2	S	C3	96.2°	90.0°
C1	C2	S	O6	17.4°	23.5°
C1	C2	S	O7	149.9°	156.4°
C1	C2	C19	C20	1.0°	0.0°
C2	C1	C	C21	1.2°	0.5°
C1	C2	C19	H13	179.0°	180.0°
C2	S	C3	O6	115.2°	113.5°
C2	S	C3	O7	114.7°	113.5°
C2	S	C3	C4	98.2°	90.0°
C2	S	C3	C18	83.3°	90.0°
C2	S	O6	O7	126.9°	122.9°
S	C2	C19	C20	175.7°	179.9°
S	C2	C1	H1	4.4°	0.0°
S	C2	C19	H13	4.3°	0.1°
S	C3	C4	C18	178.4°	180.0°
S	C3	C4	C5	177.9°	180.0°
S	C3	C18	C17	178.5°	180.0°
C3	S	O6	O7	123.5°	123.0°
C3	S	C2	C19	87.2°	90.0°
S	C3	C18	H12	1.5°	0.0°
S	C3	C4	H2	2.0°	0.1°
C3	C4	C5	H2	180.0°	179.9°
C3	C4	C5	C6	178.2°	180.0°
C3	C4	C5	C16	0.7°	0.0°
C4	C3	C18	C17	0.0°	0.1°
C4	C3	S	O6	146.6°	23.5°
C4	C3	S	O7	16.4°	156.5°
C4	C3	C18	H12	180.0°	180.0°
C4	C5	C6	C16	178.9°	180.0°
C4	C5	C6	C7	179.4°	179.9°
C4	C5	C16	C15	179.8°	180.0°
C4	C5	C16	C17	0.5°	0.0°
C5	C4	C3	C18	0.5°	0.0°
C4	C5	C6	H3	0.6°	0.2°
C5	C6	C7	H3	180.0°	179.8°
C5	C6	C7	C8	0.6°	0.2°
C6	C5	C16	C15	0.8°	0.0°
C6	C5	C16	C17	178.4°	180.0°
C6	C5	C4	H2	1.8°	0.1°
C5	C6	C7	H4	179.4°	179.7°
C6	C7	C8	H4	180.0°	179.9°
C6	C7	C8	S1	174.6°	180.0°
C6	C7	C8	C15	1.5°	0.5°
C7	C6	C5	C16	0.5°	0.1°
C7	C8	S1	C15	175.9°	179.5°
C7	C8	S1	C9	109.4°	89.6°
C7	C8	S1	O4	135.1°	24.0°
C7	C8	S1	O5	6.0°	157.0°
C7	C8	C15	C16	1.1°	0.5°
C8	C7	C6	H3	179.4°	180.0°
C7	C8	C15	H10	178.9°	179.7°
C8	S1	C9	O4	115.9°	113.6°
C8	S1	C9	O5	113.3°	113.5°
C8	S1	C9	C10	84.4°	90.1°
C8	S1	C9	C14	97.7°	89.7°
C8	S1	O4	O5	122.3°	123.0°
S1	C8	C15	C16	174.8°	180.0°
S1	C8	C15	H10	5.2°	0.2°
S1	C8	C7	H4	5.4°	0.1°
S1	C9	C10	C14	177.9°	179.8°
S1	C9	C10	C11	178.1°	179.8°
S1	C9	C14	C13	177.0°	180.0°
C9	S1	O4	O5	125.6°	122.9°
C9	S1	C8	C15	74.8°	90.0°
S1	C9	C14	H9	3.0°	0.0°
S1	C9	C10	H5	1.9°	0.0°
C9	C10	C11	H5	180.0°	179.8°
C9	C10	C11	O1	177.8°	179.8°
C9	C10	C11	C12	1.1°	0.5°
C10	C9	C14	C13	0.9°	0.2°
C10	C9	S1	O4	31.5°	23.6°
C10	C9	S1	O5	162.3°	156.5°
C10	C9	C14	H9	179.1°	179.7°
C10	C11	O1	C12	178.8°	179.8°
C10	C11	C12	O2	177.8°	179.8°
C10	C11	C12	C13	1.0°	0.2°
C11	C10	C9	C14	0.1°	0.5°
C10	C11	O1	H6	180.0°	89.7°
O1	C11	C12	O2	3.5°	0.0°
O1	C11	C12	C13	177.7°	180.0°
O1	C11	C10	H5	2.3°	0.0°
C11	C12	O2	C13	178.7°	180.0°
C11	C12	C13	O3	177.9°	180.0°
C11	C12	C13	C14	0.0°	0.0°
C11	C12	O2	H7	180.0°	90.0°
C12	C11	O1	H6	1.2°	90.1°
C12	C11	C10	H5	178.9°	179.7°
O2	C12	C13	O3	0.7°	0.0°
O2	C12	C13	C14	178.7°	180.0°
C12	C13	O3	C14	177.9°	180.0°
C12	C13	C14	C9	1.0°	0.0°
C12	C13	C14	H9	179.1°	180.0°
C12	C13	O3	H8	180.0°	90.0°
C13	C12	O2	H7	1.3°	90.0°
O3	C13	C14	C9	176.9°	179.9°
O3	C13	C14	H9	3.0°	0.0°
C13	C14	C9	H9	180.0°	179.9°
C14	C13	O3	H8	2.0°	89.9°
C14	C9	S1	O4	146.3°	156.7°
C14	C9	S1	O5	15.6°	23.8°
C14	C9	C10	H5	179.8°	179.8°
O4	S1	C8	C15	40.7°	156.4°
O5	S1	C8	C15	169.9°	23.5°
C8	C15	C16	H10	180.0°	179.8°
C8	C15	C16	C5	0.0°	0.3°
C8	C15	C16	C17	179.3°	179.8°
C15	C8	C7	H4	178.5°	179.5°
C15	C16	C5	C17	179.3°	180.0°
C15	C16	C17	C18	179.3°	180.0°
C15	C16	C17	H11	0.7°	0.0°
C5	C16	C17	C18	0.0°	0.0°
C16	C5	C6	H3	179.5°	179.7°
C5	C16	C17	H11	180.0°	180.0°
C16	C5	C4	H2	179.3°	179.9°
C5	C16	C15	H10	180.0°	179.9°
C16	C17	C18	H11	180.0°	180.0°
C16	C17	C18	C3	0.2°	0.1°
C16	C17	C18	H12	179.8°	180.0°
C17	C16	C15	H10	0.8°	0.0°
C17	C18	C3	H12	180.0°	180.0°
C18	C3	S	O6	31.9°	156.5°
C18	C3	S	O7	162.0°	23.5°
C3	C18	C17	H11	179.8°	180.0°
C18	C3	C4	H2	179.5°	179.9°
O6	S	C2	C19	159.2°	156.5°
O7	S	C2	C19	26.7°	23.5°
C2	C19	C20	H13	180.0°	180.0°
C2	C19	C20	O8	175.0°	179.9°
C2	C19	C20	C21	1.1°	0.0°
C19	C2	C1	H1	178.9°	180.0°
C19	C20	O8	C21	176.3°	180.0°
C19	C20	C21	C	1.2°	0.2°
C19	C20	C21	O9	178.2°	180.0°
C19	C20	O8	H14	180.0°	90.0°
O8	C20	C21	C	175.2°	179.8°
O8	C20	C21	O9	5.5°	0.0°
O8	C20	C19	H13	4.9°	0.1°
C20	C21	C	O9	179.4°	179.8°
C20	C21	O9	H15	180.0°	90.1°
C21	C20	C19	H13	178.9°	180.0°
C21	C20	O8	H14	3.7°	90.0°
C21	C	C1	H1	178.8°	179.7°
C	C21	O9	H15	0.7°	89.8°
C21	C	O	H	3.0°	89.5°
H3	C6	C7	H4	0.6°	0.1°
H12	C18	C17	H11	0.2°	0.0°

Release date:	2026-10-14
Definition date:	2023-05-19
Last modified:	2026-10-09
Release status:	REL
Processing site:	RCSB
Derived from:	7G2C