QGI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C08	C07	sing	1.51Å	1.53Å
C24	C23	sing	1.51Å	1.52Å
C22	C23	doub	1.38Å	1.41Å	Aromatic
C22	C21	sing	1.38Å	1.41Å	Aromatic
C07	N06	doub	1.32Å	1.34Å	Aromatic
C07	C02	sing	1.38Å	1.42Å	Aromatic
C01	C02	sing	1.51Å	1.51Å
C23	C16	sing	1.39Å	1.42Å	Aromatic
N06	C05	sing	1.33Å	1.33Å	Aromatic
C02	C03	doub	1.38Å	1.40Å	Aromatic
C21	C19	doub	1.39Å	1.41Å	Aromatic
C05	N09	sing	1.38Å	1.40Å	Aromatic
C05	C04	doub	1.40Å	1.43Å	Aromatic
C03	C04	sing	1.39Å	1.40Å	Aromatic
C16	N09	sing	1.40Å	1.43Å
C16	C17	doub	1.39Å	1.40Å	Aromatic
N09	C10	sing	1.36Å	1.40Å	Aromatic
C04	C12	sing	1.48Å	1.43Å	Aromatic
C19	C17	sing	1.39Å	1.40Å	Aromatic
C19	O20	sing	1.36Å	1.38Å
C17	C18	sing	1.51Å	1.46Å
C10	C12	doub	1.39Å	1.38Å	Aromatic
C10	N11	sing	1.37Å	1.38Å
C12	C13	sing	1.42Å	1.47Å
C13	N14	sing	1.35Å	1.41Å
C13	O15	doub	1.22Å	1.24Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.09Å	1.10Å
C08	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
C21	H11	sing	1.08Å	1.08Å
C22	H12	sing	1.08Å	1.08Å
C24	H13	sing	1.09Å	1.10Å
C24	H14	sing	1.09Å	1.10Å
C24	H15	sing	1.09Å	1.10Å
N11	H16	sing	0.97Å	1.00Å
N11	H17	sing	0.97Å	1.00Å
N14	H18	sing	0.97Å	1.00Å
N14	H19	sing	0.97Å	1.00Å
O20	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C08	C07	N06	115.1°	119.2°
C08	C07	C02	121.1°	119.3°
C07	C08	H5	109.5°	109.5°
C07	C08	H6	109.5°	109.4°
C07	C08	H7	109.5°	109.5°
C24	C23	C22	119.3°	120.0°
C24	C23	C16	122.4°	120.0°
C23	C24	H13	109.5°	109.5°
C23	C24	H14	109.5°	109.5°
C23	C24	H15	109.5°	109.5°
C23	C22	C21	121.5°	120.2°
C22	C23	C16	118.3°	120.0°
C23	C22	H12	119.3°	119.9°
C22	C21	C19	118.5°	120.0°
C22	C21	H11	120.8°	120.0°
C21	C22	H12	119.3°	119.9°
N06	C07	C02	123.8°	121.5°
C07	N06	C05	116.5°	121.7°
C07	C02	C01	119.4°	120.4°
C07	C02	C03	118.3°	119.3°
C01	C02	C03	122.3°	120.4°
C02	C01	H1	109.5°	109.4°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C23	C16	N09	118.7°	120.0°
C23	C16	C17	121.1°	119.9°
N06	C05	N09	125.4°	132.5°
N06	C05	C04	125.8°	119.8°
C02	C03	C04	119.6°	118.1°
C02	C03	H4	120.2°	121.0°
C21	C19	C17	121.7°	120.0°
C21	C19	O20	121.8°	120.0°
C19	C21	H11	120.7°	120.0°
N09	C05	C04	108.7°	107.7°
C05	N09	C16	129.3°	124.7°
C05	N09	C10	106.6°	110.5°
C05	C04	C03	116.0°	119.6°
C05	C04	C12	106.7°	106.3°
C03	C04	C12	137.3°	134.0°
C04	C03	H4	120.2°	120.9°
N09	C16	C17	120.3°	120.1°
C16	N09	C10	124.1°	124.7°
C16	C17	C19	119.0°	119.9°
C16	C17	C18	121.8°	120.0°
N09	C10	C12	110.9°	109.2°
N09	C10	N11	120.9°	125.4°
C04	C12	C10	107.0°	106.1°
C04	C12	C13	131.0°	126.9°
C17	C19	O20	116.5°	120.0°
C19	C17	C18	119.1°	120.1°
C19	O20	H20	109.5°	114.0°
C17	C18	H8	109.5°	109.4°
C17	C18	H9	109.4°	109.4°
C17	C18	H10	109.5°	109.5°
C12	C10	N11	128.1°	125.3°
C10	C12	C13	121.9°	127.0°
C10	N11	H16	109.5°	120.0°
C10	N11	H17	109.5°	120.0°
C12	C13	N14	122.0°	120.0°
C12	C13	O15	120.3°	120.0°
N14	C13	O15	117.7°	120.1°
C13	N14	H18	120.0°	120.0°
C13	N14	H19	120.0°	120.0°
H1	C01	H2	109.4°	109.4°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.5°
H5	C08	H6	109.5°	109.5°
H5	C08	H7	109.5°	109.5°
H6	C08	H7	109.4°	109.5°
H8	C18	H9	109.5°	109.5°
H8	C18	H10	109.4°	109.5°
H9	C18	H10	109.5°	109.5°
H13	C24	H14	109.4°	109.4°
H13	C24	H15	109.5°	109.5°
H14	C24	H15	109.5°	109.4°
H16	N11	H17	109.5°	120.0°
H18	N14	H19	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C08	C07	N06	C02	179.3°	179.4°
C08	C07	C02	C01	1.0°	0.3°
C08	C07	N06	C05	179.7°	180.0°
C08	C07	C02	C03	179.9°	179.9°
C07	C08	H5	H6	120.0°	120.0°
C07	C08	H5	H7	120.0°	120.0°
C07	C08	H6	H7	120.0°	119.9°
C24	C23	C22	C16	179.2°	179.5°
C24	C23	C22	C21	179.6°	180.0°
C24	C23	C16	N09	0.5°	0.3°
C24	C23	C16	C17	179.4°	179.9°
C24	C23	C22	H12	0.3°	0.5°
C23	C24	H13	H14	120.0°	120.0°
C23	C24	H13	H15	120.0°	120.1°
C23	C24	H14	H15	120.0°	120.0°
C23	C22	C21	H12	180.0°	179.4°
C23	C22	C21	C19	2.2°	0.3°
C22	C23	C16	N09	178.7°	179.8°
C22	C23	C16	C17	0.2°	0.6°
C23	C22	C21	H11	177.9°	179.8°
C22	C23	C24	H13	90.4°	90.0°
C22	C23	C24	H14	149.6°	150.0°
C22	C23	C24	H15	29.6°	30.0°
C21	C22	C23	C16	1.1°	0.5°
C22	C21	C19	H11	180.0°	180.0°
C22	C21	C19	C17	2.3°	0.0°
C22	C21	C19	O20	179.1°	180.0°
N06	C07	C02	C01	179.7°	179.7°
N06	C07	C02	C03	0.8°	0.5°
C07	N06	C05	N09	179.6°	180.0°
C07	N06	C05	C04	0.4°	0.4°
N06	C07	C08	H5	0.0°	90.0°
N06	C07	C08	H6	120.0°	150.0°
N06	C07	C08	H7	120.0°	30.1°
C07	C02	C01	C03	178.9°	179.8°
C02	C07	N06	C05	0.4°	0.6°
C07	C02	C03	C04	0.5°	0.2°
C07	C02	C01	H1	90.6°	90.2°
C07	C02	C01	H2	149.4°	29.8°
C07	C02	C01	H3	29.4°	149.8°
C07	C02	C03	H4	179.5°	180.0°
C02	C07	C08	H5	179.3°	90.6°
C02	C07	C08	H6	59.3°	29.4°
C02	C07	C08	H7	60.6°	149.4°
C01	C02	C03	C04	179.4°	180.0°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	C03	H4	0.7°	0.3°
C23	C16	N09	C05	93.1°	90.3°
C23	C16	N09	C17	178.9°	179.7°
C23	C16	N09	C10	85.5°	89.4°
C23	C16	C17	C19	0.3°	0.3°
C23	C16	C17	C18	179.8°	179.7°
C16	C23	C22	H12	178.9°	180.0°
C16	C23	C24	H13	90.4°	90.5°
C16	C23	C24	H14	29.6°	29.5°
C16	C23	C24	H15	149.6°	149.5°
N06	C05	N09	C04	179.9°	179.6°
N06	C05	C04	C03	0.6°	0.1°
N06	C05	N09	C16	1.0°	0.3°
N06	C05	N09	C10	179.9°	180.0°
N06	C05	C04	C12	179.9°	179.9°
C02	C03	C04	C05	0.2°	0.0°
C02	C03	C04	H4	180.0°	179.8°
C02	C03	C04	C12	179.2°	180.0°
C03	C02	C01	H1	90.6°	90.0°
C03	C02	C01	H2	29.4°	150.0°
C03	C02	C01	H3	149.4°	30.0°
C21	C19	C17	C16	1.4°	0.0°
C21	C19	C17	O20	177.0°	179.9°
C21	C19	C17	C18	178.7°	180.0°
C19	C21	C22	H12	177.9°	179.7°
C21	C19	O20	H20	180.0°	90.1°
N09	C05	C04	C03	179.3°	179.8°
C05	N09	C16	C10	178.7°	179.7°
C05	N09	C16	C17	85.7°	90.0°
N09	C05	C04	C12	0.0°	0.2°
C05	N09	C10	C12	0.1°	0.3°
C05	N09	C10	N11	179.3°	179.8°
C05	C04	C03	C12	179.0°	180.0°
C04	C05	N09	C16	178.9°	179.9°
C04	C05	N09	C10	0.1°	0.3°
C05	C04	C12	C10	0.1°	0.0°
C05	C04	C12	C13	178.6°	180.0°
C05	C04	C03	H4	179.8°	179.8°
C03	C04	C12	C10	179.0°	180.0°
C03	C04	C12	C13	2.3°	0.1°
N09	C16	C17	C19	178.6°	180.0°
N09	C16	C17	C18	1.4°	0.0°
C16	N09	C10	C12	179.1°	180.0°
C16	N09	C10	N11	1.8°	0.1°
C17	C16	N09	C10	95.6°	90.3°
C16	C17	C19	C18	179.9°	180.0°
C16	C17	C19	O20	178.4°	180.0°
C16	C17	C18	H8	90.0°	90.0°
C16	C17	C18	H9	150.0°	150.0°
C16	C17	C18	H10	29.9°	30.0°
N09	C10	C12	C04	0.1°	0.2°
N09	C10	C12	N11	179.1°	179.8°
N09	C10	C12	C13	178.7°	179.7°
N09	C10	N11	H16	180.0°	179.7°
N09	C10	N11	H17	60.0°	0.2°
C04	C12	C10	C13	178.9°	179.9°
C04	C12	C10	N11	179.2°	180.0°
C04	C12	C13	N14	3.3°	90.0°
C04	C12	C13	O15	179.8°	90.0°
C12	C04	C03	H4	0.8°	0.3°
C19	C17	C18	H8	90.0°	90.0°
C19	C17	C18	H9	30.0°	30.0°
C19	C17	C18	H10	150.0°	150.0°
C17	C19	C21	H11	177.7°	180.0°
C17	C19	O20	H20	3.0°	90.0°
O20	C19	C17	C18	1.7°	0.0°
O20	C19	C21	H11	0.9°	0.0°
C17	C18	H8	H9	120.0°	119.9°
C17	C18	H8	H10	120.0°	120.0°
C17	C18	H9	H10	120.0°	120.0°
C10	C12	C13	N14	175.3°	90.1°
C10	C12	C13	O15	1.2°	89.9°
C12	C10	N11	H16	1.0°	0.1°
C12	C10	N11	H17	121.0°	180.0°
N11	C10	C12	C13	0.4°	0.1°
C10	N11	H16	H17	120.0°	179.9°
C12	C13	N14	O15	176.6°	180.0°
C12	C13	N14	H18	176.6°	0.0°
C12	C13	N14	H19	3.4°	179.9°
C13	N14	H18	H19	180.0°	179.9°
O15	C13	N14	H18	0.0°	180.0°
O15	C13	N14	H19	180.0°	0.1°
H1	C01	H2	H3	120.0°	120.0°
H5	C08	H6	H7	120.0°	120.0°
H8	C18	H9	H10	120.0°	120.1°
H11	C21	C22	H12	2.1°	0.3°
H13	C24	H14	H15	120.0°	120.0°

Release date:	2022-07-27
Definition date:	2022-06-09
Last modified:	2022-07-22
Release status:	REL
Processing site:	RCSB
Derived from:	8D6E