1DZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C10	doub	1.38Å	1.39Å	Aromatic
C09	C08	sing	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C08	C06	doub	1.40Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C06	C12	sing	1.40Å	1.39Å	Aromatic
C06	C01	sing	1.48Å	1.49Å
C05	C01	doub	1.37Å	1.42Å	Aromatic
C05	C04	sing	1.41Å	1.42Å	Aromatic
C01	N02	sing	1.37Å	1.33Å	Aromatic
O20	C19	doub	1.22Å	1.26Å
C18	C16	sing	1.51Å	1.49Å
C17	C16	doub	1.38Å	1.38Å	Aromatic
C17	C07	sing	1.39Å	1.38Å	Aromatic
C04	C19	sing	1.48Å	1.49Å
C04	N03	doub	1.32Å	1.33Å	Aromatic
N02	N03	sing	1.28Å	1.32Å	Aromatic
N02	C07	sing	1.40Å	1.43Å
C19	O21	sing	1.35Å	1.25Å
C16	C15	sing	1.38Å	1.38Å	Aromatic
C07	C13	doub	1.39Å	1.38Å	Aromatic
C15	C14	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C05	H051	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C10	H101	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C15	H151	sing	1.08Å	1.08Å
C17	H171	sing	1.08Å	1.08Å
C18	H181	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
O21	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C09	C08	120.0°	120.1°
C09	C10	C11	120.0°	120.2°
C10	C09	H091	120.0°	119.9°
C09	C10	H101	120.0°	119.9°
C09	C08	C06	120.0°	119.9°
C09	C08	H081	120.0°	120.1°
C08	C09	H091	120.0°	119.9°
C10	C11	C12	120.0°	120.2°
C11	C10	H101	120.0°	119.9°
C10	C11	H111	120.0°	119.9°
C08	C06	C12	119.9°	119.7°
C08	C06	C01	119.3°	120.2°
C06	C08	H081	120.0°	120.0°
C11	C12	C06	120.1°	119.9°
C12	C11	H111	120.0°	119.9°
C11	C12	H121	120.0°	120.1°
C12	C06	C01	120.7°	120.1°
C06	C12	H121	120.0°	120.0°
C06	C01	C05	125.5°	126.6°
C06	C01	N02	126.9°	126.6°
C01	C05	C04	104.1°	105.5°
C05	C01	N02	107.5°	106.8°
C01	C05	H051	127.9°	127.2°
C05	C04	C19	126.6°	126.3°
C05	C04	N03	108.0°	107.4°
C04	C05	H051	127.9°	127.3°
C01	N02	N03	110.4°	110.0°
C01	N02	C07	125.9°	125.0°
O20	C19	C04	120.4°	120.0°
O20	C19	O21	121.3°	120.0°
C18	C16	C17	119.2°	120.0°
C18	C16	C15	120.7°	119.9°
C16	C18	H181	109.5°	109.4°
C16	C18	H183	109.5°	109.4°
C16	C18	H182	109.5°	109.5°
C16	C17	C07	119.5°	119.9°
C17	C16	C15	120.1°	120.1°
C16	C17	H171	120.3°	120.0°
C17	C07	N02	119.1°	120.1°
C17	C07	C13	120.8°	119.8°
C07	C17	H171	120.3°	120.0°
C19	C04	N03	125.4°	126.3°
C04	C19	O21	118.3°	120.0°
C04	N03	N02	110.0°	110.4°
N03	N02	C07	123.7°	125.0°
N02	C07	C13	120.1°	120.1°
C19	O21	H1	109.5°	117.0°
C16	C15	C14	120.2°	120.1°
C16	C15	H151	119.9°	120.0°
C07	C13	C14	119.6°	120.0°
C07	C13	H131	120.2°	120.1°
C15	C14	C13	119.8°	120.1°
C15	C14	H141	120.1°	119.9°
C14	C15	H151	119.9°	119.9°
C14	C13	H131	120.2°	120.0°
C13	C14	H141	120.1°	120.0°
H181	C18	H183	109.5°	109.4°
H181	C18	H182	109.4°	109.5°
H183	C18	H182	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C09	C08	H091	180.0°	180.0°
C09	C10	C11	H101	180.0°	180.0°
C10	C09	C08	C06	0.1°	0.0°
C09	C10	C11	C12	0.6°	0.0°
C10	C09	C08	H081	179.9°	180.0°
C09	C10	C11	H111	179.4°	180.0°
C08	C09	C10	C11	0.3°	0.0°
C09	C08	C06	H081	180.0°	179.9°
C09	C08	C06	C12	0.3°	0.0°
C09	C08	C06	C01	180.0°	179.7°
C08	C09	C10	H101	179.7°	180.0°
C10	C11	C12	H111	180.0°	180.0°
C10	C11	C12	C06	0.8°	0.0°
C11	C10	C09	H091	179.7°	180.0°
C10	C11	C12	H121	179.2°	179.7°
C08	C06	C12	C11	0.6°	0.0°
C08	C06	C12	C01	179.7°	179.7°
C08	C06	C01	C05	44.8°	153.8°
C08	C06	C01	N02	135.1°	26.6°
C06	C08	C09	H091	179.9°	180.0°
C08	C06	C12	H121	179.4°	179.7°
C11	C12	C06	H121	180.0°	179.7°
C11	C12	C06	C01	179.7°	179.7°
C12	C11	C10	H101	179.4°	180.0°
C12	C06	C01	C05	134.9°	25.9°
C12	C06	C01	N02	45.2°	153.7°
C12	C06	C08	H081	179.7°	179.9°
C06	C12	C11	H111	179.2°	180.0°
C06	C01	C05	N02	179.9°	179.7°
C06	C01	C05	C04	179.8°	179.7°
C06	C01	N02	N03	179.8°	179.7°
C06	C01	N02	C07	0.3°	0.3°
C06	C01	C05	H051	0.2°	0.3°
C01	C06	C08	H081	0.0°	0.4°
C01	C06	C12	H121	0.3°	0.0°
C01	C05	C04	H051	180.0°	180.0°
C01	C05	C04	C19	179.5°	179.9°
C01	C05	C04	N03	0.1°	0.0°
C05	C01	N02	N03	0.1°	0.0°
C05	C01	N02	C07	179.6°	180.0°
C04	C05	C01	N02	0.1°	0.0°
C05	C04	C19	O20	1.8°	0.0°
C05	C04	C19	N03	179.3°	179.9°
C05	C04	N03	N02	0.0°	0.0°
C05	C04	C19	O21	178.9°	180.0°
C01	N02	C07	C17	60.5°	134.5°
C01	N02	N03	C04	0.1°	0.0°
C01	N02	N03	C07	179.5°	180.0°
C01	N02	C07	C13	119.7°	45.8°
N02	C01	C05	H051	179.9°	180.0°
O20	C19	C04	O21	179.3°	180.0°
O20	C19	C04	N03	177.5°	180.0°
O20	C19	O21	H1	0.0°	0.0°
C18	C16	C17	C15	179.7°	179.8°
C18	C16	C17	C07	179.8°	179.7°
C18	C16	C15	C14	179.6°	180.0°
C18	C16	C15	H151	0.4°	0.1°
C18	C16	C17	H171	0.1°	0.2°
C16	C18	H181	H183	120.0°	119.9°
C16	C18	H181	H182	120.0°	120.0°
C16	C18	H183	H182	120.0°	120.1°
C16	C17	C07	H171	180.0°	179.5°
C16	C17	C07	N02	179.7°	179.8°
C16	C17	C07	C13	0.1°	0.6°
C17	C16	C15	C14	0.0°	0.2°
C17	C16	C15	H151	179.9°	179.7°
C17	C16	C18	H181	90.1°	89.7°
C17	C16	C18	H183	149.9°	30.2°
C17	C16	C18	H182	29.8°	150.3°
C17	C07	N02	N03	119.0°	45.5°
C17	C07	N02	C13	179.8°	179.7°
C07	C17	C16	C15	0.1°	0.5°
C17	C07	C13	C14	0.1°	0.3°
C17	C07	C13	H131	179.8°	179.7°
C19	C04	N03	N02	179.4°	179.9°
C19	C04	C05	H051	0.5°	0.0°
C04	C19	O21	H1	179.3°	180.0°
C04	N03	N02	C07	179.6°	180.0°
N03	C04	C19	O21	1.8°	0.1°
N03	C04	C05	H051	179.9°	180.0°
N03	N02	C07	C13	60.8°	134.2°
N02	C07	C13	C14	179.9°	180.0°
N02	C07	C13	H131	0.0°	0.1°
N02	C07	C17	H171	0.3°	0.3°
C16	C15	C14	H151	180.0°	179.9°
C16	C15	C14	C13	0.3°	0.1°
C16	C15	C14	H141	179.7°	180.0°
C15	C16	C17	H171	179.8°	180.0°
C15	C16	C18	H181	90.2°	90.1°
C15	C16	C18	H183	29.8°	150.0°
C15	C16	C18	H182	149.9°	29.9°
C07	C13	C14	C15	0.3°	0.0°
C07	C13	C14	H131	180.0°	180.0°
C07	C13	C14	H141	179.6°	179.9°
C13	C07	C17	H171	179.9°	180.0°
C15	C14	C13	H141	180.0°	179.9°
C15	C14	C13	H131	179.6°	180.0°
C13	C14	C15	H151	179.7°	180.0°
H081	C08	C09	H091	0.1°	0.1°
H091	C09	C10	H101	0.3°	0.0°
H101	C10	C11	H111	0.6°	0.0°
H111	C11	C12	H121	0.8°	0.3°
H131	C13	C14	H141	0.4°	0.1°
H141	C14	C15	H151	0.3°	0.1°
H181	C18	H183	H182	120.0°	120.0°

Release date:	2013-12-11
Definition date:	2013-07-30
Last modified:	2013-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	4LUO