N5R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O17	S16	doub	1.42Å	1.46Å
C03	C04	doub	1.38Å	1.37Å	Aromatic
C03	C02	sing	1.38Å	1.38Å	Aromatic
C04	C07	sing	1.39Å	1.42Å	Aromatic
CL01	C02	sing	1.74Å	1.72Å
C02	C05	doub	1.38Å	1.41Å	Aromatic
S16	O18	doub	1.42Å	1.46Å
S16	C15	sing	1.76Å	1.77Å
S16	O19	sing	1.52Å	1.46Å
C07	N08	sing	1.40Å	1.50Å
C07	C06	doub	1.39Å	1.38Å	Aromatic
C15	C20	doub	1.36Å	1.39Å	Aromatic
C15	C14	sing	1.40Å	1.46Å	Aromatic
C20	C21	sing	1.39Å	1.41Å	Aromatic
N08	C09	sing	1.39Å	1.46Å
C05	C06	sing	1.38Å	1.37Å	Aromatic
C21	C22	doub	1.36Å	1.39Å	Aromatic
C14	C09	doub	1.41Å	1.45Å	Aromatic
C14	C13	sing	1.42Å	1.38Å	Aromatic
C09	C10	sing	1.38Å	1.41Å	Aromatic
C13	C22	sing	1.41Å	1.42Å	Aromatic
C13	C12	doub	1.41Å	1.44Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C12	C11	sing	1.36Å	1.40Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
C22	H4	sing	1.08Å	1.08Å
C03	H5	sing	1.08Å	1.08Å
C04	H6	sing	1.08Å	1.08Å
C05	H7	sing	1.08Å	1.08Å
C06	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
N08	H11	sing	0.97Å	1.00Å
O19	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O17	S16	O18	109.2°	123.1°
O17	S16	C15	110.9°	106.4°
O17	S16	O19	107.5°	106.4°
C04	C03	C02	120.2°	120.1°
C03	C04	C07	119.4°	120.0°
C04	C03	H5	119.9°	120.0°
C03	C04	H6	120.3°	120.0°
C03	C02	CL01	119.0°	120.0°
C03	C02	C05	120.4°	120.1°
C02	C03	H5	119.9°	120.0°
C04	C07	N08	121.8°	120.1°
C04	C07	C06	120.3°	119.8°
C07	C04	H6	120.3°	120.0°
CL01	C02	C05	120.6°	119.9°
C02	C05	C06	119.7°	120.0°
C02	C05	H7	120.2°	119.9°
O18	S16	C15	106.1°	106.4°
O18	S16	O19	109.4°	106.4°
C15	S16	O19	113.7°	107.2°
S16	C15	C20	113.9°	120.1°
S16	C15	C14	127.0°	120.2°
S16	O19	H12	109.5°	114.0°
N08	C07	C06	117.9°	120.1°
C07	N08	C09	124.5°	120.0°
C07	N08	H11	117.7°	120.1°
C07	C06	C05	120.1°	120.0°
C07	C06	H8	120.0°	120.0°
C20	C15	C14	119.1°	119.7°
C15	C20	C21	121.6°	120.9°
C15	C20	H2	119.2°	119.6°
C15	C14	C09	123.5°	121.3°
C15	C14	C13	118.5°	119.4°
C20	C21	C22	119.5°	121.0°
C21	C20	H2	119.2°	119.5°
C20	C21	H3	120.2°	119.5°
N08	C09	C14	120.0°	120.3°
N08	C09	C10	119.6°	120.3°
C09	N08	H11	117.7°	120.0°
C06	C05	H7	120.1°	120.0°
C05	C06	H8	120.0°	120.0°
C21	C22	C13	119.9°	119.7°
C22	C21	H3	120.3°	119.5°
C21	C22	H4	120.1°	120.2°
C09	C14	C13	118.1°	119.3°
C14	C09	C10	120.4°	119.4°
C14	C13	C22	121.5°	119.3°
C14	C13	C12	121.2°	119.5°
C09	C10	C11	120.6°	120.7°
C09	C10	H1	119.7°	119.6°
C22	C13	C12	117.3°	121.2°
C13	C22	H4	120.1°	120.2°
C13	C12	C11	120.3°	119.9°
C13	C12	H10	119.8°	120.1°
C10	C11	C12	119.4°	121.1°
C11	C10	H1	119.7°	119.6°
C10	C11	H9	120.3°	119.4°
C12	C11	H9	120.3°	119.5°
C11	C12	H10	119.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O17	S16	O18	C15	119.6°	123.0°
O17	S16	O18	O19	117.3°	122.9°
O17	S16	C15	O19	121.3°	113.5°
O17	S16	C15	C20	106.4°	121.4°
O17	S16	C15	C14	73.8°	58.7°
O17	S16	O19	H12	0.0°	66.5°
C04	C03	C02	H5	180.0°	179.9°
C03	C04	C07	H6	180.0°	180.0°
C04	C03	C02	CL01	179.5°	179.8°
C04	C03	C02	C05	0.6°	0.0°
C03	C04	C07	N08	179.4°	180.0°
C03	C04	C07	C06	0.7°	0.0°
C02	C03	C04	C07	0.6°	0.0°
C03	C02	CL01	C05	179.9°	179.7°
C03	C02	C05	C06	0.7°	0.0°
C02	C03	C04	H6	179.4°	180.0°
C03	C02	C05	H7	179.3°	180.0°
C04	C07	N08	C06	178.7°	180.0°
C04	C07	N08	C09	47.6°	153.7°
C04	C07	C06	C05	0.8°	0.1°
C07	C04	C03	H5	179.3°	180.0°
C04	C07	C06	H8	179.2°	180.0°
C04	C07	N08	H11	132.4°	26.3°
CL01	C02	C05	C06	179.4°	179.7°
CL01	C02	C03	H5	0.5°	0.3°
CL01	C02	C05	H7	0.6°	0.3°
C02	C05	C06	C07	0.8°	0.1°
C02	C05	C06	H7	180.0°	180.0°
C05	C02	C03	H5	179.3°	180.0°
C02	C05	C06	H8	179.2°	180.0°
O18	S16	C15	O19	120.3°	113.6°
O18	S16	C15	C20	12.1°	105.7°
O18	S16	C15	C14	167.8°	74.2°
O18	S16	O19	H12	118.4°	66.4°
S16	C15	C20	C14	179.9°	179.9°
S16	C15	C20	C21	179.8°	180.0°
S16	C15	C14	C09	0.3°	0.1°
S16	C15	C14	C13	179.8°	179.5°
S16	C15	C20	H2	0.2°	0.1°
C15	S16	O19	H12	123.2°	180.0°
O19	S16	C15	C20	132.3°	7.9°
O19	S16	C15	C14	47.5°	172.2°
C07	N08	C09	H11	180.0°	180.0°
N08	C07	C06	C05	179.6°	180.0°
C07	N08	C09	C14	165.8°	125.6°
C07	N08	C09	C10	14.7°	54.4°
N08	C07	C04	H6	0.6°	0.0°
N08	C07	C06	H8	0.4°	0.0°
C06	C07	N08	C09	133.7°	26.3°
C07	C06	C05	H8	180.0°	179.9°
C06	C07	C04	H6	179.3°	180.0°
C07	C06	C05	H7	179.2°	180.0°
C06	C07	N08	H11	46.4°	153.7°
C15	C20	C21	H2	180.0°	179.9°
C15	C20	C21	C22	0.5°	0.9°
C20	C15	C14	C09	179.6°	180.0°
C20	C15	C14	C13	0.4°	0.6°
C15	C20	C21	H3	179.5°	180.0°
C14	C15	C20	C21	0.3°	0.0°
C15	C14	C09	N08	0.5°	0.0°
C15	C14	C09	C13	180.0°	179.4°
C15	C14	C09	C10	180.0°	180.0°
C15	C14	C13	C22	0.6°	0.2°
C15	C14	C13	C12	179.2°	179.8°
C14	C15	C20	H2	179.7°	180.0°
C20	C21	C22	H3	180.0°	179.1°
C20	C21	C22	C13	0.7°	1.2°
C20	C21	C22	H4	179.3°	180.0°
N08	C09	C14	C10	179.5°	180.0°
N08	C09	C14	C13	179.4°	179.5°
N08	C09	C10	C11	179.4°	180.0°
N08	C09	C10	H1	0.6°	0.3°
C21	C22	C13	C14	0.8°	0.7°
C21	C22	C13	H4	180.0°	178.8°
C21	C22	C13	C12	179.5°	178.8°
C22	C21	C20	H2	179.5°	179.0°
C09	C14	C13	C22	179.3°	179.7°
C09	C14	C13	C12	0.7°	0.8°
C14	C09	C10	C11	0.1°	0.0°
C14	C09	C10	H1	179.9°	179.6°
C14	C09	N08	H11	14.1°	54.3°
C13	C14	C09	C10	0.0°	0.6°
C14	C13	C22	C12	178.7°	179.5°
C14	C13	C12	C11	1.4°	0.5°
C14	C13	C22	H4	179.2°	179.4°
C14	C13	C12	H10	178.6°	180.0°
C09	C10	C11	H1	180.0°	179.6°
C09	C10	C11	C12	0.6°	0.3°
C09	C10	C11	H9	179.4°	179.7°
C10	C09	N08	H11	165.3°	125.6°
C22	C13	C12	C11	179.9°	180.0°
C13	C22	C21	H3	179.3°	179.7°
C22	C13	C12	H10	0.1°	0.5°
C13	C12	C11	C10	1.3°	0.1°
C13	C12	C11	H10	180.0°	179.5°
C12	C13	C22	H4	0.5°	0.1°
C13	C12	C11	H9	178.7°	180.0°
C10	C11	C12	H9	180.0°	179.9°
C10	C11	C12	H10	178.7°	179.5°
C12	C11	C10	H1	179.4°	180.0°
H1	C10	C11	H9	0.6°	0.1°
H2	C20	C21	H3	0.5°	0.0°
H3	C21	C22	H4	0.8°	0.9°
H5	C03	C04	H6	0.7°	0.0°
H7	C05	C06	H8	0.8°	0.0°
H9	C11	C12	H10	1.3°	0.5°

Release date:	2023-04-12
Definition date:	2022-03-24
Last modified:	2023-04-07
Release status:	REL
Processing site:	RCSB
Derived from:	7UG1