8PV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	doub	1.38Å	1.40Å	Aromatic
C8	C9	sing	1.38Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.40Å	Aromatic
C9	C10	doub	1.38Å	1.40Å	Aromatic
C17	N16	sing	1.46Å	1.48Å
C17	C18	sing	1.51Å	1.51Å
C6	C5	doub	1.38Å	1.40Å	Aromatic
C10	C5	sing	1.38Å	1.40Å	Aromatic
N16	C15	sing	1.40Å	1.41Å
C5	C4	sing	1.51Å	1.52Å
C18	N19	sing	1.35Å	1.30Å	Aromatic
C18	N22	doub	1.31Å	1.34Å	Aromatic
C15	C30	doub	1.39Å	1.40Å	Aromatic
C15	C14	sing	1.39Å	1.41Å	Aromatic
N19	C20	sing	1.37Å	1.34Å	Aromatic
C30	C11	sing	1.40Å	1.41Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
N3	C4	sing	1.46Å	1.48Å
N3	C2	sing	1.35Å	1.37Å
C25	C26	doub	1.38Å	1.38Å	Aromatic
C25	C24	sing	1.40Å	1.41Å	Aromatic
C11	C2	sing	1.48Å	1.50Å
C11	C12	doub	1.40Å	1.41Å	Aromatic
C13	C12	sing	1.38Å	1.40Å	Aromatic
N22	N21	sing	1.29Å	1.39Å	Aromatic
C20	C24	sing	1.48Å	1.48Å
C20	N21	doub	1.32Å	1.31Å	Aromatic
C2	O1	doub	1.22Å	1.22Å
C26	N27	sing	1.32Å	1.33Å	Aromatic
C24	C29	doub	1.40Å	1.41Å	Aromatic
N27	C28	doub	1.32Å	1.33Å	Aromatic
C29	C28	sing	1.38Å	1.38Å	Aromatic
N3	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C26	H11	sing	1.08Å	1.08Å
C28	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
N16	H16	sing	0.97Å	1.00Å
N19	H17	sing	0.97Å	1.00Å
C25	H18	sing	1.08Å	1.08Å
C29	H19	sing	1.08Å	1.08Å
C30	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C9	120.0°	120.0°
C8	C7	C6	120.1°	120.0°
C8	C7	H5	120.0°	120.0°
C7	C8	H6	120.0°	120.0°
C8	C9	C10	120.0°	120.0°
C9	C8	H6	120.0°	120.0°
C8	C9	H13	120.0°	120.1°
C7	C6	C5	120.3°	120.0°
C7	C6	H4	119.9°	120.0°
C6	C7	H5	119.9°	120.0°
C9	C10	C5	120.2°	120.0°
C9	C10	H7	119.9°	119.9°
C10	C9	H13	120.0°	120.0°
N16	C17	C18	109.7°	109.4°
C17	N16	C15	124.4°	120.0°
N16	C17	H9	109.4°	109.5°
N16	C17	H10	109.4°	109.5°
C17	N16	H16	105.6°	120.0°
C17	C18	N19	126.4°	126.2°
C17	C18	N22	125.4°	126.2°
C18	C17	H9	109.4°	109.4°
C18	C17	H10	109.4°	109.5°
C6	C5	C10	119.4°	120.0°
C6	C5	C4	120.0°	120.0°
C5	C6	H4	119.8°	120.0°
C10	C5	C4	120.6°	120.1°
C5	C10	H7	119.9°	120.0°
N16	C15	C30	117.7°	120.0°
N16	C15	C14	122.7°	120.0°
C15	N16	H16	105.6°	119.9°
C5	C4	N3	110.8°	109.5°
C5	C4	H2	109.1°	109.5°
C5	C4	H3	109.1°	109.4°
N19	C18	N22	108.2°	107.5°
C18	N19	C20	109.4°	105.9°
C18	N19	H17	125.3°	127.0°
C18	N22	N21	106.8°	110.0°
C30	C15	C14	119.6°	120.0°
C15	C30	C11	121.0°	119.8°
C15	C30	H20	119.5°	120.2°
C15	C14	C13	120.0°	120.2°
C15	C14	H15	120.0°	119.9°
N19	C20	C24	127.1°	126.6°
N19	C20	N21	108.8°	107.0°
C20	N19	H17	125.3°	127.1°
C30	C11	C2	120.2°	120.1°
C30	C11	C12	118.3°	119.7°
C11	C30	H20	119.5°	120.0°
C14	C13	C12	120.5°	120.2°
C14	C13	H8	119.7°	119.9°
C13	C14	H15	120.0°	119.9°
C4	N3	C2	124.3°	120.0°
C4	N3	H1	117.8°	120.0°
N3	C4	H2	109.1°	109.5°
N3	C4	H3	109.1°	109.5°
N3	C2	C11	119.4°	120.0°
N3	C2	O1	120.4°	120.0°
C2	N3	H1	117.8°	119.9°
C26	C25	C24	118.4°	119.0°
C25	C26	N27	120.6°	120.9°
C25	C26	H11	119.7°	119.6°
C26	C25	H18	120.8°	120.4°
C25	C24	C20	121.1°	120.9°
C25	C24	C29	118.9°	118.1°
C24	C25	H18	120.8°	120.5°
C2	C11	C12	121.5°	120.1°
C11	C2	O1	120.2°	120.0°
C11	C12	C13	120.6°	120.0°
C11	C12	H14	119.7°	120.0°
C12	C13	H8	119.8°	119.9°
C13	C12	H14	119.7°	120.0°
N22	N21	C20	106.8°	109.5°
C24	C20	N21	124.1°	126.5°
C20	C24	C29	119.9°	121.0°
C26	N27	C28	123.0°	122.0°
N27	C26	H11	119.7°	119.6°
C24	C29	C28	118.9°	119.0°
C24	C29	H19	120.6°	120.4°
N27	C28	C29	120.2°	120.9°
N27	C28	H12	119.9°	119.5°
C29	C28	H12	119.9°	119.6°
C28	C29	H19	120.6°	120.6°
H2	C4	H3	109.5°	109.4°
H9	C17	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C9	H6	180.0°	179.9°
C8	C7	C6	H5	180.0°	179.9°
C7	C8	C9	C10	0.1°	0.2°
C8	C7	C6	C5	0.0°	0.0°
C8	C7	C6	H4	180.0°	180.0°
C7	C8	C9	H13	179.9°	179.9°
C9	C8	C7	C6	0.0°	0.0°
C8	C9	C10	H13	180.0°	179.8°
C8	C9	C10	C5	0.3°	0.6°
C9	C8	C7	H5	180.0°	180.0°
C8	C9	C10	H7	179.7°	179.8°
C7	C6	C5	H4	180.0°	180.0°
C7	C6	C5	C10	0.2°	0.3°
C7	C6	C5	C4	179.9°	180.0°
C6	C7	C8	H6	180.0°	179.9°
C9	C10	C5	C6	0.3°	0.6°
C9	C10	C5	H7	180.0°	179.7°
C9	C10	C5	C4	180.0°	179.7°
C10	C9	C8	H6	179.9°	179.8°
N16	C17	C18	H9	120.0°	119.9°
N16	C17	C18	H10	120.0°	120.0°
C17	N16	C15	H16	122.0°	180.0°
N16	C17	C18	N19	161.1°	95.0°
N16	C17	C18	N22	18.2°	84.9°
C17	N16	C15	C30	176.0°	180.0°
C17	N16	C15	C14	4.0°	0.2°
N16	C17	H9	H10	119.9°	120.0°
C18	C17	N16	C15	85.3°	180.0°
C17	C18	N19	N22	179.4°	179.9°
C17	C18	N19	C20	179.4°	179.9°
C17	C18	N22	N21	179.6°	179.9°
C18	C17	H9	H10	119.9°	120.1°
C18	C17	N16	H16	152.7°	0.0°
C17	C18	N19	H17	0.7°	0.0°
C6	C5	C10	C4	179.7°	179.7°
C6	C5	C4	N3	117.2°	90.0°
C6	C5	C4	H2	3.0°	30.1°
C6	C5	C4	H3	122.6°	150.0°
C5	C6	C7	H5	180.0°	179.9°
C6	C5	C10	H7	179.7°	179.8°
C10	C5	C4	N3	63.1°	90.3°
C10	C5	C4	H2	176.7°	149.6°
C10	C5	C4	H3	57.1°	29.7°
C10	C5	C6	H4	179.8°	179.7°
C5	C10	C9	H13	179.7°	179.6°
N16	C15	C30	C14	180.0°	179.8°
N16	C15	C30	C11	179.8°	180.0°
N16	C15	C14	C13	180.0°	179.8°
C15	N16	C17	H9	154.7°	60.0°
C15	N16	C17	H10	34.8°	60.0°
N16	C15	C14	H15	0.0°	0.2°
N16	C15	C30	H20	0.2°	0.2°
C5	C4	N3	H2	120.2°	120.1°
C5	C4	N3	H3	120.2°	120.0°
C5	C4	N3	C2	156.7°	180.0°
C5	C4	N3	H1	23.3°	0.3°
C5	C4	H2	H3	119.4°	119.9°
C4	C5	C6	H4	0.1°	0.0°
C4	C5	C10	H7	0.1°	0.0°
C18	N19	C20	H17	180.0°	180.0°
N19	C18	N22	N21	0.1°	0.0°
C18	N19	C20	C24	178.7°	180.0°
C18	N19	C20	N21	0.3°	0.2°
N19	C18	C17	H9	78.9°	24.9°
N19	C18	C17	H10	41.1°	145.0°
N22	C18	N19	C20	0.1°	0.1°
C18	N22	N21	C20	0.3°	0.2°
N22	C18	C17	H9	101.8°	155.2°
N22	C18	C17	H10	138.3°	35.1°
N22	C18	N19	H17	179.9°	179.9°
C15	C30	C11	H20	180.0°	179.8°
C30	C15	C14	C13	0.0°	0.0°
C15	C30	C11	C2	179.4°	180.0°
C15	C30	C11	C12	0.1°	0.5°
C30	C15	C14	H15	180.0°	180.0°
C30	C15	N16	H16	54.0°	0.1°
C14	C15	C30	C11	0.2°	0.2°
C15	C14	C13	H15	180.0°	180.0°
C15	C14	C13	C12	0.2°	0.0°
C15	C14	C13	H8	179.8°	179.7°
C14	C15	N16	H16	126.0°	179.7°
C14	C15	C30	H20	179.8°	180.0°
N19	C20	C24	C25	0.2°	0.5°
N19	C20	N21	N22	0.3°	0.3°
N19	C20	C24	N21	178.2°	179.7°
N19	C20	C24	C29	178.3°	179.7°
C30	C11	C2	N3	17.6°	179.5°
C30	C11	C2	C12	179.5°	179.5°
C30	C11	C12	C13	0.0°	0.5°
C30	C11	C2	O1	163.0°	0.5°
C30	C11	C12	H14	180.0°	179.5°
C14	C13	C12	C11	0.2°	0.3°
C14	C13	C12	H8	180.0°	179.7°
C14	C13	C12	H14	179.8°	179.7°
C4	N3	C2	H1	180.0°	179.7°
C4	N3	C2	C11	180.0°	180.0°
C4	N3	C2	O1	0.5°	0.0°
N3	C4	H2	H3	119.4°	120.0°
N3	C2	C11	O1	179.5°	180.0°
N3	C2	C11	C12	162.0°	0.0°
C2	N3	C4	H2	36.6°	59.9°
C2	N3	C4	H3	83.1°	60.0°
C26	C25	C24	H18	180.0°	180.0°
C26	C25	C24	C20	178.9°	180.0°
C25	C26	N27	H11	180.0°	179.7°
C26	C25	C24	C29	0.9°	0.2°
C25	C26	N27	C28	0.2°	0.2°
C25	C24	C20	C29	178.0°	179.8°
C25	C24	C20	N21	178.0°	179.7°
C24	C25	C26	N27	0.3°	0.0°
C25	C24	C29	C28	0.9°	0.3°
C24	C25	C26	H11	179.6°	179.7°
C25	C24	C29	H19	179.2°	179.7°
C2	C11	C12	C13	179.6°	180.0°
C11	C2	N3	H1	0.0°	0.3°
C2	C11	C12	H14	0.4°	0.1°
C2	C11	C30	H20	0.6°	0.3°
C11	C12	C13	H14	180.0°	180.0°
C12	C11	C2	O1	17.5°	180.0°
C11	C12	C13	H8	179.8°	180.0°
C12	C11	C30	H20	179.8°	179.8°
C12	C13	C14	H15	179.9°	180.0°
N22	N21	C20	C24	178.9°	180.0°
C20	C24	C29	C28	178.9°	180.0°
C24	C20	N19	H17	1.2°	0.0°
C20	C24	C25	H18	1.0°	0.0°
C20	C24	C29	H19	1.1°	0.1°
N21	C20	C24	C29	0.0°	0.0°
N21	C20	N19	H17	179.7°	179.8°
O1	C2	N3	H1	179.5°	179.7°
C26	N27	C28	C29	0.2°	0.2°
C26	N27	C28	H12	179.7°	180.0°
N27	C26	C25	H18	179.6°	180.0°
C24	C29	C28	N27	0.3°	0.1°
C24	C29	C28	H19	180.0°	180.0°
C24	C29	C28	H12	179.7°	179.8°
C29	C24	C25	H18	179.1°	179.8°
N27	C28	C29	H12	180.0°	179.8°
C28	N27	C26	H11	179.8°	179.9°
N27	C28	C29	H19	179.7°	179.9°
H1	N3	C4	H2	143.4°	119.8°
H1	N3	C4	H3	97.0°	120.3°
H4	C6	C7	H5	0.1°	0.1°
H5	C7	C8	H6	0.0°	0.0°
H6	C8	C9	H13	0.1°	0.0°
H7	C10	C9	H13	0.3°	0.0°
H8	C13	C12	H14	0.2°	0.0°
H8	C13	C14	H15	0.2°	0.3°
H9	C17	N16	H16	32.6°	120.0°
H10	C17	N16	H16	87.3°	120.0°
H11	C26	C25	H18	0.4°	0.3°
H12	C28	C29	H19	0.2°	0.3°

Release date:	2017-07-26
Definition date:	2017-02-27
Last modified:	2017-07-21
Release status:	REL
Processing site:	RCSB
Derived from:	5UVC