YEU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C6	sing	1.38Å	1.41Å	Aromatic
C1	C2	doub	1.38Å	1.40Å	Aromatic
C2	C3	sing	1.39Å	1.39Å	Aromatic
C2	CL11	sing	1.74Å	1.72Å
C3	C10	sing	1.51Å	1.49Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.40Å	1.41Å	Aromatic
C5	C12	sing	1.48Å	1.46Å
C5	C6	doub	1.39Å	1.42Å	Aromatic
C6	C7	sing	1.51Å	1.53Å
C7	C9	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.55Å
C12	N13	sing	1.38Å	1.42Å
C12	N16	doub	1.30Å	1.34Å
N13	C14	sing	1.35Å	1.44Å
N13	C17	sing	1.47Å	1.48Å
C14	N15	sing	1.35Å	1.41Å
C14	O18	doub	1.22Å	1.23Å
N15	N16	sing	1.40Å	1.38Å
C10	H28	sing	1.09Å	1.10Å
C10	H29	sing	1.09Å	1.10Å
C10	H30	sing	1.09Å	1.10Å
C17	H32	sing	1.09Å	1.10Å
C17	H33	sing	1.09Å	1.10Å
C17	H34	sing	1.09Å	1.10Å
C1	H19	sing	1.08Å	1.08Å
C4	H20	sing	1.08Å	1.08Å
C7	H21	sing	1.09Å	1.10Å
C8	H22	sing	1.09Å	1.10Å
C8	H24	sing	1.09Å	1.10Å
C8	H23	sing	1.09Å	1.10Å
C9	H25	sing	1.09Å	1.10Å
C9	H27	sing	1.09Å	1.10Å
C9	H26	sing	1.09Å	1.10Å
N15	H31	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C2	119.1°	120.1°
C1	C6	C5	117.3°	119.9°
C1	C6	C7	119.8°	120.1°
C6	C1	H19	120.4°	120.0°
C1	C2	C3	123.9°	120.3°
C1	C2	CL11	118.1°	119.8°
C2	C1	H19	120.5°	119.9°
C3	C2	CL11	117.9°	119.9°
C2	C3	C10	120.1°	119.9°
C2	C3	C4	117.8°	120.1°
C10	C3	C4	122.1°	119.9°
C3	C10	H28	109.5°	109.5°
C3	C10	H29	109.5°	109.4°
C3	C10	H30	109.5°	109.5°
C3	C4	C5	120.0°	119.8°
C3	C4	H20	120.0°	120.1°
C4	C5	C12	115.2°	120.1°
C4	C5	C6	121.9°	119.8°
C5	C4	H20	120.0°	120.0°
C12	C5	C6	122.9°	120.1°
C5	C12	N13	123.3°	125.7°
C5	C12	N16	125.9°	125.8°
C5	C6	C7	122.8°	120.1°
C6	C7	C9	112.3°	109.5°
C6	C7	C8	111.7°	109.5°
C6	C7	H21	107.6°	109.4°
C9	C7	C8	110.2°	109.5°
C9	C7	H21	107.5°	109.5°
C7	C9	H25	109.5°	109.5°
C7	C9	H27	109.5°	109.5°
C7	C9	H26	109.5°	109.5°
C8	C7	H21	107.4°	109.5°
C7	C8	H22	109.5°	109.5°
C7	C8	H24	109.5°	109.5°
C7	C8	H23	109.5°	109.5°
N13	C12	N16	110.8°	108.5°
C12	N13	C14	107.0°	108.3°
C12	N13	C17	128.0°	125.9°
C12	N16	N15	106.3°	108.0°
C14	N13	C17	125.0°	125.9°
N13	C14	N15	103.4°	107.6°
N13	C14	O18	128.3°	126.2°
N13	C17	H32	109.5°	109.4°
N13	C17	H33	109.5°	109.4°
N13	C17	H34	109.5°	109.4°
N15	C14	O18	128.3°	126.2°
C14	N15	N16	112.6°	107.6°
C14	N15	H31	123.7°	126.2°
N16	N15	H31	123.7°	126.2°
H28	C10	H29	109.5°	109.4°
H28	C10	H30	109.4°	109.5°
H29	C10	H30	109.4°	109.5°
H32	C17	H33	109.5°	109.5°
H32	C17	H34	109.5°	109.5°
H33	C17	H34	109.5°	109.5°
H22	C8	H24	109.5°	109.6°
H22	C8	H23	109.4°	109.4°
H24	C8	H23	109.5°	109.4°
H25	C9	H27	109.5°	109.5°
H25	C9	H26	109.4°	109.4°
H27	C9	H26	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C2	H19	180.0°	179.8°
C6	C1	C2	C3	0.1°	0.1°
C6	C1	C2	CL11	179.3°	179.9°
C1	C6	C5	C4	0.3°	0.0°
C1	C6	C5	C12	179.6°	180.0°
C1	C6	C5	C7	179.5°	179.9°
C1	C6	C7	C9	39.6°	66.2°
C1	C6	C7	C8	84.7°	53.8°
C1	C6	C7	H21	157.7°	173.8°
C1	C2	C3	CL11	179.4°	180.0°
C1	C2	C3	C10	179.8°	180.0°
C1	C2	C3	C4	0.4°	0.0°
C2	C1	C6	C5	0.4°	0.1°
C2	C1	C6	C7	179.9°	180.0°
C2	C3	C10	C4	179.4°	180.0°
C2	C3	C4	C5	0.5°	0.0°
C2	C3	C10	H28	89.7°	90.0°
C2	C3	C10	H29	150.3°	150.0°
C2	C3	C10	H30	30.3°	30.1°
C3	C2	C1	H19	180.0°	179.7°
C2	C3	C4	H20	179.5°	180.0°
CL11	C2	C3	C10	0.8°	0.0°
CL11	C2	C3	C4	179.8°	180.0°
CL11	C2	C1	H19	0.7°	0.3°
C10	C3	C4	C5	179.9°	180.0°
C3	C10	H28	H29	120.0°	119.9°
C3	C10	H28	H30	120.0°	120.1°
C3	C10	H29	H30	120.0°	120.0°
C10	C3	C4	H20	0.1°	0.0°
C3	C4	C5	H20	180.0°	180.0°
C3	C4	C5	C12	179.2°	180.0°
C3	C4	C5	C6	0.2°	0.0°
C4	C3	C10	H28	89.7°	90.0°
C4	C3	C10	H29	30.4°	30.0°
C4	C3	C10	H30	150.3°	150.0°
C4	C5	C12	C6	179.4°	180.0°
C4	C5	C6	C7	179.8°	180.0°
C4	C5	C12	N13	51.7°	121.9°
C4	C5	C12	N16	128.9°	58.5°
C12	C5	C6	C7	0.9°	0.0°
C5	C12	N13	N16	179.5°	179.7°
C5	C12	N13	C14	179.7°	179.9°
C5	C12	N13	C17	0.3°	0.1°
C5	C12	N16	N15	179.9°	179.9°
C12	C5	C4	H20	0.8°	0.0°
C5	C6	C7	C9	140.9°	113.9°
C5	C6	C7	C8	94.8°	126.1°
C6	C5	C12	N13	127.7°	58.2°
C6	C5	C12	N16	51.7°	121.5°
C5	C6	C1	H19	179.6°	179.7°
C6	C5	C4	H20	179.8°	180.0°
C5	C6	C7	H21	22.8°	6.1°
C6	C7	C9	C8	125.1°	120.0°
C6	C7	C9	H21	118.1°	120.0°
C6	C7	C8	H21	117.7°	120.0°
C7	C6	C1	H19	0.1°	0.2°
C6	C7	C8	H22	180.0°	59.9°
C6	C7	C8	H24	60.0°	179.9°
C6	C7	C8	H23	60.0°	60.0°
C6	C7	C9	H25	180.0°	60.0°
C6	C7	C9	H27	60.0°	180.0°
C6	C7	C9	H26	60.0°	60.0°
C9	C7	C8	H21	116.8°	120.0°
C9	C7	C8	H22	54.5°	60.1°
C9	C7	C8	H24	174.5°	60.0°
C9	C7	C8	H23	65.5°	180.0°
C7	C9	H25	H27	120.0°	120.1°
C7	C9	H25	H26	120.0°	120.0°
C7	C9	H27	H26	120.0°	120.0°
C7	C8	H22	H24	120.0°	120.1°
C7	C8	H22	H23	120.0°	120.0°
C7	C8	H24	H23	120.0°	120.0°
C8	C7	C9	H25	54.9°	180.0°
C8	C7	C9	H27	65.2°	60.0°
C8	C7	C9	H26	174.9°	60.0°
C12	N13	C14	C17	180.0°	179.9°
C12	N13	C14	N15	0.1°	0.0°
C12	N13	C14	O18	179.6°	180.0°
N13	C12	N16	N15	0.4°	0.4°
C12	N13	C17	H32	180.0°	87.9°
C12	N13	C17	H33	60.0°	152.1°
C12	N13	C17	H34	60.0°	32.1°
N16	C12	N13	C14	0.2°	0.3°
N16	C12	N13	C17	179.8°	179.8°
C12	N16	N15	C14	0.5°	0.4°
C12	N16	N15	H31	179.5°	179.8°
N13	C14	N15	O18	179.5°	180.0°
N13	C14	N15	N16	0.4°	0.2°
C14	N13	C17	H32	0.1°	92.2°
C14	N13	C17	H33	119.9°	27.8°
C14	N13	C17	H34	120.1°	147.8°
N13	C14	N15	H31	179.6°	180.0°
C17	N13	C14	N15	179.9°	180.0°
C17	N13	C14	O18	0.4°	0.0°
N13	C17	H32	H33	120.0°	120.0°
N13	C17	H32	H34	120.0°	120.0°
N13	C17	H33	H34	120.0°	120.0°
C14	N15	N16	H31	180.0°	179.7°
O18	C14	N15	N16	179.9°	179.8°
O18	C14	N15	H31	0.1°	0.0°
H28	C10	H29	H30	120.0°	120.0°
H32	C17	H33	H34	120.0°	120.1°
H21	C7	C8	H22	62.3°	179.9°
H21	C7	C8	H24	57.7°	60.0°
H21	C7	C8	H23	177.7°	60.0°
H21	C7	C9	H25	61.9°	60.0°
H21	C7	C9	H27	178.1°	60.0°
H21	C7	C9	H26	58.1°	180.0°
H22	C8	H24	H23	119.9°	120.0°
H25	C9	H27	H26	120.0°	119.9°

Release date:	2024-12-18
Definition date:	2023-06-13
Last modified:	2024-12-13
Release status:	REL
Processing site:	RCSB
Derived from:	7G45