LQQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	0.00Å	1.21Å
C02	C01	sing	0.00Å	1.50Å
C02	C03	sing	0.00Å	1.50Å
C01	H011	sing	0.00Å	1.10Å
C01	H012	sing	0.00Å	1.10Å
C01	H013	sing	0.00Å	1.10Å
C03	C04	doub	0.00Å	1.40Å	Aromatic
C03	C15	sing	0.00Å	1.40Å	Aromatic
C04	C05	sing	0.00Å	1.50Å
C04	C06	sing	0.00Å	1.48Å	Aromatic
C05	H051	sing	0.00Å	1.10Å
C05	H052	sing	0.00Å	1.10Å
C05	H053	sing	0.00Å	1.10Å
C06	C07	sing	0.00Å	1.46Å	Aromatic
C06	C09	doub	0.00Å	1.46Å	Aromatic
C07	N01	doub	0.00Å	1.34Å	Aromatic
C07	H1	sing	0.00Å	1.08Å
N01	C08	sing	0.00Å	1.35Å	Aromatic
C08	N02	doub	0.00Å	1.37Å	Aromatic
C08	N04	sing	0.00Å	1.36Å
N02	C09	sing	0.00Å	1.36Å	Aromatic
C09	N03	sing	0.00Å	1.36Å	Aromatic
N03	C10	sing	0.00Å	1.47Å
N03	C15	sing	0.00Å	1.43Å	Aromatic
C10	C11	sing	0.00Å	1.52Å
C10	C14	sing	0.00Å	1.53Å
C10	H10	sing	0.00Å	1.10Å
C11	C12	sing	0.00Å	1.53Å
C11	H111	sing	0.00Å	1.10Å
C11	H112	sing	0.00Å	1.10Å
C12	C13	sing	0.00Å	1.54Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C13	C14	sing	0.00Å	1.53Å
C13	H131	sing	0.00Å	1.10Å
C13	H132	sing	0.00Å	1.10Å
C14	H141	sing	0.00Å	1.10Å
C14	H142	sing	0.00Å	1.10Å
C15	O02	doub	0.00Å	1.26Å
N04	C16	sing	0.00Å	1.36Å
N04	H04	sing	0.00Å	1.00Å
C16	N05	doub	0.00Å	1.35Å	Aromatic
C16	C20	sing	0.00Å	1.39Å	Aromatic
N05	C17	sing	0.00Å	1.34Å	Aromatic
C17	C18	doub	0.00Å	1.40Å	Aromatic
C17	H17	sing	0.00Å	1.08Å
C18	C19	sing	0.00Å	1.39Å	Aromatic
C18	N06	sing	0.00Å	1.41Å
C19	C20	doub	0.00Å	1.38Å	Aromatic
C19	H19	sing	0.00Å	1.08Å
C20	H20	sing	0.00Å	1.08Å
N06	C21	sing	0.00Å	1.48Å
N06	C24	sing	0.00Å	1.49Å
C21	C22	sing	0.00Å	1.53Å
C21	H211	sing	0.00Å	1.10Å
C21	H212	sing	0.00Å	1.10Å
C22	N07	sing	0.00Å	1.45Å
C22	H221	sing	0.00Å	1.10Å
C22	H222	sing	0.00Å	1.10Å
N07	C23	sing	0.00Å	1.46Å
N07	H07	sing	0.00Å	1.00Å
C23	C24	sing	0.00Å	1.53Å
C23	H231	sing	0.00Å	1.10Å
C23	H232	sing	0.00Å	1.10Å
C24	H241	sing	0.00Å	1.10Å
C24	H242	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C01	122.3°	90.0°
O01	C02	C03	118.9°	90.0°
C01	C02	C03	118.7°	90.0°
C02	C01	H011	109.5°	90.0°
C02	C01	H012	109.5°	90.0°
C02	C01	H013	109.5°	90.0°
C02	C03	C04	121.7°	90.0°
C02	C03	C15	117.8°	90.0°
H011	C01	H012	109.5°	90.0°
H011	C01	H013	109.5°	90.0°
H012	C01	H013	109.5°	90.0°
C04	C03	C15	120.5°	90.0°
C03	C04	C05	122.9°	90.0°
C03	C04	C06	118.1°	90.0°
C03	C15	N03	121.3°	90.0°
C03	C15	O02	117.3°	90.0°
C05	C04	C06	118.4°	90.0°
C04	C05	H051	109.5°	90.0°
C04	C05	H052	109.5°	90.0°
C04	C05	H053	109.5°	90.0°
C04	C06	C07	121.6°	90.0°
C04	C06	C09	118.6°	90.0°
H051	C05	H052	109.5°	90.0°
H051	C05	H053	109.5°	90.0°
H052	C05	H053	109.4°	90.0°
C07	C06	C09	117.0°	90.0°
C06	C07	N01	119.5°	90.0°
C06	C07	H1	120.2°	90.0°
C06	C09	N02	116.7°	90.0°
C06	C09	N03	119.5°	90.0°
N01	C07	H1	120.3°	90.0°
C07	N01	C08	121.7°	90.0°
N01	C08	N02	120.6°	90.0°
N01	C08	N04	114.9°	90.0°
N02	C08	N04	124.5°	90.0°
C08	N02	C09	123.0°	90.0°
C08	N04	C16	128.4°	90.0°
C08	N04	H04	115.8°	90.0°
N02	C09	N03	123.2°	90.0°
C09	N03	C10	118.8°	90.0°
C09	N03	C15	120.5°	90.0°
C10	N03	C15	120.6°	90.0°
N03	C10	C11	115.4°	90.0°
N03	C10	C14	109.0°	90.0°
N03	C10	H10	104.9°	90.0°
N03	C15	O02	121.4°	90.0°
C11	C10	C14	106.9°	90.0°
C11	C10	H10	107.1°	90.0°
C10	C11	C12	106.8°	90.0°
C10	C11	H111	111.0°	90.0°
C10	C11	H112	110.3°	90.0°
C14	C10	H10	113.8°	90.0°
C10	C14	C13	107.7°	90.0°
C10	C14	H141	110.5°	90.0°
C10	C14	H142	110.0°	90.0°
C12	C11	H111	110.9°	90.0°
C12	C11	H112	110.4°	90.0°
C11	C12	C13	108.7°	90.0°
C11	C12	H121	109.9°	90.0°
C11	C12	H122	109.7°	90.0°
H111	C11	H112	107.4°	90.0°
C13	C12	H121	109.9°	90.0°
C13	C12	H122	109.7°	90.0°
C12	C13	C14	106.0°	90.0°
C12	C13	H131	111.4°	90.0°
C12	C13	H132	110.7°	90.0°
H121	C12	H122	108.9°	90.0°
C14	C13	H131	111.4°	90.0°
C14	C13	H132	110.7°	90.0°
C13	C14	H141	110.4°	90.0°
C13	C14	H142	110.1°	90.0°
H131	C13	H132	106.8°	90.0°
H141	C14	H142	108.1°	90.0°
C16	N04	H04	115.8°	90.0°
N04	C16	N05	118.2°	90.0°
N04	C16	C20	121.4°	90.0°
N05	C16	C20	120.4°	90.0°
C16	N05	C17	121.1°	90.0°
C16	C20	C19	119.3°	90.0°
C16	C20	H20	120.4°	90.0°
N05	C17	C18	120.6°	90.0°
N05	C17	H17	119.7°	90.0°
C18	C17	H17	119.7°	90.0°
C17	C18	C19	119.0°	90.0°
C17	C18	N06	121.0°	90.0°
C19	C18	N06	120.0°	90.0°
C18	C19	C20	119.5°	90.0°
C18	C19	H19	120.2°	90.0°
C18	N06	C21	109.5°	90.0°
C18	N06	C24	110.3°	90.0°
C20	C19	H19	120.2°	90.0°
C19	C20	H20	120.3°	90.0°
C21	N06	C24	112.7°	90.0°
N06	C21	C22	110.8°	90.0°
N06	C21	H211	108.7°	90.0°
N06	C21	H212	109.0°	90.0°
N06	C24	C23	113.4°	90.0°
N06	C24	H241	107.3°	90.0°
N06	C24	H242	108.2°	90.0°
C22	C21	H211	108.7°	90.0°
C22	C21	H212	109.0°	90.0°
C21	C22	N07	110.6°	90.0°
C21	C22	H221	108.8°	90.0°
C21	C22	H222	109.1°	90.0°
H211	C21	H212	110.5°	90.0°
N07	C22	H221	108.8°	90.0°
N07	C22	H222	109.1°	90.0°
C22	N07	C23	121.2°	90.0°
C22	N07	H07	105.7°	90.0°
H221	C22	H222	110.4°	90.0°
C23	N07	H07	105.8°	90.0°
N07	C23	C24	114.0°	90.0°
N07	C23	H231	106.9°	90.0°
N07	C23	H232	108.0°	90.0°
C24	C23	H231	106.9°	90.0°
C24	C23	H232	108.0°	90.0°
C23	C24	H241	107.3°	90.0°
C23	C24	H242	108.2°	90.0°
H231	C23	H232	113.1°	90.0°
H241	C24	H242	112.6°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C01	C03	179.0°	90.0°
O01	C02	C01	H011	154.9°	90.0°
O01	C02	C01	H012	34.9°	90.0°
O01	C02	C01	H013	85.2°	90.0°
O01	C02	C03	C04	87.2°	90.0°
O01	C02	C03	C15	95.6°	90.0°
C02	C01	H011	H012	120.0°	90.0°
C02	C01	H011	H013	120.0°	90.0°
C02	C01	H012	H013	120.0°	90.0°
C01	C02	C03	C04	93.8°	90.0°
C01	C02	C03	C15	83.4°	90.0°
C03	C02	C01	H011	26.1°	90.0°
C03	C02	C01	H012	146.1°	90.0°
C03	C02	C01	H013	93.9°	90.0°
C02	C03	C04	C15	177.1°	90.0°
C02	C03	C04	C05	4.0°	90.0°
C02	C03	C04	C06	174.6°	90.0°
C02	C03	C15	N03	179.5°	90.0°
C02	C03	C15	O02	0.8°	90.0°
H011	C01	H012	H013	120.0°	90.0°
C03	C04	C05	C06	170.6°	90.0°
C03	C04	C05	H051	179.2°	90.0°
C03	C04	C05	H052	59.2°	90.0°
C03	C04	C05	H053	60.8°	90.0°
C03	C04	C06	C07	174.6°	90.0°
C03	C04	C06	C09	14.1°	90.0°
C04	C03	C15	N03	2.3°	90.0°
C04	C03	C15	O02	178.0°	90.0°
C15	C03	C04	C05	178.9°	90.0°
C15	C03	C04	C06	8.3°	90.0°
C03	C15	N03	C09	2.3°	90.0°
C03	C15	N03	C10	179.1°	90.0°
C03	C15	N03	O02	179.7°	90.0°
C04	C05	H051	H052	120.0°	90.0°
C04	C05	H051	H053	120.1°	90.0°
C04	C05	H052	H053	120.0°	90.0°
C05	C04	C06	C07	14.3°	90.0°
C05	C04	C06	C09	174.8°	90.0°
C06	C04	C05	H051	8.5°	90.0°
C06	C04	C05	H052	111.5°	90.0°
C06	C04	C05	H053	128.6°	90.0°
C04	C06	C07	C09	160.8°	90.0°
C04	C06	C07	N01	175.6°	90.0°
C04	C06	C07	H1	4.4°	90.0°
C04	C06	C09	N02	175.1°	90.0°
C04	C06	C09	N03	14.3°	90.0°
H051	C05	H052	H053	120.0°	90.0°
C06	C07	N01	H1	180.0°	90.0°
C06	C07	N01	C08	9.4°	90.0°
C07	C06	C09	N02	13.7°	90.0°
C07	C06	C09	N03	175.7°	90.0°
C09	C06	C07	N01	14.8°	90.0°
C09	C06	C07	H1	165.2°	90.0°
C06	C09	N02	C08	7.8°	90.0°
C06	C09	N02	N03	170.3°	90.0°
C06	C09	N03	C10	174.7°	90.0°
C06	C09	N03	C15	8.3°	90.0°
C07	N01	C08	N02	2.7°	90.0°
C07	N01	C08	N04	177.6°	90.0°
H1	C07	N01	C08	170.6°	90.0°
N01	C08	N02	N04	179.6°	90.0°
N01	C08	N02	C09	2.0°	90.0°
N01	C08	N04	C16	175.5°	90.0°
N01	C08	N04	H04	4.5°	90.0°
C08	N02	C09	N03	178.0°	90.0°
N02	C08	N04	C16	4.9°	90.0°
N02	C08	N04	H04	175.1°	90.0°
N04	C08	N02	C09	178.4°	90.0°
C08	N04	C16	H04	180.0°	90.0°
C08	N04	C16	N05	164.6°	90.0°
C08	N04	C16	C20	16.2°	90.0°
N02	C09	N03	C10	4.7°	90.0°
N02	C09	N03	C15	178.3°	90.0°
C09	N03	C10	C15	176.9°	90.0°
C09	N03	C10	C11	132.5°	90.0°
C09	N03	C10	C14	107.3°	90.0°
C09	N03	C10	H10	14.9°	90.0°
C09	N03	C15	O02	178.1°	90.0°
N03	C10	C11	C14	121.3°	90.0°
N03	C10	C11	H10	116.4°	90.0°
N03	C10	C14	H10	116.7°	90.0°
N03	C10	C11	C12	137.6°	90.0°
N03	C10	C11	H111	16.6°	90.0°
N03	C10	C11	H112	102.4°	90.0°
N03	C10	C14	C13	146.1°	90.0°
N03	C10	C14	H141	93.2°	90.0°
N03	C10	C14	H142	26.0°	90.0°
C10	N03	C15	O02	1.2°	90.0°
C15	N03	C10	C11	50.5°	90.0°
C15	N03	C10	C14	69.7°	90.0°
C15	N03	C10	H10	168.1°	90.0°
C11	C10	C14	H10	118.0°	90.0°
C10	C11	C12	H111	121.0°	90.0°
C10	C11	C12	H112	120.0°	90.0°
C10	C11	H111	H112	120.7°	90.0°
C10	C11	C12	C13	6.0°	90.0°
C10	C11	C12	H121	126.2°	90.0°
C10	C11	C12	H122	114.0°	90.0°
C11	C10	C14	C13	20.7°	90.0°
C11	C10	C14	H141	141.4°	90.0°
C11	C10	C14	H142	99.3°	90.0°
C14	C10	C11	C12	16.2°	90.0°
C14	C10	C11	H111	104.8°	90.0°
C14	C10	C11	H112	136.3°	90.0°
C10	C14	C13	C12	16.8°	90.0°
C10	C14	C13	H141	120.7°	90.0°
C10	C14	C13	H142	120.0°	90.0°
C10	C14	C13	H131	138.1°	90.0°
C10	C14	C13	H132	103.3°	90.0°
C10	C14	H141	H142	120.5°	90.0°
H10	C10	C11	C12	106.1°	90.0°
H10	C10	C11	H111	132.9°	90.0°
H10	C10	C11	H112	14.0°	90.0°
H10	C10	C14	C13	97.3°	90.0°
H10	C10	C14	H141	23.4°	90.0°
H10	C10	C14	H142	142.7°	90.0°
C12	C11	H111	H112	120.7°	90.0°
C11	C12	C13	H121	120.3°	90.0°
C11	C12	C13	H122	120.0°	90.0°
C11	C12	H121	H122	120.2°	90.0°
C11	C12	C13	C14	6.7°	90.0°
C11	C12	C13	H131	128.0°	90.0°
C11	C12	C13	H132	113.3°	90.0°
H111	C11	C12	C13	115.1°	90.0°
H111	C11	C12	H121	5.2°	90.0°
H111	C11	C12	H122	124.9°	90.0°
H112	C11	C12	C13	125.9°	90.0°
H112	C11	C12	H121	113.8°	90.0°
H112	C11	C12	H122	6.0°	90.0°
C13	C12	H121	H122	120.2°	90.0°
C12	C13	C14	H131	121.4°	90.0°
C12	C13	C14	H132	120.0°	90.0°
C12	C13	H131	H132	120.9°	90.0°
C12	C13	C14	H141	137.5°	90.0°
C12	C13	C14	H142	103.2°	90.0°
H121	C12	C13	C14	113.6°	90.0°
H121	C12	C13	H131	7.7°	90.0°
H121	C12	C13	H132	126.4°	90.0°
H122	C12	C13	C14	126.6°	90.0°
H122	C12	C13	H131	112.0°	90.0°
H122	C12	C13	H132	6.6°	90.0°
C14	C13	H131	H132	120.9°	90.0°
C13	C14	H141	H142	120.5°	90.0°
H131	C13	C14	H141	101.2°	90.0°
H131	C13	C14	H142	18.1°	90.0°
H132	C13	C14	H141	17.5°	90.0°
H132	C13	C14	H142	136.8°	90.0°
N04	C16	N05	C20	179.3°	90.0°
N04	C16	N05	C17	179.7°	90.0°
N04	C16	C20	C19	179.8°	90.0°
N04	C16	C20	H20	0.2°	90.0°
H04	N04	C16	N05	15.4°	90.0°
H04	N04	C16	C20	163.8°	90.0°
C16	N05	C17	C18	0.2°	90.0°
C16	N05	C17	H17	179.8°	90.0°
N05	C16	C20	C19	0.5°	90.0°
N05	C16	C20	H20	179.5°	90.0°
C20	C16	N05	C17	0.4°	90.0°
C16	C20	C19	C18	0.4°	90.0°
C16	C20	C19	H20	180.0°	90.0°
C16	C20	C19	H19	179.6°	90.0°
N05	C17	C18	H17	180.0°	90.0°
N05	C17	C18	C19	0.0°	90.0°
N05	C17	C18	N06	180.0°	90.0°
C17	C18	C19	N06	180.0°	90.0°
C17	C18	C19	C20	0.1°	90.0°
C17	C18	C19	H19	179.9°	90.0°
C17	C18	N06	C21	59.7°	90.0°
C17	C18	N06	C24	175.7°	90.0°
H17	C17	C18	C19	180.0°	90.0°
H17	C17	C18	N06	0.0°	90.0°
C18	C19	C20	H19	180.0°	90.0°
C18	C19	C20	H20	179.6°	90.0°
C19	C18	N06	C21	120.3°	90.0°
C19	C18	N06	C24	4.3°	90.0°
N06	C18	C19	C20	179.9°	90.0°
N06	C18	C19	H19	0.1°	90.0°
C18	N06	C21	C24	123.3°	90.0°
C18	N06	C21	C22	177.5°	90.0°
C18	N06	C21	H211	58.1°	90.0°
C18	N06	C21	H212	62.4°	90.0°
C18	N06	C24	C23	173.3°	90.0°
C18	N06	C24	H241	55.0°	90.0°
C18	N06	C24	H242	66.7°	90.0°
H19	C19	C20	H20	0.4°	90.0°
N06	C21	C22	H211	119.4°	90.0°
N06	C21	C22	H212	120.0°	90.0°
N06	C21	H211	H212	119.6°	90.0°
N06	C21	C22	N07	52.8°	90.0°
N06	C21	C22	H221	66.7°	90.0°
N06	C21	C22	H222	172.8°	90.0°
C21	N06	C24	C23	50.5°	90.0°
C21	N06	C24	H241	67.8°	90.0°
C21	N06	C24	H242	170.4°	90.0°
C24	N06	C21	C22	59.2°	90.0°
C24	N06	C21	H211	178.6°	90.0°
C24	N06	C21	H212	60.8°	90.0°
N06	C24	C23	N07	36.3°	90.0°
N06	C24	C23	H241	118.3°	90.0°
N06	C24	C23	H242	120.0°	90.0°
N06	C24	C23	H231	81.7°	90.0°
N06	C24	C23	H232	156.3°	90.0°
N06	C24	H241	H242	118.9°	90.0°
C22	C21	H211	H212	119.6°	90.0°
C21	C22	N07	H221	119.5°	90.0°
C21	C22	N07	H222	120.0°	90.0°
C21	C22	H221	H222	119.7°	90.0°
C21	C22	N07	C23	42.3°	90.0°
C21	C22	N07	H07	77.8°	90.0°
H211	C21	C22	N07	172.3°	90.0°
H211	C21	C22	H221	52.8°	90.0°
H211	C21	C22	H222	67.8°	90.0°
H212	C21	C22	N07	67.2°	90.0°
H212	C21	C22	H221	173.3°	90.0°
H212	C21	C22	H222	52.8°	90.0°
N07	C22	H221	H222	119.7°	90.0°
C22	N07	C23	H07	120.0°	90.0°
C22	N07	C23	C24	34.2°	90.0°
C22	N07	C23	H231	83.8°	90.0°
C22	N07	C23	H232	154.2°	90.0°
H221	C22	N07	C23	77.3°	90.0°
H221	C22	N07	H07	162.7°	90.0°
H222	C22	N07	C23	162.2°	90.0°
H222	C22	N07	H07	42.2°	90.0°
N07	C23	C24	H231	118.0°	90.0°
N07	C23	C24	H232	120.0°	90.0°
N07	C23	H231	H232	118.7°	90.0°
N07	C23	C24	H241	82.0°	90.0°
N07	C23	C24	H242	156.2°	90.0°
H07	N07	C23	C24	85.8°	90.0°
H07	N07	C23	H231	156.2°	90.0°
H07	N07	C23	H232	34.2°	90.0°
C24	C23	H231	H232	118.7°	90.0°
C23	C24	H241	H242	118.9°	90.0°
H231	C23	C24	H241	160.0°	90.0°
H231	C23	C24	H242	38.2°	90.0°
H232	C23	C24	H241	38.0°	90.0°
H232	C23	C24	H242	83.7°	90.0°

Definition date:	2005-11-28
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	2EUF