XV8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C4	sing	1.48Å	1.46Å
C1	C15	sing	1.47Å	1.42Å	Aromatic
C1	C13	doub	1.36Å	1.41Å	Aromatic
C2	C7	doub	1.40Å	1.41Å	Aromatic
C2	C3	sing	1.37Å	1.37Å	Aromatic
C3	C4	doub	1.40Å	1.40Å	Aromatic
C4	C5	sing	1.40Å	1.43Å	Aromatic
C5	C6	doub	1.37Å	1.41Å	Aromatic
C5	N27	sing	1.48Å	1.50Å
C6	C7	sing	1.40Å	1.40Å	Aromatic
C7	C8	sing	1.48Å	1.49Å
C8	N9	sing	1.35Å	1.37Å
C8	O10	doub	1.22Å	1.22Å
N9	C11	sing	1.46Å	1.51Å
N12	C14	sing	1.38Å	1.34Å	Aromatic
N12	C13	sing	1.36Å	1.42Å	Aromatic
N12	C20	sing	1.46Å	1.45Å
C14	C15	doub	1.41Å	1.41Å	Aromatic
C14	N19	sing	1.33Å	1.40Å	Aromatic
C15	C16	sing	1.40Å	1.40Å	Aromatic
C16	C17	doub	1.38Å	1.40Å	Aromatic
C17	C18	sing	1.39Å	1.44Å	Aromatic
C18	N19	doub	1.32Å	1.34Å	Aromatic
C20	C21	sing	1.51Å	1.49Å
C21	C22	doub	1.38Å	1.39Å	Aromatic
C21	C26	sing	1.38Å	1.42Å	Aromatic
C22	C25	sing	1.38Å	1.43Å	Aromatic
C23	C24	sing	1.38Å	1.40Å	Aromatic
C23	C25	doub	1.38Å	1.41Å	Aromatic
C24	C26	doub	1.38Å	1.38Å	Aromatic
N27	O28	doub	1.22Å	1.20Å
N27	O29	sing	1.22Å	1.24Å
C11	H34	sing	1.09Å	1.10Å
C11	H36	sing	1.09Å	1.10Å
C11	H35	sing	1.09Å	1.10Å
C13	H37	sing	1.08Å	1.08Å
C16	H38	sing	1.08Å	1.08Å
C17	H39	sing	1.08Å	1.08Å
C18	H40	sing	1.08Å	1.08Å
C20	H41	sing	1.09Å	1.10Å
C20	H42	sing	1.09Å	1.10Å
C22	H43	sing	1.08Å	1.08Å
C23	H44	sing	1.08Å	1.08Å
C24	H45	sing	1.08Å	1.08Å
C25	H46	sing	1.08Å	1.08Å
C26	H47	sing	1.08Å	1.08Å
C2	H30	sing	1.08Å	1.08Å
C3	H31	sing	1.08Å	1.08Å
C6	H32	sing	1.08Å	1.08Å
N9	H33	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C1	C15	125.2°	126.8°
C4	C1	C13	127.7°	126.8°
C1	C4	C3	117.8°	120.0°
C1	C4	C5	124.5°	120.0°
C15	C1	C13	107.0°	106.5°
C1	C15	C14	107.4°	106.2°
C1	C15	C16	135.7°	134.2°
C1	C13	N12	106.7°	109.7°
C1	C13	H37	126.7°	125.1°
C7	C2	C3	119.6°	120.0°
C2	C7	C6	122.1°	120.0°
C2	C7	C8	120.7°	120.0°
C7	C2	H30	120.2°	120.1°
C2	C3	C4	121.6°	120.0°
C3	C2	H30	120.2°	120.0°
C2	C3	H31	119.2°	120.0°
C3	C4	C5	117.7°	120.0°
C4	C3	H31	119.2°	120.0°
C4	C5	C6	122.2°	120.1°
C4	C5	N27	121.2°	119.9°
C6	C5	N27	116.6°	120.0°
C5	C6	C7	116.8°	120.0°
C5	C6	H32	121.6°	120.1°
C5	N27	O28	116.3°	119.9°
C5	N27	O29	122.5°	120.0°
C6	C7	C8	117.1°	120.1°
C7	C6	H32	121.6°	120.0°
C7	C8	N9	118.7°	120.0°
C7	C8	O10	120.1°	120.0°
N9	C8	O10	121.0°	120.0°
C8	N9	C11	123.7°	120.0°
C8	N9	H33	118.1°	119.9°
N9	C11	H34	109.5°	109.5°
N9	C11	H36	109.5°	109.5°
N9	C11	H35	109.5°	109.5°
C11	N9	H33	118.1°	120.0°
C14	N12	C13	110.0°	110.4°
C14	N12	C20	124.3°	124.8°
N12	C14	C15	108.8°	107.2°
N12	C14	N19	124.6°	133.0°
C13	N12	C20	125.6°	124.8°
N12	C13	H37	126.7°	125.2°
N12	C20	C21	113.9°	109.5°
N12	C20	H41	108.4°	109.5°
N12	C20	H42	108.4°	109.4°
C15	C14	N19	126.5°	119.8°
C14	C15	C16	116.8°	119.6°
C14	N19	C18	115.4°	121.7°
C15	C16	C17	118.2°	118.0°
C15	C16	H38	120.9°	121.0°
C16	C17	C18	121.3°	119.3°
C17	C16	H38	120.9°	121.0°
C16	C17	H39	119.4°	120.3°
C17	C18	N19	121.7°	121.6°
C18	C17	H39	119.3°	120.3°
C17	C18	H40	119.1°	119.2°
N19	C18	H40	119.1°	119.2°
C20	C21	C22	122.1°	120.0°
C20	C21	C26	117.0°	120.0°
C21	C20	H41	108.4°	109.5°
C21	C20	H42	108.4°	109.5°
C22	C21	C26	120.9°	120.0°
C21	C22	C25	118.3°	120.0°
C21	C22	H43	120.9°	120.0°
C21	C26	C24	120.0°	120.1°
C21	C26	H47	120.0°	120.0°
C22	C25	C23	120.8°	120.0°
C25	C22	H43	120.8°	120.0°
C22	C25	H46	119.6°	120.0°
C24	C23	C25	119.2°	120.0°
C23	C24	C26	120.7°	120.0°
C24	C23	H44	120.4°	120.0°
C23	C24	H45	119.6°	120.0°
C25	C23	H44	120.4°	120.0°
C23	C25	H46	119.6°	120.0°
C26	C24	H45	119.6°	120.0°
C24	C26	H47	120.0°	120.0°
O28	N27	O29	121.1°	120.1°
H34	C11	H36	109.5°	109.5°
H34	C11	H35	109.4°	109.4°
H36	C11	H35	109.5°	109.5°
H41	C20	H42	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C1	C15	C13	179.7°	180.0°
C1	C4	C3	C2	179.8°	180.0°
C1	C4	C3	C5	179.9°	180.0°
C1	C4	C5	C6	178.7°	180.0°
C1	C4	C5	N27	2.1°	0.1°
C4	C1	C13	N12	179.6°	179.8°
C4	C1	C15	C14	179.6°	179.8°
C4	C1	C15	C16	3.6°	0.1°
C4	C1	C13	H37	0.4°	0.0°
C1	C4	C3	H31	0.2°	0.0°
C15	C1	C4	C3	34.1°	115.0°
C15	C1	C4	C5	145.8°	65.0°
C1	C15	C14	N12	1.3°	0.1°
C15	C1	C13	N12	0.1°	0.3°
C1	C15	C14	C16	177.5°	179.8°
C1	C15	C14	N19	178.4°	179.9°
C1	C15	C16	C17	177.4°	180.0°
C15	C1	C13	H37	179.9°	180.0°
C1	C15	C16	H38	2.6°	0.1°
C13	C1	C4	C3	146.2°	65.0°
C13	C1	C4	C5	33.9°	114.9°
C1	C13	N12	C14	0.9°	0.2°
C1	C13	N12	H37	180.0°	179.7°
C1	C13	N12	C20	176.9°	179.9°
C13	C1	C15	C14	0.7°	0.2°
C13	C1	C15	C16	176.2°	180.0°
C7	C2	C3	H30	180.0°	179.7°
C7	C2	C3	C4	1.6°	0.0°
C2	C7	C6	C5	0.1°	0.0°
C2	C7	C6	C8	175.9°	180.0°
C2	C7	C8	N9	8.4°	0.0°
C2	C7	C8	O10	166.1°	180.0°
C7	C2	C3	H31	178.4°	180.0°
C2	C7	C6	H32	179.9°	180.0°
C2	C3	C4	H31	180.0°	179.9°
C2	C3	C4	C5	0.2°	0.1°
C3	C2	C7	C6	1.6°	0.0°
C3	C2	C7	C8	177.4°	180.0°
C3	C4	C5	C6	1.4°	0.0°
C3	C4	C5	N27	177.8°	180.0°
C4	C3	C2	H30	178.4°	179.7°
C4	C5	C6	N27	179.2°	179.9°
C4	C5	C6	C7	1.4°	0.0°
C4	C5	N27	O28	88.5°	180.0°
C4	C5	N27	O29	95.2°	0.0°
C5	C4	C3	H31	179.8°	180.0°
C4	C5	C6	H32	178.6°	180.0°
C5	C6	C7	H32	180.0°	180.0°
C5	C6	C7	C8	176.1°	180.0°
C6	C5	N27	O28	90.7°	0.1°
C6	C5	N27	O29	85.6°	180.0°
N27	C5	C6	C7	177.8°	179.9°
C5	N27	O28	O29	176.4°	180.0°
N27	C5	C6	H32	2.2°	0.0°
C6	C7	C8	N9	167.6°	180.0°
C6	C7	C8	O10	17.9°	0.0°
C6	C7	C2	H30	178.4°	179.7°
C7	C8	N9	O10	174.4°	180.0°
C7	C8	N9	C11	178.8°	180.0°
C8	C7	C2	H30	2.6°	0.3°
C8	C7	C6	H32	3.9°	0.0°
C7	C8	N9	H33	1.2°	0.0°
C8	N9	C11	H33	180.0°	180.0°
C8	N9	C11	H34	180.0°	180.0°
C8	N9	C11	H36	60.0°	60.0°
C8	N9	C11	H35	60.0°	60.0°
O10	C8	N9	C11	6.8°	0.0°
O10	C8	N9	H33	173.3°	180.0°
N9	C11	H34	H36	120.0°	120.0°
N9	C11	H34	H35	120.0°	120.0°
N9	C11	H36	H35	120.0°	120.0°
C14	N12	C13	C20	177.8°	179.9°
N12	C14	C15	N19	177.1°	180.0°
N12	C14	C15	C16	176.3°	179.9°
N12	C14	N19	C18	176.2°	180.0°
C14	N12	C20	C21	88.2°	85.0°
C14	N12	C13	H37	179.1°	180.0°
C14	N12	C20	H41	151.2°	35.0°
C14	N12	C20	H42	32.5°	155.0°
C13	N12	C14	C15	1.4°	0.1°
C13	N12	C14	N19	178.5°	179.9°
C13	N12	C20	C21	94.3°	95.1°
C13	N12	C20	H41	26.3°	144.8°
C13	N12	C20	H42	145.0°	24.8°
C20	N12	C14	C15	176.5°	180.0°
C20	N12	C14	N19	0.7°	0.0°
N12	C20	C21	H41	120.7°	120.1°
N12	C20	C21	H42	120.7°	119.9°
N12	C20	C21	C22	92.8°	89.9°
N12	C20	C21	C26	88.1°	90.3°
C20	N12	C13	H37	3.1°	0.1°
N12	C20	H41	H42	118.0°	120.0°
C14	C15	C16	C17	0.8°	0.2°
C15	C14	N19	C18	0.5°	0.0°
C14	C15	C16	H38	179.2°	179.8°
N19	C14	C15	C16	0.9°	0.1°
C14	N19	C18	C17	0.1°	0.1°
C14	N19	C18	H40	179.9°	179.9°
C15	C16	C17	H38	180.0°	180.0°
C15	C16	C17	C18	0.5°	0.1°
C15	C16	C17	H39	179.5°	180.0°
C16	C17	C18	H39	180.0°	179.9°
C16	C17	C18	N19	0.1°	0.0°
C16	C17	C18	H40	179.9°	180.0°
C17	C18	N19	H40	180.0°	179.9°
C18	C17	C16	H38	179.5°	179.9°
N19	C18	C17	H39	179.9°	179.8°
C20	C21	C22	C26	179.0°	179.8°
C20	C21	C22	C25	179.3°	180.0°
C20	C21	C26	C24	178.6°	180.0°
C21	C20	H41	H42	118.0°	120.0°
C20	C21	C22	H43	0.7°	0.1°
C20	C21	C26	H47	1.4°	0.1°
C21	C22	C25	H43	180.0°	179.9°
C21	C22	C25	C23	0.7°	0.1°
C22	C21	C26	C24	0.4°	0.2°
C22	C21	C20	H41	27.8°	150.0°
C22	C21	C20	H42	146.5°	30.0°
C21	C22	C25	H46	179.3°	179.9°
C22	C21	C26	H47	179.6°	179.7°
C26	C21	C22	C25	0.3°	0.1°
C21	C26	C24	C23	0.7°	0.0°
C21	C26	C24	H47	180.0°	179.9°
C26	C21	C20	H41	151.2°	29.8°
C26	C21	C20	H42	32.5°	149.8°
C26	C21	C22	H43	179.7°	179.7°
C21	C26	C24	H45	179.3°	179.7°
C22	C25	C23	C24	0.4°	0.3°
C22	C25	C23	H46	180.0°	179.8°
C22	C25	C23	H44	179.6°	179.9°
C24	C23	C25	H44	180.0°	179.8°
C23	C24	C26	H45	180.0°	179.7°
C24	C23	C25	H46	179.5°	179.9°
C23	C24	C26	H47	179.3°	179.9°
C25	C23	C24	C26	0.3°	0.3°
C23	C25	C22	H43	179.3°	180.0°
C25	C23	C24	H45	179.7°	180.0°
C26	C24	C23	H44	179.7°	180.0°
H34	C11	H36	H35	119.9°	120.0°
H34	C11	N9	H33	0.1°	0.0°
H36	C11	N9	H33	120.0°	120.0°
H35	C11	N9	H33	120.0°	120.0°
H38	C16	C17	H39	0.5°	0.0°
H39	C17	C18	H40	0.1°	0.1°
H43	C22	C25	H46	0.7°	0.2°
H44	C23	C24	H45	0.3°	0.3°
H44	C23	C25	H46	0.4°	0.1°
H45	C24	C26	H47	0.7°	0.4°
H30	C2	C3	H31	1.6°	0.3°

Release date:	2024-12-18
Definition date:	2023-06-08
Last modified:	2024-12-13
Release status:	REL
Processing site:	RCSB
Derived from:	7G6R