8HC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C14	doub	1.36Å	1.40Å	Aromatic
C13	C07	sing	1.41Å	1.43Å	Aromatic
C14	C04	sing	1.40Å	1.39Å	Aromatic
C08	C07	doub	1.40Å	1.42Å	Aromatic
C08	C09	sing	1.36Å	1.40Å	Aromatic
C07	C06	sing	1.42Å	1.38Å	Aromatic
O01	C02	doub	1.21Å	1.26Å
C04	C02	sing	1.48Å	1.49Å
C04	N05	doub	1.32Å	1.33Å	Aromatic
C09	C10	doub	1.39Å	1.39Å	Aromatic
C02	O03	sing	1.35Å	1.28Å
C06	N05	sing	1.33Å	1.35Å	Aromatic
C06	C11	doub	1.41Å	1.41Å	Aromatic
C10	C11	sing	1.37Å	1.39Å	Aromatic
C11	O12	sing	1.36Å	1.37Å
O03	H1	sing	0.97Å	0.95Å
C08	H081	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C10	H101	sing	1.08Å	1.08Å
O12	H121	sing	0.97Å	0.95Å
C13	H131	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	C07	119.5°	118.3°
C13	C14	C04	118.4°	119.8°
C14	C13	H131	120.3°	120.9°
C13	C14	H141	120.8°	120.2°
C13	C07	C08	122.9°	121.2°
C13	C07	C06	118.4°	119.2°
C07	C13	H131	120.2°	120.8°
C14	C04	C02	121.5°	119.3°
C14	C04	N05	120.6°	121.5°
C04	C14	H141	120.8°	120.1°
C07	C08	C09	120.5°	119.7°
C08	C07	C06	118.7°	119.6°
C07	C08	H081	119.7°	120.1°
C08	C09	C10	119.7°	121.0°
C09	C08	H081	119.7°	120.1°
C08	C09	H091	120.2°	119.4°
C07	C06	N05	120.0°	120.0°
C07	C06	C11	120.7°	119.0°
O01	C02	C04	118.2°	120.1°
O01	C02	O03	122.5°	119.9°
C02	C04	N05	117.9°	119.3°
C04	C02	O03	119.3°	120.0°
C04	N05	C06	123.1°	121.3°
C09	C10	C11	120.1°	121.0°
C10	C09	H091	120.2°	119.5°
C09	C10	H101	119.9°	119.5°
C02	O03	H1	109.5°	117.0°
N05	C06	C11	119.2°	121.0°
C06	C11	C10	120.2°	119.7°
C06	C11	O12	119.9°	120.1°
C10	C11	O12	119.9°	120.2°
C11	C10	H101	120.0°	119.5°
C11	O12	H121	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	C07	H131	180.0°	179.4°
C13	C14	C04	H141	180.0°	179.5°
C14	C13	C07	C08	179.7°	179.7°
C14	C13	C07	C06	0.1°	0.4°
C13	C14	C04	C02	179.5°	179.7°
C13	C14	C04	N05	0.2°	0.5°
C07	C13	C14	C04	0.1°	0.6°
C13	C07	C08	C06	179.8°	179.9°
C13	C07	C08	C09	179.9°	180.0°
C13	C07	C06	N05	0.3°	0.1°
C13	C07	C06	C11	180.0°	180.0°
C13	C07	C08	H081	0.1°	0.1°
C07	C13	C14	H141	179.9°	179.9°
C14	C04	C02	O01	1.9°	0.3°
C14	C04	C02	N05	179.3°	179.8°
C14	C04	C02	O03	179.6°	179.5°
C14	C04	N05	C06	0.6°	0.2°
C04	C14	C13	H131	179.9°	180.0°
C07	C08	C09	H081	180.0°	179.9°
C07	C08	C09	C10	0.0°	0.0°
C08	C07	C06	N05	179.9°	180.0°
C08	C07	C06	C11	0.2°	0.1°
C07	C08	C09	H091	180.0°	180.0°
C08	C07	C13	H131	0.3°	0.3°
C09	C08	C07	C06	0.1°	0.1°
C08	C09	C10	H091	180.0°	180.0°
C08	C09	C10	C11	0.1°	0.0°
C08	C09	C10	H101	180.0°	180.0°
C07	C06	N05	C04	0.7°	0.1°
C07	C06	N05	C11	179.7°	179.9°
C07	C06	C11	C10	0.3°	0.0°
C07	C06	C11	O12	179.7°	180.0°
C06	C07	C08	H081	179.9°	180.0°
C06	C07	C13	H131	179.9°	179.8°
O01	C02	C04	O03	178.4°	179.8°
O01	C02	C04	N05	177.4°	179.9°
O01	C02	O03	H1	0.0°	0.1°
C02	C04	N05	C06	179.9°	180.0°
C04	C02	O03	H1	178.4°	179.7°
C02	C04	C14	H141	0.5°	0.2°
N05	C04	C02	O03	1.1°	0.2°
C04	N05	C06	C11	179.7°	179.9°
N05	C04	C14	H141	179.8°	180.0°
C09	C10	C11	C06	0.2°	0.0°
C09	C10	C11	H101	180.0°	180.0°
C09	C10	C11	O12	179.6°	180.0°
C10	C09	C08	H081	180.0°	180.0°
N05	C06	C11	C10	180.0°	179.9°
N05	C06	C11	O12	0.6°	0.1°
C06	C11	C10	O12	179.5°	180.0°
C06	C11	C10	H101	179.9°	180.0°
C06	C11	O12	H121	180.0°	90.1°
C11	C10	C09	H091	179.9°	180.0°
C10	C11	O12	H121	0.5°	90.0°
O12	C11	C10	H101	0.4°	0.0°
H081	C08	C09	H091	0.0°	0.0°
H091	C09	C10	H101	0.0°	0.0°
H131	C13	C14	H141	0.1°	0.5°

Release date:	2014-01-08
Definition date:	2013-08-08
Last modified:	2014-01-03
Release status:	REL
Processing site:	RCSB
Derived from:	4LV4