FJR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O02	C03	sing	1.36Å	1.37Å
C03	C02	sing	1.38Å	1.39Å	Aromatic
C03	C17	doub	1.39Å	1.38Å	Aromatic
O01	C17	sing	1.36Å	1.36Å
O01	C19	sing	1.36Å	1.37Å
N02	C19	doub	1.31Å	1.36Å
C02	C01	doub	1.39Å	1.39Å	Aromatic
C17	C16	sing	1.41Å	1.38Å	Aromatic
C19	C14	sing	1.48Å	1.48Å
C08	C04	doub	1.38Å	1.39Å	Aromatic
C08	C09	sing	1.39Å	1.38Å	Aromatic
C04	C05	sing	1.38Å	1.39Å	Aromatic
C01	C00	sing	1.38Å	1.39Å	Aromatic
C16	C00	doub	1.40Å	1.39Å	Aromatic
C16	C15	sing	1.46Å	1.39Å
N01	C09	sing	1.40Å	1.35Å
N01	C13	sing	1.35Å	1.34Å
C14	C15	doub	1.39Å	1.39Å
C14	C13	sing	1.47Å	1.50Å
C09	C07	doub	1.39Å	1.40Å	Aromatic
C13	O04	doub	1.22Å	1.23Å
C05	C20	sing	1.51Å	1.51Å
C05	C06	doub	1.38Å	1.39Å	Aromatic
C07	C06	sing	1.38Å	1.39Å	Aromatic
C00	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.08Å	1.08Å
C02	H3	sing	1.08Å	1.08Å
C04	H4	sing	1.08Å	1.08Å
C06	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
C08	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.09Å	1.10Å
C20	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
N01	H12	sing	0.97Å	1.00Å
N02	H13	sing	0.97Å	1.00Å
O02	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O02	C03	C02	120.9°	120.0°
O02	C03	C17	119.0°	120.1°
C03	O02	H15	109.5°	114.0°
C02	C03	C17	120.1°	119.9°
C03	C02	C01	120.1°	120.6°
C03	C02	H3	119.9°	119.7°
C03	C17	O01	118.7°	120.6°
C03	C17	C16	120.3°	119.6°
C17	O01	C19	121.7°	117.0°
O01	C17	C16	121.0°	119.9°
O01	C19	N02	120.4°	120.7°
O01	C19	C14	118.4°	118.2°
N02	C19	C14	121.3°	121.0°
C19	N02	H13	112.0°	120.0°
C02	C01	C00	119.5°	120.5°
C02	C01	H2	120.3°	119.8°
C01	C02	H3	119.9°	119.7°
C17	C16	C00	119.7°	119.8°
C17	C16	C15	120.0°	119.5°
C19	C14	C15	118.0°	117.1°
C19	C14	C13	121.6°	121.5°
C04	C08	C09	120.2°	119.9°
C08	C04	C05	119.9°	120.1°
C08	C04	H4	120.0°	119.9°
C04	C08	H7	119.9°	120.1°
C08	C09	N01	118.0°	120.1°
C08	C09	C07	120.0°	119.8°
C09	C08	H7	119.9°	120.0°
C04	C05	C20	120.4°	119.9°
C04	C05	C06	120.0°	120.2°
C05	C04	H4	120.1°	120.0°
C01	C00	C16	120.3°	119.7°
C01	C00	H1	119.8°	120.1°
C00	C01	H2	120.3°	119.7°
C00	C16	C15	120.3°	120.7°
C16	C00	H1	119.9°	120.1°
C16	C15	C14	120.9°	117.4°
C16	C15	H8	119.5°	121.3°
C09	N01	C13	126.8°	120.0°
N01	C09	C07	121.9°	120.0°
C09	N01	H12	116.6°	120.0°
N01	C13	C14	117.9°	120.0°
N01	C13	O04	124.4°	120.0°
C13	N01	H12	116.6°	120.0°
C15	C14	C13	120.4°	121.5°
C14	C15	H8	119.6°	121.3°
C14	C13	O04	117.6°	120.0°
C09	C07	C06	119.9°	119.9°
C09	C07	H6	120.0°	120.1°
C20	C05	C06	119.6°	120.0°
C05	C20	H9	109.5°	109.5°
C05	C20	H10	109.5°	109.4°
C05	C20	H11	109.5°	109.5°
C05	C06	C07	120.0°	120.1°
C05	C06	H5	120.0°	120.0°
C07	C06	H5	120.0°	120.0°
C06	C07	H6	120.1°	120.0°
H9	C20	H10	109.4°	109.5°
H9	C20	H11	109.4°	109.5°
H10	C20	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O02	C03	C02	C17	179.2°	179.9°
O02	C03	C17	O01	1.4°	0.2°
O02	C03	C02	C01	178.7°	179.9°
O02	C03	C17	C16	178.8°	179.6°
O02	C03	C02	H3	1.3°	0.0°
C02	C03	C17	O01	179.4°	179.7°
C03	C02	C01	H3	180.0°	179.9°
C02	C03	C17	C16	0.4°	0.4°
C03	C02	C01	C00	0.4°	0.1°
C03	C02	C01	H2	179.5°	180.0°
C02	C03	O02	H15	180.0°	90.0°
C03	C17	O01	C16	179.8°	179.9°
C03	C17	O01	C19	179.5°	152.7°
C17	C03	C02	C01	0.6°	0.0°
C03	C17	C16	C00	0.2°	0.8°
C03	C17	C16	C15	179.9°	179.3°
C17	C03	C02	H3	179.5°	180.0°
C17	C03	O02	H15	0.8°	90.1°
C17	O01	C19	N02	179.4°	139.1°
C17	O01	C19	C14	1.0°	40.0°
O01	C17	C16	C00	179.6°	179.3°
O01	C17	C16	C15	0.3°	0.5°
O01	C19	N02	C14	179.6°	179.1°
C19	O01	C17	C16	0.7°	27.2°
O01	C19	C14	C15	1.0°	25.7°
O01	C19	C14	C13	179.5°	154.3°
O01	C19	N02	H13	0.0°	0.9°
N02	C19	C14	C15	179.5°	153.4°
N02	C19	C14	C13	0.9°	26.6°
C02	C01	C00	H2	180.0°	180.0°
C02	C01	C00	C16	0.2°	0.3°
C02	C01	C00	H1	179.8°	180.0°
C17	C16	C00	C01	0.1°	0.8°
C17	C16	C00	C15	179.9°	179.9°
C17	C16	C15	C14	0.3°	13.0°
C17	C16	C00	H1	179.9°	179.5°
C17	C16	C15	H8	179.7°	167.6°
C19	C14	C15	C16	0.6°	0.7°
C19	C14	C13	N01	8.5°	0.0°
C19	C14	C15	C13	178.6°	180.0°
C19	C14	C13	O04	174.2°	180.0°
C19	C14	C15	H8	179.4°	179.9°
C14	C19	N02	H13	179.6°	180.0°
C04	C08	C09	H7	180.0°	179.5°
C08	C04	C05	H4	180.0°	179.7°
C04	C08	C09	N01	179.1°	180.0°
C04	C08	C09	C07	0.6°	0.5°
C08	C04	C05	C20	179.5°	179.7°
C08	C04	C05	C06	0.3°	0.3°
C09	C08	C04	C05	0.2°	0.5°
C08	C09	N01	C07	178.5°	179.5°
C08	C09	N01	C13	141.8°	144.9°
C08	C09	C07	C06	1.3°	0.2°
C09	C08	C04	H4	179.8°	179.8°
C08	C09	C07	H6	178.7°	179.8°
C08	C09	N01	H12	38.2°	35.0°
C04	C05	C20	C06	179.7°	180.0°
C04	C05	C06	C07	0.4°	0.0°
C04	C05	C06	H5	179.6°	180.0°
C05	C04	C08	H7	179.8°	180.0°
C04	C05	C20	H9	90.1°	90.0°
C04	C05	C20	H10	149.9°	150.0°
C04	C05	C20	H11	29.9°	30.0°
C01	C00	C16	H1	180.0°	179.7°
C01	C00	C16	C15	180.0°	179.4°
C00	C01	C02	H3	179.6°	180.0°
C00	C16	C15	C14	179.6°	167.1°
C16	C00	C01	H2	179.8°	179.6°
C00	C16	C15	H8	0.4°	12.3°
C16	C15	C14	H8	180.0°	179.4°
C16	C15	C14	C13	179.2°	179.3°
C15	C16	C00	H1	0.0°	0.3°
C09	N01	C13	H12	180.0°	179.9°
C09	N01	C13	C14	173.5°	175.4°
C09	N01	C13	O04	3.5°	4.6°
N01	C09	C07	C06	179.8°	179.7°
N01	C09	C07	H6	0.2°	0.3°
N01	C09	C08	H7	0.9°	0.5°
N01	C13	C14	C15	170.0°	180.0°
N01	C13	C14	O04	177.2°	180.0°
C13	N01	C09	C07	39.7°	35.6°
C15	C14	C13	O04	7.2°	0.0°
C13	C14	C15	H8	0.8°	0.1°
C14	C13	N01	H12	6.5°	4.5°
C09	C07	C06	C05	1.2°	0.1°
C09	C07	C06	H6	180.0°	180.0°
C09	C07	C06	H5	178.8°	180.0°
C07	C09	C08	H7	179.4°	180.0°
C07	C09	N01	H12	140.3°	144.5°
O04	C13	N01	H12	176.5°	175.5°
C20	C05	C06	C07	179.8°	179.9°
C20	C05	C04	H4	0.5°	0.1°
C20	C05	C06	H5	0.2°	0.0°
C05	C20	H9	H10	120.0°	119.9°
C05	C20	H9	H11	120.0°	120.0°
C05	C20	H10	H11	120.0°	120.0°
C05	C06	C07	H5	180.0°	179.9°
C06	C05	C04	H4	179.7°	179.9°
C05	C06	C07	H6	178.8°	180.0°
C06	C05	C20	H9	90.1°	90.0°
C06	C05	C20	H10	29.9°	30.0°
C06	C05	C20	H11	149.9°	150.0°
H1	C00	C01	H2	0.2°	0.1°
H2	C01	C02	H3	0.4°	0.0°
H4	C04	C08	H7	0.2°	0.3°
H5	C06	C07	H6	1.2°	0.0°
H9	C20	H10	H11	119.9°	120.0°

Release date:	2020-09-23
Definition date:	2020-05-27
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	7C7G