JLA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	sing	1.53Å	1.51Å
C14	C15	sing	1.53Å	1.43Å
C13	C12	sing	1.53Å	1.53Å
C15	N10	sing	1.47Å	1.40Å
C06	C05	doub	1.37Å	1.35Å	Aromatic
C06	C07	sing	1.39Å	1.34Å	Aromatic
N10	C07	sing	1.39Å	1.45Å
N10	C11	sing	1.47Å	1.42Å
C12	C11	sing	1.53Å	1.50Å
C05	C04	sing	1.40Å	1.33Å	Aromatic
C07	C08	doub	1.39Å	1.34Å	Aromatic
O01	C02	doub	1.22Å	1.23Å
C04	C02	sing	1.47Å	1.55Å
C04	C09	doub	1.40Å	1.38Å	Aromatic
C08	C09	sing	1.37Å	1.37Å	Aromatic
C02	O03	sing	1.35Å	1.20Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
O03	H1	sing	0.97Å	0.95Å
C05	H051	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C11	H112	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C14	C15	111.0°	109.3°
C14	C13	C12	114.4°	109.2°
C14	C13	H132	108.2°	109.5°
C14	C13	H131	108.2°	109.6°
C13	C14	H141	109.1°	109.5°
C13	C14	H142	109.1°	109.5°
C14	C15	N10	109.4°	109.5°
C14	C15	H152	109.5°	109.4°
C14	C15	H151	109.5°	109.4°
C15	C14	H141	109.1°	109.5°
C15	C14	H142	109.1°	109.5°
C13	C12	C11	113.9°	109.3°
C12	C13	H132	108.2°	109.5°
C12	C13	H131	108.2°	109.5°
C13	C12	H122	108.4°	109.5°
C13	C12	H121	108.4°	109.5°
C15	N10	C07	117.9°	110.9°
C15	N10	C11	112.6°	111.2°
N10	C15	H152	109.5°	109.5°
N10	C15	H151	109.5°	109.5°
C05	C06	C07	122.1°	120.1°
C06	C05	C04	121.5°	120.0°
C06	C05	H051	119.3°	120.0°
C05	C06	H061	118.9°	120.0°
C06	C07	N10	120.0°	119.9°
C06	C07	C08	117.6°	120.2°
C07	C06	H061	119.0°	120.0°
C07	N10	C11	115.1°	111.0°
N10	C07	C08	122.2°	120.0°
N10	C11	C12	111.8°	109.5°
N10	C11	H112	108.9°	109.4°
N10	C11	H111	108.9°	109.5°
C12	C11	H112	108.9°	109.5°
C12	C11	H111	108.9°	109.5°
C11	C12	H122	108.4°	109.5°
C11	C12	H121	108.3°	109.5°
C05	C04	C02	121.9°	120.1°
C05	C04	C09	117.3°	119.8°
C04	C05	H051	119.2°	120.0°
C07	C08	C09	121.0°	120.1°
C07	C08	H081	119.5°	120.0°
O01	C02	C04	120.4°	120.0°
O01	C02	O03	125.6°	120.0°
C02	C04	C09	120.8°	120.1°
C04	C02	O03	114.0°	120.0°
C04	C09	C08	120.4°	119.9°
C04	C09	H091	119.8°	120.0°
C09	C08	H081	119.5°	119.9°
C08	C09	H091	119.8°	120.1°
C02	O03	H1	109.5°	116.9°
H132	C13	H131	109.5°	109.5°
H152	C15	H151	109.5°	109.5°
H112	C11	H111	109.5°	109.5°
H122	C12	H121	109.5°	109.5°
H141	C14	H142	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C14	C15	H141	120.2°	120.0°
C13	C14	C15	H142	120.2°	119.9°
C14	C13	C12	H132	120.7°	119.9°
C14	C13	C12	H131	120.7°	120.0°
C13	C14	C15	N10	48.7°	59.1°
C14	C13	C12	C11	41.5°	57.7°
C14	C13	H132	H131	117.8°	120.2°
C13	C14	C15	H152	71.3°	179.1°
C13	C14	C15	H151	168.6°	60.9°
C14	C13	C12	H122	162.1°	62.3°
C14	C13	C12	H121	79.2°	177.6°
C13	C14	H141	H142	119.3°	120.0°
C15	C14	C13	C12	6.9°	57.6°
C14	C15	N10	H152	120.0°	120.0°
C14	C15	N10	H151	120.0°	120.0°
C14	C15	N10	C07	146.4°	174.2°
C14	C15	N10	C11	75.8°	61.7°
C15	C14	C13	H132	113.8°	62.3°
C15	C14	C13	H131	127.6°	177.6°
C14	C15	H152	H151	120.0°	119.9°
C15	C14	H141	H142	119.3°	120.1°
C13	C12	C11	N10	19.3°	59.2°
C13	C12	C11	H122	120.7°	120.0°
C13	C12	C11	H121	120.7°	119.9°
C12	C13	H132	H131	117.7°	120.1°
C13	C12	C11	H112	139.6°	60.8°
C13	C12	C11	H111	101.1°	179.2°
C13	C12	H122	H121	118.0°	120.1°
C12	C13	C14	H141	113.4°	177.7°
C12	C13	C14	H142	127.1°	62.3°
C15	N10	C07	C06	6.9°	180.0°
C15	N10	C07	C11	136.7°	124.2°
C15	N10	C11	C12	36.9°	61.8°
C15	N10	C07	C08	177.5°	0.0°
N10	C15	H152	H151	120.0°	120.1°
C15	N10	C11	H112	83.4°	58.2°
C15	N10	C11	H111	157.3°	178.2°
N10	C15	C14	H141	168.9°	179.2°
N10	C15	C14	H142	71.6°	60.7°
C05	C06	C07	H061	180.0°	180.0°
C05	C06	C07	N10	178.0°	180.0°
C06	C05	C04	H051	180.0°	180.0°
C05	C06	C07	C08	2.2°	0.0°
C06	C05	C04	C02	179.0°	180.0°
C06	C05	C04	C09	0.1°	0.2°
C06	C07	N10	C08	175.6°	180.0°
C06	C07	N10	C11	143.7°	55.8°
C07	C06	C05	C04	1.3°	0.0°
C06	C07	C08	C09	1.8°	0.3°
C07	C06	C05	H051	178.8°	180.0°
C06	C07	C08	H081	178.2°	179.9°
C07	N10	C11	C12	176.0°	174.2°
N10	C07	C08	C09	177.5°	179.8°
C07	N10	C15	H152	93.6°	54.2°
C07	N10	C15	H151	26.4°	65.9°
N10	C07	C06	H061	2.0°	0.0°
N10	C07	C08	H081	2.5°	0.0°
C07	N10	C11	H112	55.6°	65.8°
C07	N10	C11	H111	63.7°	54.2°
N10	C11	C12	H112	120.3°	120.0°
N10	C11	C12	H111	120.3°	120.0°
C11	N10	C07	C08	40.8°	124.2°
C11	N10	C15	H152	44.2°	178.3°
C11	N10	C15	H151	164.2°	58.2°
N10	C11	H112	H111	118.9°	120.0°
N10	C11	C12	H122	139.9°	60.8°
N10	C11	C12	H121	101.4°	179.1°
C11	C12	C13	H132	79.2°	62.3°
C11	C12	C13	H131	162.2°	177.7°
C12	C11	H112	H111	119.0°	120.0°
C11	C12	H122	H121	118.0°	120.1°
C05	C04	C02	O01	10.0°	179.8°
C05	C04	C02	C09	179.1°	179.8°
C05	C04	C09	C08	0.5°	0.5°
C05	C04	C02	O03	170.7°	0.2°
C04	C05	C06	H061	178.7°	180.0°
C05	C04	C09	H091	179.5°	179.8°
C07	C08	C09	C04	0.5°	0.5°
C07	C08	C09	H081	180.0°	179.8°
C08	C07	C06	H061	177.8°	180.0°
C07	C08	C09	H091	179.5°	179.8°
O01	C02	C04	O03	179.4°	180.0°
O01	C02	C04	C09	171.0°	0.0°
O01	C02	O03	H1	0.0°	0.0°
C02	C04	C09	C08	178.6°	179.7°
C04	C02	O03	H1	179.4°	180.0°
C02	C04	C05	H051	1.1°	0.1°
C02	C04	C09	H091	1.4°	0.0°
C04	C09	C08	H091	180.0°	179.7°
C09	C04	C02	O03	8.4°	180.0°
C09	C04	C05	H051	179.8°	179.7°
C04	C09	C08	H081	179.5°	179.7°
H132	C13	C12	H122	41.4°	177.8°
H132	C13	C12	H121	160.1°	57.6°
H132	C13	C14	H141	125.9°	57.7°
H132	C13	C14	H142	6.4°	177.8°
H131	C13	C12	H122	77.1°	57.7°
H131	C13	C12	H121	41.5°	62.4°
H131	C13	C14	H141	7.3°	62.4°
H131	C13	C14	H142	112.2°	57.7°
H152	C15	C14	H141	48.9°	60.8°
H152	C15	C14	H142	168.4°	59.3°
H151	C15	C14	H141	71.1°	59.1°
H151	C15	C14	H142	48.4°	179.2°
H051	C05	C06	H061	1.3°	0.0°
H081	C08	C09	H091	0.6°	0.0°
H112	C11	C12	H122	99.7°	179.2°
H112	C11	C12	H121	18.9°	59.1°
H111	C11	C12	H122	19.6°	59.2°
H111	C11	C12	H121	138.3°	60.9°

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