JKV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	sing	1.39Å	1.42Å
N06	C02	sing	1.36Å	1.32Å	Aromatic
N06	N05	sing	1.40Å	1.27Å	Aromatic
C02	C03	doub	1.36Å	1.31Å	Aromatic
N05	C04	doub	1.32Å	1.32Å	Aromatic
C03	C04	sing	1.41Å	1.37Å	Aromatic
C04	C07	sing	1.48Å	1.45Å
C07	C08	doub	1.39Å	1.35Å	Aromatic
C07	C13	sing	1.39Å	1.36Å	Aromatic
C08	C09	sing	1.38Å	1.36Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C09	C10	doub	1.39Å	1.35Å	Aromatic
C12	C10	sing	1.38Å	1.39Å	Aromatic
C10	CL11	sing	1.74Å	1.57Å
C13	H131	sing	1.08Å	1.08Å
N01	H011	sing	0.97Å	1.00Å
N01	H012	sing	0.97Å	1.00Å
C03	H031	sing	1.08Å	1.08Å
N06	H061	sing	0.97Å	1.00Å
C08	H081	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C02	N06	124.1°	126.2°
N01	C02	C03	129.7°	126.1°
C02	N01	H011	109.5°	120.0°
C02	N01	H012	109.5°	120.0°
C02	N06	N05	114.3°	108.1°
N06	C02	C03	106.2°	107.7°
C02	N06	H061	122.9°	126.0°
N06	N05	C04	103.9°	108.4°
N05	N06	H061	122.9°	125.9°
C02	C03	C04	105.2°	107.7°
C02	C03	H031	127.4°	126.1°
N05	C04	C03	110.4°	108.2°
N05	C04	C07	126.2°	126.0°
C03	C04	C07	123.3°	125.9°
C04	C03	H031	127.4°	126.2°
C04	C07	C08	120.5°	120.1°
C04	C07	C13	118.5°	120.1°
C08	C07	C13	121.0°	119.8°
C07	C08	C09	120.9°	119.9°
C07	C08	H081	119.5°	120.0°
C07	C13	C12	119.6°	119.9°
C07	C13	H131	120.2°	120.1°
C08	C09	C10	118.9°	120.1°
C09	C08	H081	119.5°	120.1°
C08	C09	H091	120.5°	120.0°
C13	C12	C10	117.9°	120.1°
C12	C13	H131	120.2°	120.0°
C13	C12	H121	121.0°	120.0°
C09	C10	C12	121.6°	120.2°
C09	C10	CL11	118.3°	119.9°
C10	C09	H091	120.5°	119.9°
C12	C10	CL11	120.1°	119.9°
C10	C12	H121	121.1°	119.9°
H011	N01	H012	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C02	N06	C03	179.6°	179.8°
N01	C02	N06	N05	179.4°	179.8°
N01	C02	C03	C04	179.6°	180.0°
C02	N01	H011	H012	120.0°	179.9°
N01	C02	C03	H031	0.3°	0.1°
N01	C02	N06	H061	0.6°	0.0°
C02	N06	N05	H061	180.0°	179.8°
C02	N06	N05	C04	0.4°	0.4°
N06	C02	C03	C04	0.1°	0.2°
N06	C02	N01	H011	180.0°	179.7°
N06	C02	N01	H012	60.0°	0.2°
N06	C02	C03	H031	179.9°	179.8°
N05	N06	C02	C03	0.2°	0.4°
N06	N05	C04	C03	0.4°	0.3°
N06	N05	C04	C07	179.5°	179.8°
C02	C03	C04	N05	0.3°	0.1°
C02	C03	C04	H031	180.0°	180.0°
C02	C03	C04	C07	179.6°	180.0°
C03	C02	N01	H011	0.5°	0.1°
C03	C02	N01	H012	119.5°	180.0°
C03	C02	N06	H061	179.8°	179.8°
N05	C04	C03	C07	179.9°	179.9°
N05	C04	C07	C08	1.0°	0.1°
N05	C04	C07	C13	179.8°	179.7°
N05	C04	C03	H031	179.7°	180.0°
C04	N05	N06	H061	179.6°	179.7°
C03	C04	C07	C08	178.9°	180.0°
C03	C04	C07	C13	0.1°	0.2°
C04	C07	C08	C13	178.7°	179.8°
C04	C07	C08	C09	179.1°	180.0°
C04	C07	C13	C12	179.6°	180.0°
C04	C07	C13	H131	0.4°	0.0°
C07	C04	C03	H031	0.4°	0.1°
C04	C07	C08	H081	0.9°	0.0°
C07	C08	C09	H081	180.0°	179.9°
C08	C07	C13	C12	1.7°	0.3°
C07	C08	C09	C10	2.9°	0.0°
C08	C07	C13	H131	178.3°	179.7°
C07	C08	C09	H091	177.1°	180.0°
C13	C07	C08	C09	2.2°	0.3°
C07	C13	C12	H131	180.0°	180.0°
C07	C13	C12	C10	1.8°	0.0°
C13	C07	C08	H081	177.8°	179.8°
C07	C13	C12	H121	178.2°	180.0°
C08	C09	C10	H091	180.0°	179.9°
C08	C09	C10	C12	3.1°	0.2°
C08	C09	C10	CL11	176.4°	180.0°
C13	C12	C10	C09	2.6°	0.2°
C13	C12	C10	H121	180.0°	180.0°
C13	C12	C10	CL11	176.9°	180.0°
C09	C10	C12	CL11	179.5°	179.8°
C10	C09	C08	H081	177.1°	180.0°
C09	C10	C12	H121	177.4°	179.8°
C10	C12	C13	H131	178.2°	180.0°
C12	C10	C09	H091	176.9°	179.7°
CL11	C10	C09	H091	3.6°	0.1°
CL11	C10	C12	H121	3.1°	0.0°
H131	C13	C12	H121	1.9°	0.0°
H081	C08	C09	H091	2.9°	0.1°

Release date:	2018-10-10
Definition date:	2018-09-11
Last modified:	2018-10-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QEV