WMF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.35Å	1.32Å
C2	C3	doub	1.38Å	1.41Å
C3	C4	sing	1.40Å	1.43Å
C4	N5	sing	1.35Å	1.38Å
N5	C6	sing	1.36Å	1.38Å
C2	C7	sing	1.41Å	1.41Å
C6	C7	doub	1.35Å	1.35Å
C4	O8	doub	1.22Å	1.27Å
N5	C9	sing	1.46Å	1.47Å
C9	C10	sing	1.51Å	1.48Å
C10	C11	doub	1.38Å	1.41Å	Aromatic
C11	C12	sing	1.38Å	1.35Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.43Å	Aromatic
C10	C15	sing	1.39Å	1.43Å	Aromatic
C14	C15	doub	1.39Å	1.40Å	Aromatic
C15	O17	sing	1.36Å	1.40Å
O17	C18	sing	1.36Å	1.42Å
C18	C19	doub	1.39Å	1.40Å	Aromatic
C19	C20	sing	1.38Å	1.35Å	Aromatic
C20	C21	doub	1.38Å	1.35Å	Aromatic
C21	C22	sing	1.38Å	1.39Å	Aromatic
C18	C23	sing	1.39Å	1.34Å	Aromatic
C22	C23	doub	1.38Å	1.40Å	Aromatic
O1	H24	sing	0.97Å	0.95Å
C3	H25	sing	1.08Å	1.08Å
C6	H26	sing	1.08Å	1.08Å
C7	H27	sing	1.08Å	1.08Å
C9	H28	sing	1.09Å	1.10Å
C9	H29	sing	1.09Å	1.10Å
C11	H30	sing	1.08Å	1.08Å
C12	H31	sing	1.08Å	1.08Å
C13	H1	sing	1.08Å	1.08Å
C14	H32	sing	1.08Å	1.08Å
C19	H33	sing	1.08Å	1.08Å
C20	H34	sing	1.08Å	1.08Å
C21	H35	sing	1.08Å	1.08Å
C22	H36	sing	1.08Å	1.08Å
C23	H37	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	C3	118.5°	120.5°
O1	C2	C7	120.6°	120.5°
C2	O1	H24	109.5°	114.0°
C2	C3	C4	117.1°	119.2°
C3	C2	C7	120.9°	119.0°
C2	C3	H25	121.5°	120.5°
C3	C4	N5	119.2°	120.1°
C3	C4	O8	121.8°	120.0°
C4	C3	H25	121.5°	120.4°
C4	N5	C6	122.2°	121.1°
N5	C4	O8	118.6°	119.9°
C4	N5	C9	119.5°	119.5°
N5	C6	C7	119.1°	120.9°
C6	N5	C9	118.2°	119.4°
N5	C6	H26	120.5°	119.6°
C2	C7	C6	120.8°	119.8°
C2	C7	H27	119.6°	120.1°
C7	C6	H26	120.4°	119.5°
C6	C7	H27	119.6°	120.1°
N5	C9	C10	109.8°	109.5°
N5	C9	H28	109.4°	109.5°
N5	C9	H29	109.4°	109.4°
C9	C10	C11	123.0°	120.0°
C9	C10	C15	121.1°	120.0°
C10	C9	H28	109.4°	109.5°
C10	C9	H29	109.4°	109.4°
C10	C11	C12	122.1°	120.1°
C11	C10	C15	115.7°	120.0°
C10	C11	H30	118.9°	120.0°
C11	C12	C13	121.2°	120.1°
C12	C11	H30	119.0°	120.0°
C11	C12	H31	119.4°	120.0°
C12	C13	C14	121.6°	120.1°
C13	C12	H31	119.4°	120.0°
C12	C13	H1	119.2°	120.0°
C13	C14	C15	115.4°	119.9°
C14	C13	H1	119.2°	120.0°
C13	C14	H32	122.3°	120.1°
C10	C15	C14	123.7°	119.9°
C10	C15	O17	111.5°	120.1°
C14	C15	O17	124.8°	120.0°
C15	C14	H32	122.3°	120.0°
C15	O17	C18	119.5°	118.0°
O17	C18	C19	112.7°	120.1°
O17	C18	C23	121.8°	120.0°
C18	C19	C20	116.1°	120.0°
C19	C18	C23	125.3°	119.9°
C18	C19	H33	122.0°	120.0°
C19	C20	C21	121.2°	120.1°
C20	C19	H33	122.0°	120.1°
C19	C20	H34	119.4°	120.0°
C20	C21	C22	121.6°	120.1°
C21	C20	H34	119.4°	120.0°
C20	C21	H35	119.2°	120.0°
C21	C22	C23	118.6°	120.1°
C22	C21	H35	119.2°	119.9°
C21	C22	H36	120.7°	120.0°
C18	C23	C22	117.0°	120.0°
C18	C23	H37	121.5°	120.0°
C23	C22	H36	120.7°	120.0°
C22	C23	H37	121.5°	120.0°
H28	C9	H29	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C3	C7	177.8°	179.8°
O1	C2	C3	C4	178.5°	180.0°
O1	C2	C7	C6	178.2°	179.7°
O1	C2	C3	H25	1.4°	0.0°
O1	C2	C7	H27	1.8°	0.0°
C2	C3	C4	H25	180.0°	180.0°
C2	C3	C4	N5	8.1°	0.0°
C3	C2	C7	C6	0.4°	0.5°
C2	C3	C4	O8	179.5°	180.0°
C3	C2	O1	H24	180.0°	179.9°
C3	C2	C7	H27	179.6°	179.8°
C3	C4	N5	O8	172.6°	180.0°
C3	C4	N5	C6	9.8°	0.0°
C4	C3	C2	C7	3.6°	0.2°
C3	C4	N5	C9	172.9°	180.0°
C4	N5	C6	C9	177.4°	179.9°
C4	N5	C6	C7	6.4°	0.4°
C4	N5	C9	C10	136.5°	90.0°
N5	C4	C3	H25	171.9°	180.0°
C4	N5	C6	H26	173.6°	180.0°
C4	N5	C9	H28	103.5°	149.9°
C4	N5	C9	H29	16.4°	29.9°
N5	C6	C7	C2	1.6°	0.6°
N5	C6	C7	H26	180.0°	179.6°
C6	N5	C4	O8	177.6°	180.0°
C6	N5	C9	C10	46.1°	90.1°
N5	C6	C7	H27	178.4°	179.7°
C6	N5	C9	H28	74.0°	30.0°
C6	N5	C9	H29	166.1°	150.0°
C2	C7	C6	H27	180.0°	179.7°
C7	C2	O1	H24	2.2°	0.3°
C7	C2	C3	H25	176.4°	179.7°
C2	C7	C6	H26	178.4°	179.8°
C7	C6	N5	C9	176.2°	179.7°
O8	C4	N5	C9	0.3°	0.0°
O8	C4	C3	H25	0.5°	0.0°
N5	C9	C10	H28	120.1°	120.1°
N5	C9	C10	H29	120.0°	119.9°
N5	C9	C10	C11	122.2°	100.0°
N5	C9	C10	C15	62.4°	79.7°
C9	N5	C6	H26	3.8°	0.1°
N5	C9	H28	H29	119.8°	120.0°
C9	C10	C11	C15	175.6°	179.7°
C9	C10	C11	C12	178.7°	179.9°
C9	C10	C15	C14	178.5°	179.7°
C9	C10	C15	O17	0.1°	0.1°
C10	C9	H28	H29	119.9°	119.9°
C9	C10	C11	H30	1.3°	0.0°
C10	C11	C12	H30	180.0°	179.9°
C10	C11	C12	C13	5.1°	0.1°
C11	C10	C15	C14	5.8°	0.6°
C11	C10	C15	O17	175.6°	179.8°
C11	C10	C9	H28	2.2°	140.0°
C11	C10	C9	H29	117.7°	20.0°
C10	C11	C12	H31	174.9°	180.0°
C11	C12	C13	H31	180.0°	179.9°
C11	C12	C13	C14	4.2°	0.0°
C12	C11	C10	C15	5.7°	0.2°
C11	C12	C13	H1	175.8°	180.0°
C12	C13	C14	H1	180.0°	180.0°
C12	C13	C14	C15	4.0°	0.3°
C13	C12	C11	H30	174.9°	180.0°
C12	C13	C14	H32	176.0°	180.0°
C13	C14	C15	C10	5.0°	0.6°
C13	C14	C15	H32	180.0°	179.7°
C13	C14	C15	O17	176.6°	179.7°
C14	C13	C12	H31	175.8°	179.9°
C10	C15	C14	O17	178.4°	179.6°
C10	C15	O17	C18	149.9°	179.8°
C15	C10	C9	H28	177.5°	40.4°
C15	C10	C9	H29	57.6°	160.3°
C15	C10	C11	H30	174.3°	179.7°
C10	C15	C14	H32	175.0°	179.7°
C14	C15	O17	C18	28.6°	0.5°
C15	C14	C13	H1	176.0°	179.7°
C15	O17	C18	C19	133.7°	89.8°
C15	O17	C18	C23	50.5°	90.5°
O17	C15	C14	H32	3.4°	0.0°
O17	C18	C19	C23	175.6°	179.7°
O17	C18	C19	C20	177.4°	180.0°
O17	C18	C23	C22	178.9°	179.7°
O17	C18	C19	H33	2.5°	0.0°
O17	C18	C23	H37	1.1°	0.0°
C18	C19	C20	H33	180.0°	180.0°
C18	C19	C20	C21	1.4°	0.1°
C19	C18	C23	C22	3.6°	0.6°
C18	C19	C20	H34	178.6°	180.0°
C19	C18	C23	H37	176.4°	179.7°
C19	C20	C21	H34	180.0°	180.0°
C19	C20	C21	C22	2.5°	0.1°
C20	C19	C18	C23	1.8°	0.3°
C19	C20	C21	H35	177.4°	180.0°
C20	C21	C22	H35	180.0°	179.9°
C20	C21	C22	C23	0.6°	0.2°
C21	C20	C19	H33	178.6°	179.9°
C20	C21	C22	H36	179.4°	180.0°
C21	C22	C23	C18	2.4°	0.5°
C21	C22	C23	H36	180.0°	179.8°
C22	C21	C20	H34	177.5°	180.0°
C21	C22	C23	H37	177.7°	179.7°
C18	C23	C22	H37	180.0°	179.7°
C23	C18	C19	H33	178.2°	179.7°
C18	C23	C22	H36	177.7°	179.7°
C23	C22	C21	H35	179.4°	179.7°
H26	C6	C7	H27	1.6°	0.1°
H30	C11	C12	H31	5.1°	0.1°
H31	C12	C13	H1	4.1°	0.1°
H1	C13	C14	H32	3.9°	0.0°
H33	C19	C20	H34	1.4°	0.0°
H34	C20	C21	H35	2.6°	0.0°
H35	C21	C22	H36	0.6°	0.1°
H36	C22	C23	H37	2.3°	0.0°

Release date:	2023-06-14
Definition date:	2023-05-15
Last modified:	2023-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	7G10