QJC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	O01	doub	1.21Å	1.28Å
C05	C04	sing	1.55Å	1.59Å
N06	C05	sing	1.47Å	1.35Å
N10	C09	doub	1.30Å	1.48Å
N11	N10	sing	1.28Å	1.47Å
C09	C08	sing	1.41Å	1.49Å
C12	C08	doub	1.39Å	1.46Å
C13	C12	sing	1.42Å	1.50Å
O14	C13	doub	1.22Å	1.20Å
C08	C07	sing	1.48Å	1.56Å
O15	C07	doub	1.21Å	1.19Å
C07	N06	sing	1.35Å	1.49Å
C16	N06	sing	1.47Å	1.62Å
C04	C03	sing	1.55Å	1.58Å
C17	C03	sing	1.53Å	1.56Å
F18	C17	sing	1.40Å	1.37Å
C03	C02	sing	1.51Å	1.56Å
O19	C02	sing	1.34Å	1.27Å
C03	C16	sing	1.54Å	1.37Å
N11	C13	sing	1.35Å	1.48Å
C16	H162	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C17	H171	sing	1.09Å	1.10Å
C12	H121	sing	1.08Å	1.08Å
C04	H041	sing	1.09Å	1.10Å
C04	H042	sing	1.09Å	1.10Å
C05	H052	sing	1.09Å	1.10Å
C05	H051	sing	1.09Å	1.10Å
C09	H091	sing	1.08Å	1.08Å
N11	H111	sing	0.97Å	1.00Å
O19	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	120.4°	120.0°
O01	C02	O19	119.8°	119.9°
C04	C05	N06	105.4°	104.8°
C05	C04	C03	102.3°	101.6°
C05	C04	H041	111.2°	111.0°
C05	C04	H042	111.3°	111.1°
C04	C05	H052	110.5°	110.3°
C04	C05	H051	110.5°	110.4°
C05	N06	C07	126.8°	125.6°
C05	N06	C16	109.5°	108.7°
N06	C05	H052	110.5°	110.4°
N06	C05	H051	110.5°	110.5°
C09	N10	N11	119.9°	122.7°
N10	C09	C08	120.0°	120.4°
N10	C09	H091	120.0°	119.8°
N10	N11	C13	120.2°	122.1°
N10	N11	H111	119.9°	118.9°
C09	C08	C12	120.2°	118.0°
C09	C08	C07	121.3°	121.0°
C08	C09	H091	120.0°	119.8°
C08	C12	C13	119.7°	117.5°
C12	C08	C07	118.5°	121.0°
C08	C12	H121	120.1°	121.3°
C12	C13	O14	120.3°	120.3°
C12	C13	N11	120.0°	119.3°
C13	C12	H121	120.1°	121.2°
O14	C13	N11	119.7°	120.3°
C08	C07	O15	121.0°	120.0°
C08	C07	N06	118.7°	120.0°
O15	C07	N06	120.3°	120.0°
C07	N06	C16	123.7°	125.6°
N06	C16	C03	103.4°	107.3°
N06	C16	H162	111.0°	109.9°
N06	C16	H161	111.0°	109.9°
C04	C03	C17	113.6°	110.7°
C04	C03	C02	107.9°	110.9°
C04	C03	C16	103.1°	102.9°
C03	C04	H041	111.2°	111.0°
C03	C04	H042	111.2°	111.0°
C03	C17	F18	111.2°	109.4°
C17	C03	C02	111.6°	110.6°
C17	C03	C16	108.8°	110.7°
C03	C17	H172	109.0°	109.5°
C03	C17	H171	109.1°	109.5°
F18	C17	H172	109.0°	109.4°
F18	C17	H171	109.0°	109.5°
C03	C02	O19	119.9°	120.0°
C02	C03	C16	111.5°	110.7°
C02	O19	H1	109.5°	117.0°
C03	C16	H162	110.9°	109.9°
C03	C16	H161	111.0°	110.0°
C13	N11	H111	119.9°	119.0°
H162	C16	H161	109.5°	109.9°
H172	C17	H171	109.5°	109.5°
H041	C04	H042	109.5°	110.9°
H052	C05	H051	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	C04	127.6°	2.5°
O01	C02	C03	C17	2.1°	120.8°
O01	C02	C03	O19	179.3°	179.9°
O01	C02	C03	C16	119.8°	116.1°
O01	C02	O19	H1	0.0°	0.1°
C04	C05	N06	H052	119.4°	118.8°
C04	C05	N06	H051	119.4°	118.9°
C04	C05	N06	C07	178.2°	155.8°
C04	C05	N06	C16	1.4°	24.2°
C05	C04	C03	H041	118.8°	118.0°
C05	C04	C03	H042	118.8°	118.2°
C05	C04	C03	C17	156.3°	153.8°
C05	C04	C03	C02	79.4°	82.9°
C05	C04	C03	C16	38.7°	35.5°
C05	C04	H041	H042	123.4°	124.0°
C04	C05	H052	H051	121.9°	122.2°
C05	N06	C07	C08	179.9°	175.0°
C05	N06	C07	O15	0.1°	5.0°
C05	N06	C07	C16	179.6°	180.0°
N06	C05	C04	C03	21.0°	37.0°
C05	N06	C16	C03	27.1°	1.1°
C05	N06	C16	H162	146.1°	120.5°
C05	N06	C16	H161	91.9°	118.5°
N06	C05	C04	H041	97.8°	155.1°
N06	C05	C04	H042	139.8°	81.1°
N06	C05	H052	H051	121.9°	122.4°
N10	C09	C08	H091	180.0°	180.0°
N10	C09	C08	C12	0.3°	0.0°
N10	C09	C08	C07	179.7°	180.0°
C09	N10	N11	C13	0.4°	0.0°
C09	N10	N11	H111	179.6°	180.0°
N11	N10	C09	C08	0.2°	0.0°
N10	N11	C13	C12	0.8°	0.0°
N10	N11	C13	O14	179.5°	179.7°
N10	N11	C13	H111	180.0°	180.0°
N11	N10	C09	H091	179.8°	180.0°
C09	C08	C12	C07	180.0°	180.0°
C09	C08	C12	C13	0.7°	0.0°
C09	C08	C07	O15	62.4°	79.1°
C09	C08	C07	N06	117.8°	100.9°
C09	C08	C12	H121	179.3°	180.0°
C08	C12	C13	H121	180.0°	180.0°
C08	C12	C13	O14	179.6°	179.7°
C12	C08	C07	O15	117.6°	100.9°
C12	C08	C07	N06	62.2°	79.1°
C08	C12	C13	N11	0.9°	0.0°
C12	C08	C09	H091	179.7°	180.0°
C12	C13	O14	N11	178.7°	179.7°
C13	C12	C08	C07	179.3°	180.0°
C12	C13	N11	H111	179.2°	180.0°
O14	C13	C12	H121	0.4°	0.2°
O14	C13	N11	H111	0.5°	0.3°
C08	C07	O15	N06	179.9°	180.0°
C08	C07	N06	C16	0.5°	5.0°
C07	C08	C12	H121	0.7°	0.0°
C07	C08	C09	H091	0.3°	0.0°
O15	C07	N06	C16	179.6°	175.0°
C07	N06	C16	C03	152.5°	178.9°
C07	N06	C16	H162	33.6°	59.5°
C07	N06	C16	H161	88.4°	61.5°
C07	N06	C05	H052	58.9°	85.4°
C07	N06	C05	H051	62.4°	37.0°
N06	C16	C03	C04	38.6°	22.2°
N06	C16	C03	C17	159.6°	140.5°
N06	C16	C03	C02	76.9°	96.4°
N06	C16	C03	H162	119.0°	119.4°
N06	C16	C03	H161	119.0°	119.5°
N06	C16	H162	H161	122.9°	121.1°
C16	N06	C05	H052	120.7°	94.6°
C16	N06	C05	H051	118.0°	143.0°
C04	C03	C17	C02	122.3°	123.4°
C04	C03	C17	C16	114.3°	113.5°
C04	C03	C17	F18	46.2°	62.7°
C04	C03	C02	C16	112.5°	113.6°
C04	C03	C02	O19	51.7°	177.4°
C04	C03	C16	H162	157.6°	97.2°
C04	C03	C16	H161	80.4°	141.7°
C04	C03	C17	H172	74.1°	177.4°
C04	C03	C17	H171	166.4°	57.3°
C03	C04	H041	H042	123.3°	123.9°
C03	C04	C05	H052	98.3°	81.8°
C03	C04	C05	H051	140.4°	156.0°
C03	C17	F18	H172	120.2°	120.0°
C03	C17	F18	H171	120.2°	120.0°
C17	C03	C02	C16	122.0°	123.1°
C17	C03	C02	O19	177.2°	59.3°
C17	C03	C16	H162	81.4°	21.2°
C17	C03	C16	H161	40.6°	99.9°
C03	C17	H172	H171	119.2°	120.0°
C17	C03	C04	H041	37.5°	88.1°
C17	C03	C04	H042	84.9°	35.7°
F18	C17	C03	C02	168.5°	60.7°
F18	C17	C03	C16	68.1°	176.2°
F18	C17	H172	H171	119.2°	120.0°
C02	C03	C16	H162	42.1°	144.2°
C02	C03	C16	H161	164.1°	23.1°
C02	C03	C17	H172	48.2°	59.3°
C02	C03	C17	H171	71.3°	179.3°
C02	C03	C04	H041	161.8°	35.1°
C02	C03	C04	H042	39.5°	158.9°
C03	C02	O19	H1	179.3°	180.0°
O19	C02	C03	C16	60.9°	63.8°
C03	C16	H162	H161	122.8°	121.1°
C16	C03	C17	H172	171.7°	63.9°
C16	C03	C17	H171	52.1°	56.2°
C16	C03	C04	H041	80.2°	153.6°
C16	C03	C04	H042	157.5°	82.6°
N11	C13	C12	H121	179.1°	180.0°
H041	C04	C05	H052	142.8°	36.3°
H041	C04	C05	H051	21.6°	86.0°
H042	C04	C05	H052	20.5°	160.1°
H042	C04	C05	H051	100.8°	37.9°

Release date:	2022-07-06
Definition date:	2022-06-14
Last modified:	2022-07-01
Release status:	REL
Processing site:	RCSB
Derived from:	5SPZ