WU0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2U	C3U	doub	1.21Å	1.24Å
C3U	C25	sing	1.48Å	1.48Å
C24	C25	doub	1.40Å	1.40Å	Aromatic
C24	C23	sing	1.38Å	1.38Å	Aromatic
C25	C26	sing	1.40Å	1.38Å	Aromatic
C23	C22	doub	1.40Å	1.41Å	Aromatic
C26	C27	doub	1.38Å	1.40Å	Aromatic
C31	C30	doub	1.38Å	1.39Å	Aromatic
C31	C32	sing	1.39Å	1.40Å	Aromatic
C22	C27	sing	1.40Å	1.39Å	Aromatic
C22	C32	sing	1.48Å	1.47Å
C30	C29	sing	1.38Å	1.39Å	Aromatic
C32	C33	doub	1.39Å	1.38Å	Aromatic
C29	C28	doub	1.39Å	1.39Å	Aromatic
C33	C28	sing	1.39Å	1.40Å	Aromatic
C28	C10	sing	1.48Å	1.49Å
C10	C15	doub	1.40Å	1.40Å	Aromatic
C10	C11	sing	1.40Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C14	C13	doub	1.40Å	1.38Å	Aromatic
C12	C13	sing	1.40Å	1.38Å	Aromatic
C13	C3T	sing	1.48Å	1.49Å
C3T	O2T	doub	1.21Å	1.22Å
C33	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C27	H6	sing	1.08Å	1.08Å
C26	H7	sing	1.08Å	1.08Å
C24	H8	sing	1.08Å	1.08Å
C23	H9	sing	1.08Å	1.08Å
C31	H10	sing	1.08Å	1.08Å
C30	H11	sing	1.08Å	1.08Å
C29	H12	sing	1.08Å	1.08Å
C3U	O2	sing	1.35Å	1.33Å
C3T	O1	sing	1.35Å	1.32Å
O2	H13	sing	0.97Å	0.95Å
O1	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2U	C3U	C25	117.4°	120.0°
O2U	C3U	O2	124.1°	120.0°
C3U	C25	C24	120.3°	120.1°
C3U	C25	C26	118.7°	120.0°
C25	C3U	O2	118.5°	120.0°
C25	C24	C23	119.4°	120.0°
C24	C25	C26	120.9°	119.9°
C25	C24	H8	120.3°	120.0°
C24	C23	C22	119.9°	120.1°
C23	C24	H8	120.3°	120.0°
C24	C23	H9	120.0°	120.0°
C25	C26	C27	120.2°	120.0°
C25	C26	H7	119.9°	120.0°
C23	C22	C27	120.7°	120.0°
C23	C22	C32	119.4°	120.0°
C22	C23	H9	120.0°	119.9°
C26	C27	C22	118.9°	120.0°
C26	C27	H6	120.6°	120.0°
C27	C26	H7	119.9°	120.0°
C30	C31	C32	118.7°	120.2°
C31	C30	C29	121.3°	120.2°
C30	C31	H10	120.7°	119.9°
C31	C30	H11	119.4°	119.9°
C31	C32	C22	119.3°	120.1°
C31	C32	C33	119.9°	119.9°
C32	C31	H10	120.7°	119.9°
C27	C22	C32	119.9°	120.0°
C22	C27	H6	120.6°	119.9°
C22	C32	C33	120.8°	120.0°
C30	C29	C28	119.8°	120.2°
C29	C30	H11	119.3°	119.9°
C30	C29	H12	120.1°	119.9°
C32	C33	C28	121.3°	119.7°
C32	C33	H1	119.3°	120.1°
C29	C28	C33	118.9°	119.9°
C29	C28	C10	122.2°	120.1°
C28	C29	H12	120.1°	119.9°
C33	C28	C10	118.9°	120.0°
C28	C33	H1	119.3°	120.1°
C28	C10	C15	122.2°	120.0°
C28	C10	C11	119.8°	120.0°
C15	C10	C11	117.9°	120.0°
C10	C15	C14	120.7°	120.0°
C10	C15	H2	119.6°	119.9°
C10	C11	C12	121.0°	120.1°
C10	C11	H5	119.5°	119.9°
C15	C14	C13	120.7°	120.0°
C14	C15	H2	119.7°	120.0°
C15	C14	H3	119.7°	120.0°
C11	C12	C13	120.4°	120.0°
C11	C12	H4	119.8°	120.0°
C12	C11	H5	119.4°	120.0°
C14	C13	C12	119.2°	119.9°
C14	C13	C3T	119.9°	120.0°
C13	C14	H3	119.7°	120.0°
C12	C13	C3T	120.8°	120.1°
C13	C12	H4	119.8°	120.0°
C13	C3T	O2T	119.5°	120.0°
C13	C3T	O1	117.4°	120.0°
O2T	C3T	O1	122.9°	120.0°
C3U	O2	H13	109.5°	117.0°
C3T	O1	H14	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2U	C3U	C25	O2	178.3°	180.0°
O2U	C3U	C25	C24	142.6°	180.0°
O2U	C3U	C25	C26	34.8°	0.1°
O2U	C3U	O2	H13	0.0°	0.0°
C3U	C25	C24	C26	177.3°	179.9°
C3U	C25	C24	C23	178.6°	179.8°
C3U	C25	C26	C27	177.7°	180.0°
C3U	C25	C26	H7	2.3°	0.1°
C3U	C25	C24	H8	1.4°	0.1°
C25	C3U	O2	H13	178.2°	180.0°
C25	C24	C23	H8	180.0°	179.8°
C25	C24	C23	C22	1.2°	0.5°
C24	C25	C26	C27	0.3°	0.0°
C24	C25	C26	H7	179.7°	180.0°
C25	C24	C23	H9	178.8°	180.0°
C24	C25	C3U	O2	35.7°	0.0°
C23	C24	C25	C26	1.2°	0.3°
C24	C23	C22	H9	180.0°	179.5°
C24	C23	C22	C27	0.3°	0.5°
C24	C23	C22	C32	177.3°	179.8°
C25	C26	C27	H7	180.0°	180.0°
C25	C26	C27	C22	0.6°	0.0°
C25	C26	C27	H6	179.3°	180.0°
C26	C25	C24	H8	178.8°	180.0°
C26	C25	C3U	O2	146.9°	179.9°
C23	C22	C27	C26	0.7°	0.3°
C23	C22	C32	C31	32.6°	179.7°
C23	C22	C27	C32	177.6°	179.7°
C23	C22	C32	C33	148.2°	0.3°
C23	C22	C27	H6	179.3°	179.7°
C22	C23	C24	H8	178.8°	179.7°
C26	C27	C22	H6	180.0°	180.0°
C26	C27	C22	C32	178.2°	180.0°
C30	C31	C32	H10	180.0°	179.8°
C30	C31	C32	C22	179.3°	180.0°
C31	C30	C29	H11	180.0°	179.8°
C30	C31	C32	C33	0.1°	0.0°
C31	C30	C29	C28	0.8°	0.5°
C31	C30	C29	H12	179.2°	180.0°
C31	C32	C22	C27	145.0°	0.0°
C31	C32	C22	C33	179.2°	180.0°
C32	C31	C30	C29	0.1°	0.2°
C31	C32	C33	C28	1.2°	0.0°
C31	C32	C33	H1	178.8°	179.7°
C32	C31	C30	H11	179.8°	180.0°
C27	C22	C32	C33	34.2°	180.0°
C22	C27	C26	H7	179.4°	180.0°
C27	C22	C23	H9	179.8°	180.0°
C22	C32	C33	C28	179.6°	180.0°
C22	C32	C33	H1	0.4°	0.3°
C32	C22	C27	H6	1.7°	0.0°
C32	C22	C23	H9	2.6°	0.3°
C22	C32	C31	H10	0.8°	0.2°
C30	C29	C28	H12	180.0°	179.5°
C30	C29	C28	C33	1.9°	0.5°
C30	C29	C28	C10	178.6°	179.5°
C29	C30	C31	H10	179.8°	180.0°
C32	C33	C28	C29	2.1°	0.3°
C32	C33	C28	H1	180.0°	179.7°
C32	C33	C28	C10	178.4°	179.8°
C33	C32	C31	H10	180.0°	179.8°
C29	C28	C33	C10	179.5°	179.9°
C29	C28	C10	C15	7.7°	0.1°
C29	C28	C10	C11	170.3°	179.8°
C29	C28	C33	H1	177.9°	180.0°
C28	C29	C30	H11	179.2°	179.7°
C33	C28	C10	C15	171.8°	180.0°
C33	C28	C10	C11	10.2°	0.2°
C33	C28	C29	H12	178.1°	180.0°
C28	C10	C15	C11	178.0°	179.8°
C28	C10	C15	C14	178.4°	179.9°
C28	C10	C11	C12	178.9°	179.8°
C10	C28	C33	H1	1.6°	0.1°
C28	C10	C15	H2	1.6°	0.0°
C28	C10	C11	H5	1.1°	0.1°
C10	C28	C29	H12	1.3°	0.1°
C10	C15	C14	H2	180.0°	180.0°
C15	C10	C11	C12	0.8°	0.4°
C10	C15	C14	C13	0.4°	0.0°
C10	C15	C14	H3	179.6°	180.0°
C15	C10	C11	H5	179.2°	179.8°
C11	C10	C15	C14	0.4°	0.2°
C10	C11	C12	H5	180.0°	179.8°
C10	C11	C12	C13	0.4°	0.4°
C11	C10	C15	H2	179.6°	179.8°
C10	C11	C12	H4	179.5°	179.7°
C15	C14	C13	H3	180.0°	180.0°
C15	C14	C13	C12	0.8°	0.0°
C15	C14	C13	C3T	176.3°	180.0°
C11	C12	C13	C14	0.4°	0.2°
C11	C12	C13	H4	180.0°	179.8°
C11	C12	C13	C3T	176.7°	179.8°
C14	C13	C12	C3T	177.1°	179.9°
C14	C13	C3T	O2T	3.2°	0.1°
C13	C14	C15	H2	179.6°	180.0°
C14	C13	C12	H4	179.6°	179.9°
C14	C13	C3T	O1	172.2°	180.0°
C12	C13	C3T	O2T	179.8°	180.0°
C12	C13	C14	H3	179.2°	180.0°
C13	C12	C11	H5	179.6°	179.8°
C12	C13	C3T	O1	4.9°	0.1°
C13	C3T	O2T	O1	175.1°	179.9°
C3T	C13	C14	H3	3.7°	0.1°
C3T	C13	C12	H4	3.3°	0.0°
C13	C3T	O1	H14	175.2°	180.0°
O2T	C3T	O1	H14	0.0°	0.1°
H2	C15	C14	H3	0.4°	0.0°
H4	C12	C11	H5	0.5°	0.1°
H6	C27	C26	H7	0.7°	0.0°
H8	C24	C23	H9	1.2°	0.2°
H10	C31	C30	H11	0.2°	0.2°
H11	C30	C29	H12	0.8°	0.2°

Release date:	2023-12-06
Definition date:	2023-10-16
Last modified:	2023-12-01
Release status:	REL
Processing site:	PDBC
Derived from:	8WMK