W8J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C12	sing	1.55Å	1.52Å
C16	C15	sing	1.55Å	1.60Å
C11	C12	sing	1.53Å	1.59Å
C11	C10	sing	1.53Å	1.55Å
C12	C13	sing	1.54Å	1.35Å
C15	O14	sing	1.44Å	1.27Å
C10	C09	sing	1.53Å	1.53Å
C13	O14	sing	1.43Å	1.63Å
C09	N08	sing	1.47Å	1.47Å
C17	N08	sing	1.34Å	1.33Å	Aromatic
C17	N18	doub	1.31Å	1.34Å	Aromatic
N08	C07	sing	1.38Å	1.36Å	Aromatic
N18	C02	sing	1.34Å	1.32Å	Aromatic
C07	N06	doub	1.32Å	1.35Å	Aromatic
C07	C03	sing	1.41Å	1.32Å	Aromatic
N06	C05	sing	1.33Å	1.33Å	Aromatic
C02	C03	doub	1.41Å	1.40Å	Aromatic
C02	N01	sing	1.37Å	1.45Å
C03	N04	sing	1.34Å	1.34Å	Aromatic
C05	N04	doub	1.32Å	1.33Å	Aromatic
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C17	H171	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C09	H092	sing	1.09Å	1.10Å
C09	H091	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
N01	H012	sing	0.97Å	1.00Å
N01	H011	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C16	C15	106.6°	101.0°
C16	C12	C11	112.8°	110.9°
C16	C12	C13	101.5°	102.3°
C16	C12	H121	108.8°	111.0°
C12	C16	H161	110.2°	111.1°
C12	C16	H162	110.2°	111.1°
C16	C15	O14	104.2°	105.1°
C16	C15	H151	110.8°	110.3°
C16	C15	H152	110.8°	110.4°
C15	C16	H161	110.2°	111.1°
C15	C16	H162	110.2°	111.2°
C12	C11	C10	116.4°	109.5°
C11	C12	C13	114.5°	110.8°
C12	C11	H112	107.7°	109.5°
C12	C11	H111	107.7°	109.5°
C11	C12	H121	107.9°	110.7°
C11	C10	C09	110.3°	109.5°
C11	C10	H101	109.3°	109.5°
C11	C10	H102	109.2°	109.5°
C10	C11	H112	107.7°	109.5°
C10	C11	H111	107.7°	109.5°
C12	C13	O14	108.6°	107.5°
C12	C13	H132	109.7°	109.9°
C12	C13	H131	109.7°	109.9°
C13	C12	H121	111.2°	110.9°
C15	O14	C13	109.9°	110.0°
O14	C15	H151	110.8°	110.3°
O14	C15	H152	110.8°	110.4°
C10	C09	N08	111.6°	109.5°
C09	C10	H101	109.3°	109.5°
C09	C10	H102	109.2°	109.5°
C10	C09	H092	109.0°	109.5°
C10	C09	H091	108.9°	109.5°
O14	C13	H132	109.7°	109.9°
O14	C13	H131	109.7°	109.8°
C09	N08	C17	120.6°	120.1°
C09	N08	C07	118.7°	120.1°
N08	C09	H092	108.9°	109.4°
N08	C09	H091	108.9°	109.5°
N08	C17	N18	119.0°	122.4°
C17	N08	C07	120.7°	119.8°
N08	C17	H171	120.5°	118.9°
C17	N18	C02	121.9°	122.0°
N18	C17	H171	120.5°	118.8°
N08	C07	N06	130.3°	135.1°
N08	C07	C03	120.6°	118.4°
N18	C02	C03	118.8°	119.1°
N18	C02	N01	118.9°	120.5°
N06	C07	C03	109.2°	106.5°
C07	N06	C05	106.6°	108.7°
C07	C03	C02	119.1°	118.3°
C07	C03	N04	107.5°	106.4°
N06	C05	N04	109.0°	110.2°
N06	C05	H051	125.5°	124.9°
C03	C02	N01	122.4°	120.4°
C02	C03	N04	133.4°	135.2°
C02	N01	H012	109.5°	120.0°
C02	N01	H011	109.5°	120.0°
C03	N04	C05	107.7°	108.2°
N04	C05	H051	125.6°	125.0°
H101	C10	H102	109.5°	109.5°
H132	C13	H131	109.5°	109.8°
H151	C15	H152	109.5°	110.3°
H092	C09	H091	109.5°	109.5°
H112	C11	H111	109.5°	109.5°
H161	C16	H162	109.5°	111.0°
H012	N01	H011	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C16	C15	H161	119.5°	117.9°
C12	C16	C15	H162	119.6°	117.9°
C16	C12	C11	C13	115.5°	112.8°
C16	C12	C11	H121	120.2°	123.7°
C16	C12	C11	C10	151.4°	179.3°
C16	C12	C13	H121	115.6°	118.4°
C12	C16	C15	O14	25.2°	36.4°
C16	C12	C13	O14	24.7°	21.4°
C16	C12	C13	H132	144.6°	98.2°
C16	C12	C13	H131	95.2°	140.9°
C12	C16	C15	H151	144.3°	82.4°
C12	C16	C15	H152	94.0°	155.4°
C16	C12	C11	H112	30.4°	60.7°
C16	C12	C11	H111	87.6°	59.3°
C12	C16	H161	H162	121.3°	124.2°
C15	C16	C12	C11	92.4°	152.3°
C15	C16	C12	C13	30.6°	34.1°
C16	C15	O14	H151	119.2°	118.9°
C16	C15	O14	H152	119.1°	119.0°
C16	C15	O14	C13	9.7°	24.4°
C16	C15	H151	H152	122.5°	122.2°
C15	C16	C12	H121	147.9°	84.1°
C15	C16	H161	H162	121.3°	124.3°
C12	C11	C10	H112	121.0°	120.0°
C12	C11	C10	H111	121.0°	120.0°
C11	C12	C13	H121	122.6°	123.4°
C12	C11	C10	C09	111.2°	180.0°
C11	C12	C13	O14	97.1°	139.6°
C12	C11	C10	H101	128.6°	60.0°
C12	C11	C10	H102	8.9°	60.0°
C11	C12	C13	H132	22.8°	20.0°
C11	C12	C13	H131	143.0°	100.9°
C12	C11	H112	H111	116.8°	120.0°
C11	C12	C16	H161	148.0°	34.4°
C11	C12	C16	H162	27.1°	89.7°
C10	C11	C12	C13	35.9°	66.4°
C11	C10	C09	H101	120.1°	120.0°
C11	C10	C09	H102	120.1°	120.0°
C11	C10	C09	N08	170.6°	180.0°
C11	C10	H101	H102	119.6°	120.0°
C11	C10	C09	H092	50.3°	60.0°
C11	C10	C09	H091	69.1°	60.0°
C10	C11	H112	H111	116.9°	120.0°
C10	C11	C12	H121	88.4°	57.0°
C12	C13	O14	C15	10.1°	1.7°
C12	C13	O14	H132	119.8°	119.5°
C12	C13	O14	H131	119.9°	119.5°
C12	C13	H132	H131	120.4°	121.0°
C13	C12	C11	H112	85.1°	173.6°
C13	C12	C11	H111	156.9°	53.6°
C13	C12	C16	H161	89.0°	83.8°
C13	C12	C16	H162	150.1°	152.1°
C15	O14	C13	H132	129.9°	121.2°
C15	O14	C13	H131	109.8°	117.9°
O14	C15	H151	H152	122.5°	122.1°
O14	C15	C16	H161	94.3°	81.5°
O14	C15	C16	H162	144.8°	154.3°
C10	C09	N08	H092	120.3°	120.0°
C10	C09	N08	H091	120.3°	120.0°
C10	C09	N08	C17	64.9°	90.0°
C10	C09	N08	C07	114.8°	90.0°
C09	C10	H101	H102	119.6°	120.0°
C10	C09	H092	H091	119.0°	120.0°
C09	C10	C11	H112	9.8°	60.0°
C09	C10	C11	H111	127.8°	60.0°
O14	C13	H132	H131	120.4°	120.9°
C13	O14	C15	H151	128.8°	94.5°
C13	O14	C15	H152	109.5°	143.4°
O14	C13	C12	H121	140.3°	97.0°
C09	N08	C17	C07	179.7°	179.9°
C09	N08	C17	N18	179.2°	180.0°
C09	N08	C07	N06	0.7°	0.1°
C09	N08	C07	C03	179.3°	180.0°
N08	C09	C10	H101	69.3°	60.0°
N08	C09	C10	H102	50.5°	60.0°
C09	N08	C17	H171	0.8°	0.2°
N08	C09	H092	H091	119.0°	120.0°
N08	C17	N18	H171	180.0°	179.7°
N08	C17	N18	C02	0.9°	0.0°
C17	N08	C07	N06	179.6°	180.0°
C17	N08	C07	C03	1.1°	0.1°
C17	N08	C09	H092	174.7°	30.0°
C17	N08	C09	H091	55.4°	150.0°
N18	C17	N08	C07	1.1°	0.1°
C17	N18	C02	C03	0.7°	0.0°
C17	N18	C02	N01	179.9°	180.0°
N08	C07	N06	C03	178.7°	179.9°
N08	C07	N06	C05	179.5°	179.9°
N08	C07	C03	C02	0.8°	0.0°
N08	C07	C03	N04	179.2°	179.9°
C07	N08	C17	H171	178.9°	179.7°
C07	N08	C09	H092	5.6°	150.0°
C07	N08	C09	H091	124.9°	30.0°
N18	C02	C03	C07	0.6°	0.0°
N18	C02	C03	N01	179.5°	180.0°
N18	C02	C03	N04	179.4°	180.0°
C02	N18	C17	H171	179.0°	179.7°
N18	C02	N01	H012	0.0°	180.0°
N18	C02	N01	H011	120.0°	0.0°
N06	C07	C03	C02	179.6°	180.0°
N06	C07	C03	N04	0.4°	0.0°
C07	N06	C05	N04	1.0°	0.0°
C07	N06	C05	H051	179.0°	179.9°
C03	C07	N06	C05	0.8°	0.0°
C07	C03	C02	N04	179.9°	180.0°
C07	C03	C02	N01	180.0°	180.0°
C07	C03	N04	C05	0.3°	0.0°
N06	C05	N04	C03	0.8°	0.1°
N06	C05	N04	H051	180.0°	179.9°
C02	C03	N04	C05	179.8°	179.9°
C03	C02	N01	H012	179.4°	0.0°
C03	C02	N01	H011	60.6°	180.0°
N01	C02	C03	N04	0.1°	0.0°
C02	N01	H012	H011	120.0°	180.0°
C03	N04	C05	H051	179.2°	179.9°
H101	C10	C09	H092	170.4°	60.0°
H101	C10	C09	H091	51.1°	180.0°
H101	C10	C11	H112	110.4°	180.0°
H101	C10	C11	H111	7.6°	60.0°
H102	C10	C09	H092	69.8°	180.0°
H102	C10	C09	H091	170.8°	60.0°
H102	C10	C11	H112	129.9°	60.0°
H102	C10	C11	H111	112.1°	180.0°
H132	C13	C12	H121	99.8°	143.4°
H131	C13	C12	H121	20.4°	22.5°
H151	C15	C16	H161	24.8°	159.6°
H151	C15	C16	H162	96.1°	35.5°
H152	C15	C16	H161	146.5°	37.5°
H152	C15	C16	H162	25.6°	86.7°
H112	C11	C12	H121	150.6°	63.0°
H111	C11	C12	H121	32.6°	177.0°
H121	C12	C16	H161	28.4°	157.9°
H121	C12	C16	H162	92.5°	33.8°

Release date:	2020-12-16
Definition date:	2020-09-29
Last modified:	2020-12-11
Release status:	REL
Processing site:	RCSB
Derived from:	5RVG