W5P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C03	C02	sing	1.53Å	1.44Å
C03	C04	sing	1.53Å	1.43Å
C02	F01	sing	1.40Å	1.28Å
C02	C07	sing	1.53Å	1.53Å
C07	N06	sing	1.47Å	1.45Å
C04	C05	sing	1.53Å	1.50Å
C05	N06	sing	1.47Å	1.51Å
N06	C08	sing	1.38Å	1.41Å
C08	C16	doub	1.40Å	1.39Å	Aromatic
C08	N09	sing	1.33Å	1.32Å	Aromatic
C15	C16	sing	1.46Å	1.39Å	Aromatic
C15	C14	doub	1.34Å	1.32Å	Aromatic
C16	C12	sing	1.41Å	1.34Å	Aromatic
N09	C10	doub	1.32Å	1.26Å	Aromatic
C14	N13	sing	1.37Å	1.33Å	Aromatic
C12	N13	sing	1.37Å	1.31Å	Aromatic
C12	N11	doub	1.33Å	1.31Å	Aromatic
C10	N11	sing	1.32Å	1.25Å	Aromatic
C10	H101	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C02	H021	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C04	H042	sing	1.09Å	1.10Å
C04	H041	sing	1.09Å	1.10Å
C05	H051	sing	1.09Å	1.10Å
C05	H052	sing	1.09Å	1.10Å
C07	H072	sing	1.09Å	1.10Å
C07	H071	sing	1.09Å	1.10Å
C14	H141	sing	1.08Å	1.08Å
N13	H131	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C03	C04	115.3°	109.2°
C03	C02	F01	109.7°	109.5°
C03	C02	C07	124.6°	109.2°
C03	C02	H021	108.2°	109.5°
C02	C03	H032	108.0°	109.5°
C02	C03	H031	108.0°	109.5°
C03	C04	C05	108.4°	109.3°
C04	C03	H032	108.0°	109.6°
C04	C03	H031	108.0°	109.6°
C03	C04	H042	109.7°	109.6°
C03	C04	H041	109.7°	109.5°
F01	C02	C07	95.7°	109.5°
F01	C02	H021	110.6°	109.5°
C02	C07	N06	106.8°	109.6°
C07	C02	H021	107.2°	109.6°
C02	C07	H072	110.1°	109.5°
C02	C07	H071	110.1°	109.5°
C07	N06	C05	103.7°	111.2°
C07	N06	C08	130.4°	111.0°
N06	C07	H072	110.1°	109.4°
N06	C07	H071	110.1°	109.4°
C04	C05	N06	114.6°	109.5°
C05	C04	H042	109.7°	109.5°
C05	C04	H041	109.8°	109.4°
C04	C05	H051	108.2°	109.5°
C04	C05	H052	108.2°	109.5°
C05	N06	C08	125.6°	111.0°
N06	C05	H051	108.2°	109.5°
N06	C05	H052	108.2°	109.4°
N06	C08	C16	127.2°	120.8°
N06	C08	N09	115.3°	120.9°
C16	C08	N09	117.5°	118.3°
C08	C16	C15	136.5°	135.1°
C08	C16	C12	115.9°	118.7°
C08	N09	C10	121.7°	121.0°
C16	C15	C14	106.3°	106.8°
C15	C16	C12	107.5°	106.2°
C16	C15	H151	126.8°	126.6°
C15	C14	N13	108.5°	109.8°
C14	C15	H151	126.8°	126.6°
C15	C14	H141	125.8°	125.1°
C16	C12	N13	107.4°	107.2°
C16	C12	N11	121.8°	118.5°
N09	C10	N11	123.4°	122.7°
N09	C10	H101	118.3°	118.6°
C14	N13	C12	110.2°	110.0°
N13	C14	H141	125.7°	125.1°
C14	N13	H131	124.9°	125.0°
N13	C12	N11	130.5°	134.2°
C12	N13	H131	124.9°	125.0°
C12	N11	C10	119.0°	120.7°
N11	C10	H101	118.3°	118.6°
H032	C03	H031	109.4°	109.6°
H042	C04	H041	109.5°	109.5°
H051	C05	H052	109.5°	109.5°
H072	C07	H071	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C03	C04	H032	120.9°	119.9°
C02	C03	C04	H031	120.9°	119.9°
C03	C02	F01	C07	129.9°	119.7°
C03	C02	F01	H021	119.3°	120.1°
C03	C02	C07	H021	127.6°	120.0°
C03	C02	C07	N06	39.8°	59.2°
C02	C03	C04	C05	32.4°	57.7°
C02	C03	H032	H031	117.4°	120.1°
C02	C03	C04	H042	87.4°	62.3°
C02	C03	C04	H041	152.2°	177.6°
C03	C02	C07	H072	79.8°	60.9°
C03	C02	C07	H071	159.3°	179.1°
C04	C03	C02	F01	85.3°	62.2°
C04	C03	C02	C07	26.8°	57.7°
C03	C04	C05	H042	119.8°	120.0°
C03	C04	C05	H041	119.8°	119.9°
C03	C04	C05	N06	59.1°	59.2°
C04	C03	C02	H021	154.0°	177.7°
C04	C03	H032	H031	117.3°	120.3°
C03	C04	H042	H041	120.5°	120.1°
C03	C04	C05	H051	179.8°	179.2°
C03	C04	C05	H052	61.7°	60.8°
F01	C02	C07	H021	113.7°	120.1°
F01	C02	C07	N06	78.9°	60.7°
F01	C02	C03	H032	35.6°	57.7°
F01	C02	C03	H031	153.9°	177.8°
F01	C02	C07	H072	161.5°	179.2°
F01	C02	C07	H071	40.6°	59.2°
C02	C07	N06	H072	119.6°	120.1°
C02	C07	N06	H071	119.6°	120.0°
C02	C07	N06	C05	55.7°	61.7°
C02	C07	N06	C08	130.0°	174.2°
C07	C02	C03	H032	147.6°	177.6°
C07	C02	C03	H031	94.1°	62.3°
C02	C07	H072	H071	121.2°	120.0°
C07	N06	C05	C04	73.5°	61.7°
C07	N06	C05	C08	174.7°	124.1°
C07	N06	C08	C16	26.1°	55.8°
C07	N06	C08	N09	154.5°	124.4°
N06	C07	C02	H021	167.4°	179.2°
C07	N06	C05	H051	165.7°	178.2°
C07	N06	C05	H052	47.2°	58.3°
N06	C07	H072	H071	121.3°	119.9°
C04	C05	N06	H051	120.8°	120.0°
C04	C05	N06	H052	120.7°	120.0°
C04	C05	N06	C08	111.8°	174.2°
C05	C04	C03	H032	153.2°	177.6°
C05	C04	C03	H031	88.5°	62.2°
C05	C04	H042	H041	120.5°	120.0°
C04	C05	H051	H052	117.6°	120.0°
C05	N06	C08	C16	160.7°	180.0°
C05	N06	C08	N09	18.7°	0.2°
N06	C05	C04	H042	60.7°	60.8°
N06	C05	C04	H041	178.9°	179.1°
N06	C05	H051	H052	117.7°	120.0°
C05	N06	C07	H072	63.9°	58.3°
C05	N06	C07	H071	175.2°	178.2°
N06	C08	C16	N09	179.4°	179.8°
N06	C08	C16	C15	3.9°	0.2°
N06	C08	C16	C12	174.0°	180.0°
N06	C08	N09	C10	173.5°	179.8°
C08	N06	C05	H051	9.0°	54.1°
C08	N06	C05	H052	127.4°	65.8°
C08	N06	C07	H072	110.4°	65.7°
C08	N06	C07	H071	10.5°	54.2°
C08	C16	C15	C12	178.0°	179.8°
C08	C16	C15	C14	179.7°	179.3°
C16	C08	N09	C10	5.9°	0.0°
C08	C16	C12	N13	179.2°	179.8°
C08	C16	C12	N11	5.4°	0.5°
C08	C16	C15	H151	0.3°	0.0°
N09	C08	C16	C15	176.7°	180.0°
N09	C08	C16	C12	5.3°	0.2°
C08	N09	C10	N11	6.4°	0.0°
C08	N09	C10	H101	173.6°	179.7°
C16	C15	C14	H151	180.0°	179.4°
C16	C15	C14	N13	3.0°	0.7°
C15	C16	C12	N13	0.7°	0.0°
C15	C16	C12	N11	176.1°	179.7°
C16	C15	C14	H141	176.9°	180.0°
C14	C15	C16	C12	2.3°	0.4°
C15	C14	N13	H141	180.0°	179.3°
C15	C14	N13	C12	2.8°	0.8°
C15	C14	N13	H131	177.3°	179.2°
C16	C12	N13	C14	1.2°	0.5°
C16	C12	N13	N11	174.9°	179.6°
C16	C12	N11	C10	5.6°	0.5°
C12	C16	C15	H151	177.7°	179.8°
C16	C12	N13	H131	178.8°	179.5°
N09	C10	N11	C12	6.0°	0.2°
N09	C10	N11	H101	180.0°	179.8°
C14	N13	C12	H131	180.0°	180.0°
C14	N13	C12	N11	173.7°	179.9°
N13	C14	C15	H151	177.0°	179.9°
N13	C12	N11	C10	179.9°	180.0°
C12	N13	C14	H141	177.2°	180.0°
C12	N11	C10	H101	174.0°	180.0°
N11	C12	N13	H131	6.3°	0.1°
H151	C15	C14	H141	3.0°	0.6°
H021	C02	C03	H032	85.1°	62.4°
H021	C02	C03	H031	33.1°	57.7°
H021	C02	C07	H072	47.8°	59.1°
H021	C02	C07	H071	73.0°	60.9°
H032	C03	C04	H042	33.4°	57.6°
H032	C03	C04	H041	86.9°	62.6°
H031	C03	C04	H042	151.7°	177.8°
H031	C03	C04	H041	31.3°	57.6°
H042	C04	C05	H051	60.0°	59.2°
H042	C04	C05	H052	178.5°	179.2°
H041	C04	C05	H051	60.4°	60.9°
H041	C04	C05	H052	58.1°	59.1°
H141	C14	N13	H131	2.8°	0.0°

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