N8I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C26	C27	doub	1.38Å	1.39Å	Aromatic
C26	C25	sing	1.38Å	1.39Å	Aromatic
C27	C28	sing	1.38Å	1.39Å	Aromatic
C25	C24	doub	1.38Å	1.39Å	Aromatic
C28	C23	doub	1.39Å	1.39Å	Aromatic
C24	C23	sing	1.40Å	1.39Å	Aromatic
C23	C22	sing	1.48Å	1.40Å
C22	C21	doub	1.38Å	1.39Å	Aromatic
C22	C29	sing	1.42Å	1.40Å	Aromatic
C21	C20	sing	1.41Å	1.41Å	Aromatic
C29	C30	doub	1.35Å	1.40Å	Aromatic
C20	N19	doub	1.32Å	1.34Å	Aromatic
C20	N31	sing	1.38Å	1.30Å	Aromatic
N19	C12	sing	1.34Å	1.33Å	Aromatic
C30	N31	sing	1.37Å	1.34Å	Aromatic
N31	C11	sing	1.37Å	1.35Å	Aromatic
C12	C11	doub	1.38Å	1.40Å	Aromatic
C12	C13	sing	1.48Å	1.40Å
C14	C13	doub	1.40Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C11	N10	sing	1.39Å	1.44Å
C13	C18	sing	1.39Å	1.39Å	Aromatic
C15	C16	doub	1.38Å	1.39Å	Aromatic
C08	C09	doub	1.39Å	1.39Å	Aromatic
C08	C07	sing	1.38Å	1.39Å	Aromatic
N10	C09	sing	1.40Å	1.46Å
C09	C32	sing	1.39Å	1.39Å	Aromatic
C07	C06	doub	1.38Å	1.39Å	Aromatic
C18	C17	doub	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
O04	P02	doub	1.48Å	1.53Å
C32	C33	doub	1.38Å	1.38Å	Aromatic
C06	C33	sing	1.38Å	1.39Å	Aromatic
C06	C05	sing	1.51Å	1.52Å
C05	P02	sing	1.82Å	1.85Å
P02	O01	sing	1.61Å	1.52Å
P02	O03	sing	1.61Å	1.51Å
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
C24	H4	sing	1.08Å	1.08Å
C26	H5	sing	1.08Å	1.08Å
C28	H6	sing	1.08Å	1.08Å
C05	H7	sing	1.09Å	1.10Å
C05	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.08Å	1.08Å
C08	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
C25	H14	sing	1.08Å	1.08Å
C27	H15	sing	1.08Å	1.08Å
C29	H16	sing	1.08Å	1.08Å
C30	H17	sing	1.08Å	1.08Å
C32	H18	sing	1.08Å	1.08Å
C33	H19	sing	1.08Å	1.08Å
N10	H20	sing	0.97Å	1.00Å
O01	H21	sing	0.97Å	0.95Å
O03	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C27	C26	C25	119.8°	120.3°
C26	C27	C28	120.3°	120.1°
C27	C26	H5	120.1°	119.9°
C26	C27	H15	119.8°	120.0°
C26	C25	C24	119.9°	120.1°
C25	C26	H5	120.1°	119.9°
C26	C25	H14	120.1°	120.0°
C27	C28	C23	120.0°	119.9°
C27	C28	H6	120.0°	120.1°
C28	C27	H15	119.8°	119.9°
C25	C24	C23	120.3°	119.8°
C25	C24	H4	119.9°	120.1°
C24	C25	H14	120.1°	119.9°
C28	C23	C24	119.7°	119.7°
C28	C23	C22	119.3°	120.1°
C23	C28	H6	120.0°	120.1°
C24	C23	C22	121.0°	120.1°
C23	C24	H4	119.8°	120.1°
C23	C22	C21	119.7°	120.3°
C23	C22	C29	122.2°	120.3°
C21	C22	C29	118.1°	119.4°
C22	C21	C20	118.6°	119.2°
C22	C21	H3	120.7°	120.4°
C22	C29	C30	119.9°	120.2°
C22	C29	H16	120.1°	119.9°
C21	C20	N19	128.6°	131.8°
C21	C20	N31	121.9°	119.6°
C20	C21	H3	120.7°	120.4°
C29	C30	N31	120.1°	120.9°
C30	C29	H16	120.0°	119.9°
C29	C30	H17	119.9°	119.5°
N19	C20	N31	109.5°	108.5°
C20	N19	C12	108.8°	109.3°
C20	N31	C30	121.4°	120.7°
C20	N31	C11	108.5°	107.3°
N19	C12	C11	106.1°	108.1°
N19	C12	C13	125.0°	126.0°
C30	N31	C11	130.1°	132.1°
N31	C30	H17	119.9°	119.6°
N31	C11	C12	107.1°	106.8°
N31	C11	N10	125.5°	126.6°
C11	C12	C13	128.9°	126.0°
C12	C11	N10	127.4°	126.6°
C12	C13	C14	118.7°	120.1°
C12	C13	C18	122.4°	120.2°
C13	C14	C15	121.0°	119.8°
C14	C13	C18	118.9°	119.7°
C13	C14	H11	119.5°	120.1°
C14	C15	C16	120.0°	120.2°
C14	C15	H1	120.0°	119.9°
C15	C14	H11	119.5°	120.1°
C11	N10	C09	122.7°	120.0°
C11	N10	H20	118.7°	120.0°
C13	C18	C17	120.1°	119.9°
C13	C18	H13	120.0°	120.0°
C15	C16	C17	119.2°	120.3°
C16	C15	H1	120.0°	119.9°
C15	C16	H12	120.4°	119.9°
C09	C08	C07	119.3°	119.9°
C08	C09	N10	122.4°	120.0°
C08	C09	C32	120.1°	119.9°
C09	C08	H10	120.3°	120.1°
C08	C07	C06	120.0°	120.1°
C08	C07	H9	120.0°	120.0°
C07	C08	H10	120.3°	120.0°
N10	C09	C32	117.5°	120.1°
C09	N10	H20	118.6°	120.0°
C09	C32	C33	120.7°	119.9°
C09	C32	H18	119.7°	120.0°
C07	C06	C33	120.3°	120.2°
C07	C06	C05	122.8°	119.9°
C06	C07	H9	120.0°	120.0°
C18	C17	C16	120.8°	120.2°
C18	C17	H2	119.6°	119.9°
C17	C18	H13	119.9°	120.1°
C16	C17	H2	119.6°	119.9°
C17	C16	H12	120.4°	119.8°
O04	P02	C05	109.6°	109.5°
O04	P02	O01	109.1°	109.5°
O04	P02	O03	109.5°	109.5°
C32	C33	C06	119.5°	120.1°
C33	C32	H18	119.6°	120.1°
C32	C33	H19	120.2°	120.0°
C33	C06	C05	116.9°	119.9°
C06	C33	H19	120.3°	120.0°
C06	C05	P02	118.2°	109.4°
C06	C05	H7	107.3°	109.5°
C06	C05	H8	107.3°	109.5°
C05	P02	O01	112.0°	109.4°
C05	P02	O03	104.5°	109.5°
P02	C05	H7	107.3°	109.5°
P02	C05	H8	107.2°	109.4°
O01	P02	O03	112.1°	109.5°
P02	O01	H21	109.5°	114.0°
P02	O03	H22	109.5°	114.0°
H7	C05	H8	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C27	C26	C25	H5	180.0°	179.7°
C26	C27	C28	H15	180.0°	179.7°
C27	C26	C25	C24	0.0°	0.0°
C26	C27	C28	C23	0.1°	0.6°
C26	C27	C28	H6	179.9°	180.0°
C27	C26	C25	H14	180.0°	180.0°
C25	C26	C27	C28	0.0°	0.3°
C26	C25	C24	H14	180.0°	180.0°
C26	C25	C24	C23	0.1°	0.0°
C26	C25	C24	H4	179.9°	179.7°
C25	C26	C27	H15	180.0°	180.0°
C27	C28	C23	H6	180.0°	179.5°
C27	C28	C23	C24	0.2°	0.5°
C27	C28	C23	C22	179.7°	179.4°
C28	C27	C26	H5	180.0°	180.0°
C25	C24	C23	C28	0.2°	0.2°
C25	C24	C23	H4	180.0°	179.7°
C25	C24	C23	C22	179.6°	179.7°
C24	C25	C26	H5	180.0°	179.7°
C28	C23	C24	C22	179.4°	179.9°
C28	C23	C22	C21	25.2°	65.0°
C28	C23	C22	C29	154.3°	115.0°
C28	C23	C24	H4	179.8°	180.0°
C23	C28	C27	H15	179.9°	179.7°
C24	C23	C22	C21	155.4°	114.9°
C24	C23	C22	C29	25.2°	65.0°
C24	C23	C28	H6	179.8°	180.0°
C23	C24	C25	H14	179.9°	180.0°
C23	C22	C21	C29	179.5°	180.0°
C23	C22	C21	C20	179.5°	180.0°
C23	C22	C29	C30	179.5°	179.9°
C23	C22	C21	H3	0.5°	0.1°
C22	C23	C24	H4	0.3°	0.0°
C22	C23	C28	H6	0.3°	0.0°
C23	C22	C29	H16	0.5°	0.0°
C22	C21	C20	H3	180.0°	179.9°
C21	C22	C29	C30	0.0°	0.0°
C22	C21	C20	N19	179.9°	180.0°
C22	C21	C20	N31	0.1°	0.3°
C21	C22	C29	H16	179.9°	180.0°
C29	C22	C21	C20	0.0°	0.0°
C22	C29	C30	H16	180.0°	180.0°
C22	C29	C30	N31	0.0°	0.4°
C29	C22	C21	H3	180.0°	180.0°
C22	C29	C30	H17	180.0°	180.0°
C21	C20	N19	N31	179.9°	179.7°
C21	C20	N19	C12	180.0°	179.7°
C21	C20	N31	C30	0.1°	0.6°
C21	C20	N31	C11	179.9°	179.8°
C29	C30	N31	C20	0.0°	0.7°
C29	C30	N31	H17	180.0°	179.6°
C29	C30	N31	C11	179.8°	179.8°
N19	C20	N31	C30	180.0°	179.6°
N19	C20	N31	C11	0.2°	0.0°
C20	N19	C12	C11	0.0°	0.0°
C20	N19	C12	C13	179.8°	180.0°
N19	C20	C21	H3	0.1°	0.0°
N31	C20	N19	C12	0.1°	0.0°
C20	N31	C30	C11	179.8°	179.5°
C20	N31	C11	C12	0.2°	0.0°
C20	N31	C11	N10	179.6°	180.0°
N31	C20	C21	H3	180.0°	179.7°
C20	N31	C30	H17	180.0°	179.7°
N19	C12	C11	N31	0.2°	0.0°
N19	C12	C11	C13	179.9°	180.0°
N19	C12	C13	C14	10.4°	145.2°
N19	C12	C11	N10	179.6°	180.0°
N19	C12	C13	C18	169.1°	35.0°
C30	N31	C11	C12	180.0°	179.5°
C30	N31	C11	N10	0.6°	0.4°
N31	C30	C29	H16	179.9°	179.7°
N31	C11	C12	N10	179.4°	180.0°
N31	C11	C12	C13	179.7°	180.0°
N31	C11	N10	C09	96.2°	75.6°
C11	N31	C30	H17	0.2°	0.2°
N31	C11	N10	H20	83.8°	104.4°
C11	C12	C13	C14	169.8°	34.8°
C11	C12	C13	C18	10.8°	145.0°
C12	C11	N10	C09	84.5°	104.4°
C12	C11	N10	H20	95.5°	75.6°
C12	C13	C14	C18	179.5°	179.8°
C12	C13	C14	C15	179.9°	179.7°
C13	C12	C11	N10	0.3°	0.0°
C12	C13	C18	C17	179.6°	180.0°
C12	C13	C14	H11	0.1°	0.2°
C12	C13	C18	H13	0.4°	0.1°
C13	C14	C15	H11	180.0°	179.9°
C13	C14	C15	C16	0.4°	0.0°
C14	C13	C18	C17	0.1°	0.2°
C13	C14	C15	H1	179.6°	179.7°
C14	C13	C18	H13	179.8°	179.7°
C15	C14	C13	C18	0.4°	0.0°
C14	C15	C16	H1	180.0°	179.7°
C14	C15	C16	C17	0.1°	0.2°
C14	C15	C16	H12	179.9°	179.8°
C11	N10	C09	C08	6.6°	173.5°
C11	N10	C09	H20	180.0°	179.9°
C11	N10	C09	C32	174.4°	6.5°
C13	C18	C17	H13	180.0°	179.9°
C13	C18	C17	C16	0.2°	0.5°
C13	C18	C17	H2	179.8°	180.0°
C18	C13	C14	H11	179.5°	180.0°
C15	C16	C17	C18	0.2°	0.5°
C15	C16	C17	H12	180.0°	180.0°
C15	C16	C17	H2	179.8°	180.0°
C16	C15	C14	H11	179.6°	180.0°
C09	C08	C07	H10	180.0°	180.0°
C08	C09	N10	C32	178.9°	180.0°
C09	C08	C07	C06	1.2°	0.0°
C08	C09	C32	C33	1.1°	0.1°
C09	C08	C07	H9	178.8°	180.0°
C08	C09	C32	H18	178.9°	180.0°
C08	C09	N10	H20	173.4°	6.6°
C07	C08	C09	N10	179.9°	180.0°
C07	C08	C09	C32	1.0°	0.0°
C08	C07	C06	H9	180.0°	180.0°
C08	C07	C06	C33	1.5°	0.0°
C08	C07	C06	C05	178.8°	179.8°
N10	C09	C32	C33	180.0°	180.0°
N10	C09	C08	H10	0.0°	0.0°
N10	C09	C32	H18	0.0°	0.0°
C09	C32	C33	H18	180.0°	180.0°
C09	C32	C33	C06	1.3°	0.1°
C32	C09	C08	H10	179.0°	180.0°
C09	C32	C33	H19	178.7°	179.7°
C32	C09	N10	H20	5.6°	173.4°
C07	C06	C33	C32	1.5°	0.0°
C07	C06	C33	C05	177.5°	179.8°
C07	C06	C05	P02	43.6°	89.8°
C07	C06	C05	H7	164.8°	30.2°
C07	C06	C05	H8	77.7°	150.3°
C06	C07	C08	H10	178.8°	180.0°
C07	C06	C33	H19	178.5°	179.7°
C18	C17	C16	H2	180.0°	179.6°
C18	C17	C16	H12	179.8°	179.5°
C17	C16	C15	H1	180.0°	180.0°
C16	C17	C18	H13	179.8°	179.4°
O04	P02	C05	C06	63.5°	55.0°
O04	P02	C05	O01	121.3°	120.0°
O04	P02	C05	O03	117.2°	120.0°
O04	P02	O01	O03	121.4°	120.0°
O04	P02	C05	H7	175.3°	65.0°
O04	P02	C05	H8	57.8°	175.0°
O04	P02	O01	H21	0.0°	60.1°
O04	P02	O03	H22	0.0°	180.0°
C32	C33	C06	H19	180.0°	179.6°
C32	C33	C06	C05	179.0°	179.7°
C33	C06	C05	P02	139.0°	90.0°
C33	C06	C05	H7	17.7°	150.0°
C33	C06	C05	H8	99.8°	29.9°
C33	C06	C07	H9	178.5°	180.0°
C06	C33	C32	H18	178.7°	180.0°
C06	C05	P02	H7	121.3°	120.0°
C06	C05	P02	H8	121.3°	119.9°
C06	C05	P02	O01	57.8°	175.0°
C06	C05	P02	O03	179.3°	65.0°
C06	C05	H7	H8	116.1°	120.0°
C05	C06	C07	H9	1.2°	0.3°
C05	C06	C33	H19	1.0°	0.1°
C05	P02	O01	O03	117.1°	120.0°
P02	C05	H7	H8	116.0°	120.0°
C05	P02	O01	H21	121.6°	179.9°
C05	P02	O03	H22	117.3°	60.0°
O01	P02	C05	H7	63.5°	55.0°
O01	P02	C05	H8	179.1°	65.1°
O01	P02	O03	H22	121.2°	60.0°
O03	P02	C05	H7	58.0°	175.0°
O03	P02	C05	H8	59.4°	55.0°
O03	P02	O01	H21	121.4°	59.9°
H1	C15	C14	H11	0.4°	0.2°
H1	C15	C16	H12	0.1°	0.0°
H2	C17	C16	H12	0.2°	0.0°
H2	C17	C18	H13	0.2°	0.1°
H4	C24	C25	H14	0.1°	0.3°
H5	C26	C25	H14	0.0°	0.3°
H5	C26	C27	H15	0.0°	0.3°
H6	C28	C27	H15	0.1°	0.2°
H9	C07	C08	H10	1.2°	0.0°
H16	C29	C30	H17	0.0°	0.1°
H18	C32	C33	H19	1.3°	0.3°

Release date:	2023-04-12
Definition date:	2022-03-24
Last modified:	2023-04-07
Release status:	REL
Processing site:	RCSB
Derived from:	7UFY