Obsolete: HQ

HQ was replaced with HQO on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	doub	1.39Å	1.43Å	Aromatic
C8	C9	sing	1.36Å	1.43Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C7	C6	sing	1.36Å	1.44Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C6	C5	doub	1.40Å	1.44Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C5	C10	sing	1.42Å	1.45Å	Aromatic
C5	C4	sing	1.41Å	1.44Å	Aromatic
C10	C9	doub	1.40Å	1.43Å	Aromatic
C10	N1	sing	1.34Å	1.41Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C4	C3	doub	1.38Å	1.43Å	Aromatic
C4	O4	sing	1.36Å	1.53Å
C3	C2	sing	1.39Å	1.44Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C2	N1	doub	1.31Å	1.42Å	Aromatic
C2	C11	sing	1.51Å	1.71Å
N1	O1	sing	1.42Å	1.32Å
O4	HO4	sing	0.97Å	0.95Å
C11	C12	sing	1.53Å	1.53Å
C11	H111	sing	1.09Å	1.11Å
C11	H112	sing	1.09Å	1.11Å
C12	C13	sing	1.53Å	1.54Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.11Å
C13	C14	sing	1.53Å	1.53Å
C13	H131	sing	1.09Å	1.11Å
C13	H132	sing	1.09Å	1.11Å
C14	C15	sing	1.53Å	1.53Å
C14	H141	sing	1.09Å	1.12Å
C14	H142	sing	1.09Å	1.11Å
C15	C16	sing	1.53Å	1.54Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C16	C17	sing	1.53Å	1.56Å
C16	H161	sing	1.09Å	1.12Å
C16	H162	sing	1.09Å	1.12Å
C17	H171	sing	1.09Å	1.12Å
C17	H172	sing	1.09Å	1.12Å
C17	H173	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C9	119.7°	121.1°
C7	C8	H8	120.4°	119.4°
C8	C7	C6	120.7°	120.8°
C8	C7	H7	119.6°	119.6°
C9	C8	H8	119.9°	119.5°
C8	C9	C10	120.2°	119.7°
C8	C9	H9	119.6°	120.1°
C6	C7	H7	119.7°	119.6°
C7	C6	C5	119.7°	119.6°
C7	C6	H6	120.1°	120.2°
C5	C6	H6	120.2°	120.2°
C6	C5	C10	119.4°	119.7°
C6	C5	C4	119.4°	121.4°
C10	C5	C4	121.2°	119.0°
C5	C10	C9	120.2°	119.1°
C5	C10	N1	121.5°	119.9°
C5	C4	C3	116.9°	118.0°
C5	C4	O4	123.4°	121.0°
C9	C10	N1	118.2°	121.0°
C10	C9	H9	120.1°	120.2°
C10	N1	C2	117.3°	121.6°
C10	N1	O1	121.6°	119.2°
C3	C4	O4	119.6°	121.0°
C4	C3	C2	120.4°	119.7°
C4	C3	H3	119.7°	120.1°
C4	O4	HO4	123.4°	106.8°
C2	C3	H3	119.9°	120.1°
C3	C2	N1	122.7°	121.8°
C3	C2	C11	139.3°	119.1°
N1	C2	C11	98.0°	119.1°
C2	N1	O1	120.6°	119.2°
C2	C11	C12	97.0°	109.5°
C2	C11	H111	117.0°	109.4°
C2	C11	H112	117.0°	109.5°
C12	C11	H111	117.1°	109.5°
C12	C11	H112	117.1°	109.5°
C11	C12	C13	103.3°	109.5°
C11	C12	H121	114.6°	109.5°
C11	C12	H122	114.5°	109.5°
H111	C11	H112	93.3°	109.5°
C13	C12	H121	114.5°	109.4°
C13	C12	H122	114.6°	109.5°
C12	C13	C14	113.2°	109.5°
C12	C13	H131	110.8°	109.4°
C12	C13	H132	110.9°	109.5°
H121	C12	H122	95.9°	109.5°
C14	C13	H131	110.8°	109.5°
C14	C13	H132	110.8°	109.5°
C13	C14	C15	109.2°	109.5°
C13	C14	H141	112.3°	109.4°
C13	C14	H142	112.3°	109.5°
H131	C13	H132	99.5°	109.4°
C15	C14	H141	112.3°	109.5°
C15	C14	H142	112.3°	109.5°
C14	C15	C16	110.1°	109.5°
C14	C15	H151	111.9°	109.5°
C14	C15	H152	112.0°	109.5°
H141	C14	H142	98.1°	109.5°
C16	C15	H151	112.0°	109.4°
C16	C15	H152	111.9°	109.5°
C15	C16	C17	109.0°	109.5°
C15	C16	H161	112.4°	109.5°
C15	C16	H162	112.4°	109.4°
H151	C15	H152	98.5°	109.5°
C17	C16	H161	112.4°	109.5°
C17	C16	H162	112.4°	109.5°
C16	C17	H171	112.4°	109.5°
C16	C17	H172	109.0°	109.4°
C16	C17	H173	112.4°	109.4°
H161	C16	H162	98.0°	109.5°
H171	C17	H172	112.4°	109.5°
H171	C17	H173	98.0°	109.5°
H172	C17	H173	112.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C9	H8	180.0°	179.9°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	C5	0.2°	0.0°
C8	C7	C6	H6	179.8°	180.0°
C7	C8	C9	C10	0.3°	0.2°
C7	C8	C9	H9	179.7°	180.0°
C9	C8	C7	C6	0.4°	0.1°
C9	C8	C7	H7	179.6°	179.9°
C8	C9	C10	C5	1.2°	0.1°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	N1	179.7°	179.7°
H8	C8	C7	C6	179.6°	179.9°
H8	C8	C7	H7	0.4°	0.1°
H8	C8	C9	C10	179.7°	180.0°
H8	C8	C9	H9	0.3°	0.1°
C7	C6	C5	H6	180.0°	180.0°
C7	C6	C5	C10	0.7°	0.0°
C7	C6	C5	C4	179.3°	179.9°
H7	C7	C6	C5	179.8°	180.0°
H7	C7	C6	H6	0.2°	0.0°
C6	C5	C10	C4	180.0°	180.0°
C6	C5	C10	C9	1.4°	0.1°
C6	C5	C10	N1	179.5°	179.7°
C6	C5	C4	C3	179.3°	180.0°
C6	C5	C4	O4	0.5°	0.0°
H6	C6	C5	C10	179.3°	180.0°
H6	C6	C5	C4	0.7°	0.0°
C5	C10	C9	N1	179.1°	179.8°
C5	C10	C9	H9	178.8°	180.0°
C10	C5	C4	C3	0.7°	0.1°
C10	C5	C4	O4	179.5°	180.0°
C5	C10	N1	C2	0.3°	0.5°
C5	C10	N1	O1	170.8°	179.7°
C4	C5	C10	C9	178.6°	180.0°
C4	C5	C10	N1	0.5°	0.2°
C5	C4	C3	O4	178.9°	180.0°
C5	C4	C3	C2	0.1°	0.1°
C5	C4	C3	H3	179.9°	180.0°
C5	C4	O4	HO4	180.0°	90.0°
C9	C10	N1	C2	179.4°	179.7°
C9	C10	N1	O1	8.2°	0.1°
N1	C10	C9	H9	0.3°	0.2°
C10	N1	C2	C3	0.9°	0.5°
C10	N1	C2	O1	171.3°	179.8°
C10	N1	C2	C11	179.9°	179.7°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	N1	0.7°	0.2°
C4	C3	C2	C11	179.2°	180.0°
C3	C4	O4	HO4	1.2°	90.0°
O4	C4	C3	C2	179.0°	180.0°
O4	C4	C3	H3	1.0°	0.0°
C3	C2	N1	C11	179.0°	179.8°
C3	C2	N1	O1	170.4°	179.8°
C3	C2	C11	C12	3.0°	84.9°
C3	C2	C11	H111	122.3°	35.1°
C3	C2	C11	H112	128.3°	155.0°
H3	C3	C2	N1	179.3°	179.8°
H3	C3	C2	C11	0.8°	0.1°
N1	C2	C11	C12	178.3°	95.2°
N1	C2	C11	H111	56.4°	144.8°
N1	C2	C11	H112	53.1°	24.8°
C11	C2	N1	O1	8.6°	0.1°
C2	C11	C12	H111	125.2°	120.0°
C2	C11	C12	H112	125.2°	120.0°
C2	C11	H111	H112	122.7°	120.0°
C2	C11	C12	C13	151.5°	180.0°
C2	C11	C12	H121	26.3°	60.0°
C2	C11	C12	H122	83.2°	60.0°
C12	C11	H111	H112	122.8°	120.0°
C11	C12	C13	H121	125.2°	120.0°
C11	C12	C13	H122	125.3°	120.0°
C11	C12	H121	H122	120.4°	120.0°
C11	C12	C13	C14	158.4°	180.0°
C11	C12	C13	H131	76.3°	60.0°
C11	C12	C13	H132	33.2°	59.9°
H111	C11	C12	C13	83.3°	60.0°
H111	C11	C12	H121	151.5°	180.0°
H111	C11	C12	H122	42.0°	60.0°
H112	C11	C12	C13	26.2°	60.0°
H112	C11	C12	H121	99.0°	60.0°
H112	C11	C12	H122	151.5°	180.0°
C13	C12	H121	H122	120.5°	119.9°
C12	C13	C14	H131	125.3°	120.0°
C12	C13	C14	H132	125.3°	120.1°
C12	C13	H131	H132	116.7°	119.9°
C12	C13	C14	C15	138.1°	180.0°
C12	C13	C14	H141	96.6°	60.0°
C12	C13	C14	H142	12.9°	60.0°
H121	C12	C13	C14	33.2°	60.0°
H121	C12	C13	H131	158.4°	180.0°
H121	C12	C13	H132	92.1°	60.1°
H122	C12	C13	C14	76.3°	59.9°
H122	C12	C13	H131	48.9°	60.1°
H122	C12	C13	H132	158.4°	180.0°
C14	C13	H131	H132	116.7°	120.1°
C13	C14	C15	H141	125.3°	120.0°
C13	C14	C15	H142	125.3°	120.0°
C13	C14	H141	H142	118.2°	120.0°
C13	C14	C15	C16	172.7°	180.0°
C13	C14	C15	H151	62.1°	60.1°
C13	C14	C15	H152	47.4°	60.0°
H131	C13	C14	C15	12.9°	60.0°
H131	C13	C14	H141	138.2°	180.0°
H131	C13	C14	H142	112.4°	60.0°
H132	C13	C14	C15	96.6°	59.9°
H132	C13	C14	H141	28.7°	60.0°
H132	C13	C14	H142	138.2°	180.0°
C15	C14	H141	H142	118.3°	120.0°
C14	C15	C16	H151	125.2°	120.0°
C14	C15	C16	H152	125.3°	120.0°
C14	C15	H151	H152	117.9°	120.0°
C14	C15	C16	C17	153.6°	180.0°
C14	C15	C16	H161	81.1°	60.0°
C14	C15	C16	H162	28.4°	60.0°
H141	C14	C15	C16	47.4°	60.0°
H141	C14	C15	H151	172.7°	180.0°
H141	C14	C15	H152	77.8°	60.0°
H142	C14	C15	C16	62.1°	60.0°
H142	C14	C15	H151	63.2°	59.9°
H142	C14	C15	H152	172.7°	180.0°
C16	C15	H151	H152	117.9°	120.0°
C15	C16	C17	H161	125.3°	120.0°
C15	C16	C17	H162	125.3°	120.0°
C15	C16	H161	H162	118.3°	119.9°
C15	C16	C17	H171	54.7°	60.0°
C15	C16	C17	H172	180.0°	60.0°
C15	C16	C17	H173	54.7°	180.0°
H151	C15	C16	C17	28.4°	60.0°
H151	C15	C16	H161	153.6°	180.0°
H151	C15	C16	H162	96.9°	60.0°
H152	C15	C16	C17	81.1°	60.0°
H152	C15	C16	H161	44.2°	60.0°
H152	C15	C16	H162	153.6°	179.9°
C17	C16	H161	H162	118.3°	120.1°
C16	C17	H171	H172	123.4°	120.0°
C16	C17	H171	H173	118.3°	120.0°
C16	C17	H172	H173	125.3°	120.0°
H161	C16	C17	H171	180.0°	60.0°
H161	C16	C17	H172	54.7°	180.0°
H161	C16	C17	H173	70.6°	60.0°
H162	C16	C17	H171	70.6°	180.0°
H162	C16	C17	H172	54.7°	60.0°
H162	C16	C17	H173	180.0°	60.0°
H171	C17	H172	H173	109.4°	120.1°

Definition date:	2002-01-18
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	HQO
Derived from:	1KQG