JHP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL15	C04	sing	1.74Å	1.58Å
C03	C04	doub	1.35Å	1.32Å	Aromatic
C03	N02	sing	1.36Å	1.36Å	Aromatic
C04	C05	sing	1.42Å	1.41Å	Aromatic
N02	C01	sing	1.47Å	1.40Å
N02	N06	sing	1.28Å	1.31Å	Aromatic
C05	N06	doub	1.32Å	1.30Å	Aromatic
C05	C07	sing	1.48Å	1.59Å
N09	C07	sing	1.35Å	1.25Å
N09	C10	sing	1.47Å	1.48Å
C11	C10	sing	1.54Å	1.51Å
C11	C12	sing	1.54Å	1.53Å
C14	C10	sing	1.54Å	1.50Å
C14	C13	sing	1.55Å	1.62Å
C07	O08	doub	1.22Å	1.20Å
C12	C13	sing	1.55Å	1.49Å
C10	H101	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C03	H031	sing	1.08Å	1.08Å
N09	H091	sing	0.97Å	1.00Å
C11	H112	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	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)
CL15	C04	C03	118.6°	127.3°
CL15	C04	C05	131.3°	127.2°
C04	C03	N02	103.8°	107.1°
C03	C04	C05	110.0°	105.5°
C04	C03	H031	128.1°	126.4°
C03	N02	C01	122.2°	124.9°
C03	N02	N06	111.6°	110.2°
N02	C03	H031	128.1°	126.5°
C04	C05	N06	105.1°	107.1°
C04	C05	C07	131.4°	126.5°
C01	N02	N06	126.3°	124.9°
N02	C01	H013	109.5°	109.5°
N02	C01	H011	109.4°	109.4°
N02	C01	H012	109.4°	109.4°
N02	N06	C05	109.5°	110.1°
N06	C05	C07	123.5°	126.4°
C05	C07	N09	126.1°	120.0°
C05	C07	O08	119.2°	120.0°
C07	N09	C10	126.7°	120.0°
N09	C07	O08	114.7°	120.0°
C07	N09	H091	116.6°	120.0°
N09	C10	C11	112.0°	110.0°
N09	C10	C14	118.5°	110.0°
N09	C10	H101	108.4°	110.0°
C10	N09	H091	116.7°	120.0°
C10	C11	C12	104.3°	106.6°
C11	C10	C14	101.2°	106.6°
C11	C10	H101	108.1°	110.0°
C10	C11	H112	110.7°	110.0°
C10	C11	H111	110.7°	110.0°
C11	C12	C13	102.5°	104.2°
C12	C11	H112	110.7°	110.0°
C12	C11	H111	110.7°	110.0°
C11	C12	H121	111.2°	110.5°
C11	C12	H122	111.2°	110.5°
C10	C14	C13	102.1°	104.2°
C14	C10	H101	108.1°	110.0°
C10	C14	H141	111.3°	110.5°
C10	C14	H142	111.3°	110.5°
C14	C13	C12	106.8°	102.7°
C14	C13	H132	110.1°	110.7°
C14	C13	H131	110.1°	110.9°
C13	C14	H141	111.3°	110.5°
C13	C14	H142	111.3°	110.5°
C12	C13	H132	110.1°	110.8°
C12	C13	H131	110.1°	110.7°
C13	C12	H121	111.2°	110.5°
C13	C12	H122	111.2°	110.4°
H132	C13	H131	109.5°	110.7°
H013	C01	H011	109.5°	109.5°
H013	C01	H012	109.5°	109.5°
H011	C01	H012	109.5°	109.5°
H112	C11	H111	109.5°	110.0°
H121	C12	H122	109.4°	110.5°
H141	C14	H142	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL15	C04	C03	C05	179.8°	180.0°
CL15	C04	C03	N02	179.6°	179.9°
CL15	C04	C05	N06	179.5°	179.8°
CL15	C04	C05	C07	0.9°	0.1°
CL15	C04	C03	H031	0.4°	0.0°
C04	C03	N02	H031	180.0°	179.9°
C04	C03	N02	C01	179.4°	179.9°
C04	C03	N02	N06	0.3°	0.3°
C03	C04	C05	N06	0.7°	0.2°
C03	C04	C05	C07	178.9°	180.0°
N02	C03	C04	C05	0.6°	0.0°
C03	N02	C01	N06	179.0°	179.6°
C03	N02	N06	C05	0.1°	0.5°
C03	N02	C01	H013	179.0°	89.6°
C03	N02	C01	H011	61.0°	30.4°
C03	N02	C01	H012	59.0°	150.3°
C04	C05	N06	N02	0.5°	0.4°
C04	C05	N06	C07	179.6°	179.7°
C04	C05	C07	N09	26.3°	180.0°
C04	C05	C07	O08	152.1°	0.1°
C05	C04	C03	H031	179.4°	179.9°
C01	N02	N06	C05	179.0°	179.9°
N02	C01	H013	H011	120.0°	120.0°
N02	C01	H013	H012	120.0°	120.0°
N02	C01	H011	H012	120.0°	119.9°
C01	N02	C03	H031	0.6°	0.2°
N02	N06	C05	C07	179.2°	179.8°
N06	N02	C01	H013	0.0°	90.0°
N06	N02	C01	H011	120.0°	150.0°
N06	N02	C01	H012	120.0°	30.1°
N06	N02	C03	H031	179.7°	179.8°
N06	C05	C07	N09	153.2°	0.3°
N06	C05	C07	O08	28.3°	179.8°
C05	C07	N09	O08	178.5°	179.9°
C05	C07	N09	C10	178.6°	180.0°
C05	C07	N09	H091	1.4°	0.1°
C07	N09	C10	H091	180.0°	179.9°
C07	N09	C10	C11	149.4°	155.7°
C07	N09	C10	C14	93.5°	87.1°
C07	N09	C10	H101	30.2°	34.3°
N09	C10	C11	C14	127.2°	119.3°
N09	C10	C11	H101	119.4°	121.4°
N09	C10	C11	C12	176.6°	119.3°
N09	C10	C14	H101	123.8°	121.4°
N09	C10	C14	C13	160.8°	142.9°
C10	N09	C07	O08	2.9°	0.1°
N09	C10	C11	H112	64.2°	121.4°
N09	C10	C11	H111	57.4°	0.0°
N09	C10	C14	H141	42.0°	24.3°
N09	C10	C14	H142	80.4°	98.4°
C10	C11	C12	H112	119.2°	119.3°
C10	C11	C12	H111	119.2°	119.3°
C11	C10	C14	H101	113.4°	119.3°
C11	C10	C14	C13	38.0°	23.6°
C10	C11	C12	C13	39.2°	23.6°
C11	C10	N09	H091	30.7°	24.2°
C10	C11	H112	H111	122.4°	121.4°
C10	C11	C12	H121	79.7°	95.1°
C10	C11	C12	H122	158.1°	142.2°
C11	C10	C14	H141	80.7°	95.0°
C11	C10	C14	H142	156.8°	142.4°
C12	C11	C10	C14	49.4°	0.0°
C11	C12	C13	C14	14.2°	38.0°
C11	C12	C13	H121	118.9°	118.7°
C11	C12	C13	H122	118.9°	118.6°
C12	C11	C10	H101	64.0°	119.3°
C11	C12	C13	H132	105.3°	80.3°
C11	C12	C13	H131	133.8°	156.4°
C12	C11	H112	H111	122.4°	121.4°
C11	C12	H121	H122	123.2°	122.6°
C10	C14	C13	H141	118.8°	118.7°
C10	C14	C13	H142	118.8°	118.7°
C10	C14	C13	C12	14.9°	38.0°
C10	C14	C13	H132	134.4°	80.3°
C10	C14	C13	H131	104.7°	156.3°
C14	C10	N09	H091	86.5°	93.0°
C14	C10	C11	H112	168.6°	119.3°
C14	C10	C11	H111	69.7°	119.3°
C10	C14	H141	H142	123.5°	122.6°
C14	C13	C12	H132	119.6°	118.3°
C14	C13	C12	H131	119.6°	118.4°
C13	C14	C10	H101	75.4°	95.7°
C14	C13	H132	H131	121.2°	123.4°
C14	C13	C12	H121	104.7°	80.8°
C14	C13	C12	H122	133.1°	156.6°
C13	C14	H141	H142	123.5°	122.6°
O08	C07	N09	H091	177.1°	180.0°
C12	C13	H132	H131	121.2°	123.3°
C13	C12	C11	H112	158.3°	95.7°
C13	C12	C11	H111	80.0°	142.9°
C13	C12	H121	H122	123.2°	122.5°
C12	C13	C14	H141	103.9°	80.7°
C12	C13	C14	H142	133.7°	156.7°
H101	C10	N09	H091	149.8°	145.6°
H101	C10	C11	H112	55.1°	0.0°
H101	C10	C11	H111	176.8°	121.4°
H101	C10	C14	H141	165.8°	145.7°
H101	C10	C14	H142	43.4°	23.0°
H132	C13	C12	H121	135.8°	160.9°
H132	C13	C12	H122	13.5°	38.3°
H132	C13	C14	H141	15.7°	161.0°
H132	C13	C14	H142	106.8°	38.4°
H131	C13	C12	H121	14.9°	37.7°
H131	C13	C12	H122	107.3°	85.0°
H131	C13	C14	H141	136.5°	37.6°
H131	C13	C14	H142	14.1°	85.0°
H013	C01	H011	H012	120.0°	120.1°
H112	C11	C12	H121	39.4°	145.6°
H112	C11	C12	H122	82.8°	22.9°
H111	C11	C12	H121	161.1°	24.2°
H111	C11	C12	H122	38.9°	98.5°

Release date:	2018-10-10
Definition date:	2018-09-10
Last modified:	2018-10-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QE9