0C5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C17	doub	1.39Å	1.40Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C15	C14	doub	1.39Å	1.39Å	Aromatic
C18	C19	doub	1.40Å	1.39Å	Aromatic
C14	C19	sing	1.40Å	1.39Å	Aromatic
C14	N13	sing	1.39Å	1.44Å
C19	C20	sing	1.43Å	1.51Å
N13	C12	sing	1.39Å	1.52Å
C20	N21	trip	1.14Å	1.08Å
C12	C22	doub	1.40Å	1.41Å	Aromatic
C12	N11	sing	1.33Å	1.35Å	Aromatic
C22	C23	sing	1.38Å	1.39Å	Aromatic
O01	C02	doub	1.22Å	1.25Å
N11	C10	doub	1.32Å	1.34Å	Aromatic
C06	C07	doub	1.38Å	1.39Å	Aromatic
C06	C03	sing	1.40Å	1.40Å	Aromatic
C23	N24	doub	1.32Å	1.35Å	Aromatic
C07	C08	sing	1.39Å	1.39Å	Aromatic
C02	C03	sing	1.47Å	1.48Å
C02	O25	sing	1.35Å	1.30Å
C03	C04	doub	1.40Å	1.38Å	Aromatic
C10	N24	sing	1.33Å	1.34Å	Aromatic
C10	N09	sing	1.39Å	1.44Å
C08	N09	sing	1.39Å	1.44Å
C08	C05	doub	1.39Å	1.39Å	Aromatic
C04	C05	sing	1.38Å	1.39Å	Aromatic
C04	H1	sing	1.08Å	1.08Å
C05	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
N09	H5	sing	0.97Å	1.00Å
N13	H6	sing	0.97Å	1.00Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
O25	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C16	C15	120.9°	120.4°
C16	C17	C18	119.7°	120.3°
C17	C16	H8	119.6°	119.8°
C16	C17	H9	120.2°	119.9°
C16	C15	C14	119.5°	120.1°
C16	C15	H7	120.3°	119.9°
C15	C16	H8	119.5°	119.8°
C17	C18	C19	119.3°	119.9°
C18	C17	H9	120.2°	119.8°
C17	C18	H10	120.4°	120.1°
C15	C14	C19	119.6°	119.7°
C15	C14	N13	119.5°	120.1°
C14	C15	H7	120.3°	120.0°
C18	C19	C14	121.1°	119.6°
C18	C19	C20	118.3°	120.2°
C19	C18	H10	120.3°	120.0°
C19	C14	N13	120.9°	120.2°
C14	C19	C20	120.6°	120.2°
C14	N13	C12	120.9°	120.0°
C14	N13	H6	119.6°	120.0°
C19	C20	N21	178.7°	180.0°
N13	C12	C22	121.0°	120.5°
N13	C12	N11	121.7°	120.5°
C12	N13	H6	119.5°	120.0°
C22	C12	N11	117.3°	119.0°
C12	C22	C23	120.7°	118.5°
C12	C22	H11	119.7°	120.8°
C12	N11	C10	121.0°	120.7°
C22	C23	N24	118.5°	119.3°
C23	C22	H11	119.6°	120.8°
C22	C23	H12	120.7°	120.3°
O01	C02	C03	122.3°	120.0°
O01	C02	O25	120.3°	120.0°
N11	C10	N24	122.5°	121.6°
N11	C10	N09	119.8°	119.2°
C07	C06	C03	120.9°	119.9°
C06	C07	C08	119.1°	120.1°
C07	C06	H3	119.5°	120.1°
C06	C07	H4	120.4°	119.9°
C06	C03	C02	122.6°	120.1°
C06	C03	C04	120.0°	119.8°
C03	C06	H3	119.5°	120.0°
C23	N24	C10	120.0°	120.9°
N24	C23	H12	120.7°	120.4°
C07	C08	N09	122.9°	119.9°
C07	C08	C05	119.4°	120.1°
C08	C07	H4	120.5°	119.9°
C03	C02	O25	117.4°	120.0°
C02	C03	C04	117.4°	120.1°
C02	O25	H13	109.5°	117.0°
C03	C04	C05	118.7°	119.9°
C03	C04	H1	120.7°	120.0°
N24	C10	N09	117.7°	119.2°
C10	N09	C08	124.1°	120.0°
C10	N09	H5	118.0°	120.0°
N09	C08	C05	117.8°	119.9°
C08	N09	H5	117.9°	120.0°
C08	C05	C04	121.8°	120.1°
C08	C05	H2	119.1°	120.0°
C05	C04	H1	120.6°	120.1°
C04	C05	H2	119.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C16	C15	H8	180.0°	180.0°
C16	C17	C18	H9	180.0°	179.9°
C17	C16	C15	C14	0.2°	0.0°
C16	C17	C18	C19	0.4°	0.0°
C17	C16	C15	H7	179.8°	179.9°
C16	C17	C18	H10	179.6°	180.0°
C15	C16	C17	C18	0.3°	0.0°
C16	C15	C14	H7	180.0°	179.9°
C16	C15	C14	C19	0.1°	0.0°
C16	C15	C14	N13	179.9°	179.7°
C15	C16	C17	H9	179.7°	179.9°
C17	C18	C19	H10	180.0°	179.9°
C17	C18	C19	C14	0.4°	0.1°
C17	C18	C19	C20	179.6°	179.7°
C18	C17	C16	H8	179.7°	180.0°
C15	C14	C19	C18	0.2°	0.1°
C15	C14	C19	N13	179.8°	179.7°
C15	C14	C19	C20	179.8°	179.7°
C15	C14	N13	C12	60.8°	28.2°
C15	C14	N13	H6	119.2°	151.9°
C14	C15	C16	H8	179.8°	180.0°
C18	C19	C14	C20	180.0°	179.7°
C18	C19	C14	N13	180.0°	179.8°
C18	C19	C20	N21	4.8°	125.1°
C19	C18	C17	H9	179.6°	180.0°
C19	C14	N13	C12	119.4°	151.5°
C14	C19	C20	N21	175.2°	55.1°
C19	C14	N13	H6	60.7°	28.4°
C19	C14	C15	H7	179.9°	180.0°
C14	C19	C18	H10	179.6°	180.0°
N13	C14	C19	C20	0.0°	0.0°
C14	N13	C12	H6	180.0°	180.0°
C14	N13	C12	C22	176.9°	175.6°
C14	N13	C12	N11	3.1°	4.5°
N13	C14	C15	H7	0.1°	0.3°
C20	C19	C18	H10	0.4°	0.2°
N13	C12	C22	N11	180.0°	179.9°
N13	C12	C22	C23	179.7°	180.0°
N13	C12	N11	C10	179.9°	180.0°
N13	C12	C22	H11	0.3°	0.0°
C12	C22	C23	H11	180.0°	180.0°
C22	C12	N11	C10	0.1°	0.1°
C12	C22	C23	N24	0.4°	0.0°
C22	C12	N13	H6	3.1°	4.5°
C12	C22	C23	H12	179.6°	179.9°
N11	C12	C22	C23	0.3°	0.0°
C12	N11	C10	N24	0.5°	0.1°
C12	N11	C10	N09	179.6°	179.8°
N11	C12	N13	H6	176.9°	175.5°
N11	C12	C22	H11	179.7°	179.9°
C22	C23	N24	H12	180.0°	179.9°
C22	C23	N24	C10	0.1°	0.0°
O01	C02	C03	C06	5.4°	179.7°
O01	C02	C03	O25	178.4°	179.7°
O01	C02	C03	C04	173.4°	0.0°
O01	C02	O25	H13	0.0°	0.0°
N11	C10	N24	C23	0.4°	0.1°
N11	C10	N24	N09	179.1°	179.7°
N11	C10	N09	C08	27.6°	174.0°
N11	C10	N09	H5	152.4°	6.0°
C07	C06	C03	H3	180.0°	179.9°
C06	C07	C08	H4	180.0°	180.0°
C07	C06	C03	C02	179.4°	180.0°
C07	C06	C03	C04	0.7°	0.2°
C06	C07	C08	N09	179.6°	179.9°
C06	C07	C08	C05	0.4°	0.2°
C03	C06	C07	C08	0.5°	0.0°
C06	C03	C02	C04	178.8°	179.7°
C06	C03	C02	O25	176.2°	0.0°
C06	C03	C04	C05	0.8°	0.3°
C06	C03	C04	H1	179.2°	179.8°
C03	C06	C07	H4	179.5°	180.0°
C23	N24	C10	N09	179.5°	179.8°
N24	C23	C22	H11	179.5°	180.0°
C07	C08	N09	C10	20.1°	41.1°
C07	C08	N09	C05	179.1°	179.9°
C07	C08	C05	C04	0.6°	0.2°
C07	C08	C05	H2	179.4°	179.8°
C08	C07	C06	H3	179.5°	179.9°
C07	C08	N09	H5	159.9°	139.0°
C02	C03	C04	C05	179.6°	180.0°
C02	C03	C04	H1	0.4°	0.1°
C02	C03	C06	H3	0.6°	0.0°
C03	C02	O25	H13	178.4°	179.7°
O25	C02	C03	C04	5.0°	179.7°
C03	C04	C05	C08	0.8°	0.0°
C03	C04	C05	H1	180.0°	180.0°
C03	C04	C05	H2	179.2°	180.0°
C04	C03	C06	H3	179.3°	179.7°
N24	C10	N09	C08	153.3°	6.3°
N24	C10	N09	H5	26.7°	173.7°
C10	N24	C23	H12	179.9°	179.9°
C10	N09	C08	H5	180.0°	179.9°
C10	N09	C08	C05	160.7°	138.8°
N09	C08	C05	C04	179.8°	179.9°
N09	C08	C05	H2	0.2°	0.1°
N09	C08	C07	H4	0.4°	0.1°
C08	C05	C04	H2	180.0°	180.0°
C08	C05	C04	H1	179.2°	180.0°
C05	C08	C07	H4	179.5°	179.7°
C05	C08	N09	H5	19.3°	41.1°
H1	C04	C05	H2	0.8°	0.0°
H3	C06	C07	H4	0.5°	0.0°
H7	C15	C16	H8	0.1°	0.0°
H8	C16	C17	H9	0.3°	0.0°
H9	C17	C18	H10	0.4°	0.1°
H11	C22	C23	H12	0.5°	0.1°

Definition date:	2011-11-29
Last modified:	2012-01-20
Release status:	REL
Processing site:	RCSB
Derived from:	3UOJ