O77

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N09	C08	sing	1.35Å	1.32Å	Aromatic
N09	C05	sing	1.37Å	1.33Å	Aromatic
C08	N07	doub	1.30Å	1.33Å	Aromatic
O18	C02	doub	1.21Å	1.26Å
C04	C05	sing	1.51Å	1.51Å
C04	C03	sing	1.53Å	1.53Å
C05	C06	doub	1.35Å	1.38Å	Aromatic
C02	O01	sing	1.34Å	1.24Å
C02	C03	sing	1.51Å	1.52Å
N07	C06	sing	1.34Å	1.32Å	Aromatic
C03	N10	sing	1.47Å	1.44Å
N10	C11	sing	1.47Å	1.46Å
C11	C12	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.53Å
N14	C13	sing	1.47Å	1.46Å
C13	C15	sing	1.51Å	1.52Å
C15	O17	doub	1.21Å	1.25Å
C15	O16	sing	1.34Å	1.26Å
C03	H031	sing	1.09Å	1.10Å
C04	H041	sing	1.09Å	1.10Å
C04	H042	sing	1.09Å	1.10Å
C06	H061	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
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
C13	H131	sing	1.09Å	1.10Å
N09	H091	sing	0.97Å	1.00Å
N10	H2	sing	1.01Å	1.00Å
N14	H3	sing	1.01Å	1.00Å
N14	H141	sing	1.01Å	1.00Å
O01	H4	sing	0.97Å	0.95Å
O16	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C08	N09	C05	107.2°	107.2°
N09	C08	N07	109.7°	108.7°
N09	C08	H081	125.1°	125.6°
C08	N09	H091	126.4°	126.4°
N09	C05	C04	125.5°	126.6°
N09	C05	C06	108.2°	106.8°
C05	N09	H091	126.4°	126.4°
C08	N07	C06	108.4°	109.3°
N07	C08	H081	125.1°	125.6°
O18	C02	O01	122.1°	120.0°
O18	C02	C03	123.1°	120.0°
C05	C04	C03	112.4°	109.5°
C04	C05	C06	126.3°	126.6°
C05	C04	H041	108.7°	109.5°
C05	C04	H042	108.8°	109.5°
C04	C03	C02	99.8°	109.4°
C04	C03	N10	111.7°	109.5°
C04	C03	H031	110.8°	109.5°
C03	C04	H041	108.7°	109.5°
C03	C04	H042	108.7°	109.5°
C05	C06	N07	106.5°	108.0°
C05	C06	H061	126.7°	126.0°
O01	C02	C03	114.7°	120.0°
C02	O01	H4	109.5°	117.0°
C02	C03	N10	110.8°	109.5°
C02	C03	H031	110.9°	109.5°
N07	C06	H061	126.8°	126.0°
C03	N10	C11	109.4°	111.0°
N10	C03	H031	112.2°	109.5°
C03	N10	H2	109.5°	111.0°
N10	C11	C12	108.7°	109.5°
N10	C11	H112	109.7°	109.5°
N10	C11	H111	109.7°	109.5°
C11	N10	H2	109.5°	111.0°
C11	C12	C13	106.0°	109.5°
C12	C11	H112	109.6°	109.5°
C12	C11	H111	109.7°	109.5°
C11	C12	H121	110.3°	109.5°
C11	C12	H122	110.3°	109.5°
C12	C13	N14	108.5°	109.5°
C12	C13	C15	110.6°	109.5°
C13	C12	H121	110.3°	109.5°
C13	C12	H122	110.3°	109.4°
C12	C13	H131	107.7°	109.5°
N14	C13	C15	113.3°	109.5°
N14	C13	H131	108.7°	109.5°
C13	N14	H3	109.5°	111.1°
C13	N14	H141	109.5°	111.0°
C13	C15	O17	117.6°	120.0°
C13	C15	O16	122.2°	120.0°
C15	C13	H131	107.9°	109.5°
O17	C15	O16	120.1°	120.0°
C15	O16	H5	109.5°	117.0°
H041	C04	H042	109.4°	109.5°
H112	C11	H111	109.5°	109.4°
H121	C12	H122	109.5°	109.5°
H3	N14	H141	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C08	N09	C05	H091	180.0°	179.6°
N09	C08	N07	H081	180.0°	179.8°
C08	N09	C05	C04	179.4°	179.9°
C08	N09	C05	C06	0.4°	0.4°
N09	C08	N07	C06	0.1°	0.2°
C05	N09	C08	N07	0.3°	0.4°
N09	C05	C04	C06	179.8°	179.6°
N09	C05	C04	C03	172.0°	95.3°
N09	C05	C06	N07	0.3°	0.3°
N09	C05	C04	H041	51.6°	144.7°
N09	C05	C04	H042	67.5°	24.7°
N09	C05	C06	H061	179.7°	179.8°
C05	N09	C08	H081	179.7°	179.9°
C08	N07	C06	C05	0.1°	0.0°
C08	N07	C06	H061	179.9°	180.0°
N07	C08	N09	H091	179.7°	180.0°
O18	C02	C03	C04	97.9°	119.8°
O18	C02	O01	C03	177.5°	179.8°
O18	C02	C03	N10	144.3°	0.2°
O18	C02	C03	H031	19.0°	120.2°
O18	C02	O01	H4	0.0°	0.2°
C05	C04	C03	H041	120.4°	120.0°
C05	C04	C03	H042	120.5°	120.0°
C05	C04	C03	C02	170.6°	175.0°
C04	C05	C06	N07	179.5°	179.9°
C05	C04	C03	N10	72.3°	65.0°
C05	C04	C03	H031	53.6°	55.0°
C05	C04	H041	H042	118.7°	120.0°
C04	C05	C06	H061	0.5°	0.1°
C04	C05	N09	H091	0.6°	0.3°
C03	C04	C05	C06	8.2°	85.1°
C04	C03	C02	O01	79.6°	60.0°
C04	C03	C02	N10	117.8°	120.0°
C04	C03	C02	H031	116.9°	120.0°
C04	C03	N10	H031	125.2°	120.0°
C04	C03	N10	C11	160.6°	155.0°
C03	C04	H041	H042	118.7°	120.0°
C04	C03	N10	H2	40.6°	81.0°
C05	C06	N07	H061	180.0°	179.9°
C06	C05	C04	H041	128.6°	34.9°
C06	C05	C04	H042	112.3°	154.9°
C06	C05	N09	H091	179.6°	180.0°
O01	C02	C03	N10	38.2°	180.0°
O01	C02	C03	H031	163.5°	60.0°
C02	C03	N10	H031	124.6°	120.0°
C02	C03	N10	C11	50.3°	85.0°
C02	C03	C04	H041	50.1°	65.0°
C02	C03	C04	H042	69.0°	55.0°
C02	C03	N10	H2	69.7°	38.9°
C03	C02	O01	H4	177.5°	180.0°
C06	N07	C08	H081	179.9°	180.0°
C03	N10	C11	H2	120.0°	124.0°
C03	N10	C11	C12	162.5°	180.0°
N10	C03	C04	H041	167.2°	55.0°
N10	C03	C04	H042	48.1°	175.0°
C03	N10	C11	H112	42.6°	60.0°
C03	N10	C11	H111	77.6°	60.0°
N10	C11	C12	H112	119.9°	120.0°
N10	C11	C12	H111	119.9°	120.0°
N10	C11	C12	C13	78.8°	180.0°
C11	N10	C03	H031	74.2°	35.0°
N10	C11	H112	H111	120.4°	120.0°
N10	C11	C12	H121	161.7°	60.0°
N10	C11	C12	H122	40.6°	60.0°
C11	C12	C13	H121	119.4°	120.0°
C11	C12	C13	H122	119.5°	120.0°
C11	C12	C13	N14	104.6°	65.0°
C11	C12	C13	C15	130.6°	175.0°
C12	C11	H112	H111	120.3°	120.0°
C11	C12	H121	H122	121.6°	120.0°
C11	C12	C13	H131	12.9°	55.0°
C12	C11	N10	H2	77.5°	56.0°
C12	C13	N14	C15	123.3°	120.0°
C12	C13	N14	H131	116.8°	120.0°
C12	C13	C15	H131	117.5°	120.0°
C12	C13	C15	O17	144.9°	100.0°
C12	C13	C15	O16	34.5°	80.0°
C13	C12	C11	H112	41.1°	60.0°
C13	C12	C11	H111	161.3°	60.0°
C13	C12	H121	H122	121.6°	120.0°
C12	C13	N14	H3	180.0°	176.1°
C12	C13	N14	H141	60.0°	59.9°
N14	C13	C15	H131	120.4°	120.0°
N14	C13	C15	O17	93.0°	20.0°
N14	C13	C15	O16	87.6°	160.0°
N14	C13	C12	H121	136.0°	175.0°
N14	C13	C12	H122	14.9°	55.0°
C13	N14	H3	H141	120.0°	124.0°
C13	C15	O17	O16	179.4°	180.0°
C15	C13	C12	H121	11.1°	55.0°
C15	C13	C12	H122	110.0°	65.0°
C15	C13	N14	H3	56.7°	63.9°
C15	C13	N14	H141	63.3°	60.1°
C13	C15	O16	H5	179.4°	180.0°
O17	C15	C13	H131	27.4°	140.0°
O17	C15	O16	H5	0.0°	0.0°
O16	C15	C13	H131	152.1°	40.0°
H031	C03	C04	H041	66.8°	175.0°
H031	C03	C04	H042	174.1°	65.0°
H031	C03	N10	H2	165.7°	159.0°
H081	C08	N09	H091	0.3°	0.3°
H112	C11	C12	H121	78.4°	60.0°
H112	C11	C12	H122	160.5°	180.0°
H112	C11	N10	H2	162.6°	64.0°
H111	C11	C12	H121	41.9°	180.0°
H111	C11	C12	H122	79.3°	60.0°
H111	C11	N10	H2	42.4°	176.0°
H121	C12	C13	H131	106.5°	65.0°
H122	C12	C13	H131	132.4°	175.0°
H131	C13	N14	H3	63.2°	56.0°
H131	C13	N14	H141	176.9°	180.0°

Release date:	2019-10-30
Definition date:	2019-06-17
Last modified:	2019-10-25
Release status:	REL
Processing site:	RCSB
Derived from:	6PBN