RU8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C06	doub	0.00Å	1.41Å	Aromatic
C01	C02	sing	0.00Å	1.40Å	Aromatic
C01	H01	sing	0.00Å	1.08Å
C02	C11	doub	0.00Å	1.41Å	Aromatic
C03	C02	sing	0.00Å	1.42Å	Aromatic
C03	C05	doub	0.00Å	1.42Å	Aromatic
C03	H03	sing	0.00Å	1.08Å
C05	C21	sing	0.00Å	1.43Å	Aromatic
C06	C08	sing	0.00Å	1.41Å	Aromatic
C06	H06	sing	0.00Å	1.08Å
C08	N10	doub	0.00Å	1.29Å	Aromatic
C08	H08	sing	0.00Å	1.08Å
N10	RU1	sing	0.00Å	2.08Å
C11	N10	sing	0.00Å	1.32Å	Aromatic
C11	C14	sing	0.00Å	1.52Å	Aromatic
RU1	N34	sing	0.00Å	2.06Å
RU1	N41	sing	0.00Å	2.06Å
RU1	N22	sing	0.00Å	2.05Å
N13	RU1	sing	0.00Å	2.10Å
N13	C15	doub	0.00Å	1.30Å	Aromatic
C14	N13	sing	0.00Å	1.31Å	Aromatic
C15	H15	sing	0.00Å	1.08Å
C17	C15	sing	0.00Å	1.30Å	Aromatic
C17	H17	sing	0.00Å	1.08Å
C19	C17	doub	0.00Å	1.41Å	Aromatic
C19	H19	sing	0.00Å	1.08Å
C21	C14	doub	0.00Å	1.42Å	Aromatic
C21	C19	sing	0.00Å	1.40Å	Aromatic
N22	C23	sing	0.00Å	1.30Å	Aromatic
C23	C24	doub	0.00Å	1.40Å	Aromatic
C23	H23	sing	0.00Å	1.08Å
C24	H24	sing	0.00Å	1.08Å
C25	C24	sing	0.00Å	1.41Å	Aromatic
C25	H25	sing	0.00Å	1.08Å
C26	C25	doub	0.00Å	1.40Å	Aromatic
C26	H26	sing	0.00Å	1.08Å
C27	N22	doub	0.00Å	1.31Å	Aromatic
C27	C26	sing	0.00Å	1.40Å	Aromatic
C28	C27	sing	0.00Å	1.44Å	Aromatic
C29	C28	sing	0.00Å	1.40Å	Aromatic
C29	H29	sing	0.00Å	1.08Å
C30	C29	doub	0.00Å	1.39Å	Aromatic
C30	H30	sing	0.00Å	1.08Å
C31	C30	sing	0.00Å	1.39Å	Aromatic
C31	C32	doub	0.00Å	1.39Å	Aromatic
C31	H31	sing	0.00Å	1.08Å
C32	N33	sing	0.00Å	1.27Å	Aromatic
C32	H32	sing	0.00Å	1.08Å
N33	RU1	sing	0.00Å	2.05Å
N33	C28	doub	0.00Å	1.31Å	Aromatic
N34	C39	sing	0.00Å	1.32Å	Aromatic
C35	N34	doub	0.00Å	1.29Å	Aromatic
C35	C36	sing	0.00Å	1.39Å	Aromatic
C35	H35	sing	0.00Å	1.08Å
C36	C37	doub	0.00Å	1.39Å	Aromatic
C36	H36	sing	0.00Å	1.08Å
C37	C38	sing	0.00Å	1.40Å	Aromatic
C37	H37	sing	0.00Å	1.08Å
C38	H38	sing	0.00Å	1.08Å
C39	C38	doub	0.00Å	1.40Å	Aromatic
C39	C40	sing	0.00Å	1.43Å	Aromatic
C40	C42	sing	0.00Å	1.41Å	Aromatic
N41	C40	doub	0.00Å	1.31Å	Aromatic
N41	C45	sing	0.00Å	1.29Å	Aromatic
C42	C43	doub	0.00Å	1.40Å	Aromatic
C42	H42	sing	0.00Å	1.08Å
C43	H43	sing	0.00Å	1.08Å
C44	C43	sing	0.00Å	1.40Å	Aromatic
C44	H44	sing	0.00Å	1.08Å
C45	C44	doub	0.00Å	1.41Å	Aromatic
C45	H45	sing	0.00Å	1.08Å
N46	C05	sing	0.00Å	1.32Å
N46	HN46	sing	0.00Å	1.00Å
C47	N46	sing	0.00Å	1.31Å
C47	O48	doub	0.00Å	1.33Å
C49	C47	sing	0.00Å	1.42Å
C49	I1	sing	0.00Å	2.10Å
C49	H49	sing	0.00Å	1.10Å
C49	H49A	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C01	C02	117.6°	90.0°
C06	C01	H01	121.2°	90.0°
C01	C06	C08	121.0°	90.0°
C01	C06	H06	119.5°	90.0°
C02	C01	H01	121.2°	90.0°
C01	C02	C11	116.6°	90.0°
C01	C02	C03	122.5°	90.0°
C11	C02	C03	120.9°	90.0°
C02	C11	N10	123.3°	90.0°
C02	C11	C14	116.8°	90.0°
C02	C03	C05	123.4°	90.0°
C02	C03	H03	118.3°	90.0°
C05	C03	H03	118.3°	90.0°
C03	C05	C21	117.5°	90.0°
C03	C05	N46	117.9°	90.0°
C05	C21	C14	121.3°	90.0°
C05	C21	C19	124.0°	90.0°
C21	C05	N46	124.6°	90.0°
C08	C06	H06	119.5°	90.0°
C06	C08	N10	119.4°	90.0°
C06	C08	H08	120.3°	90.0°
N10	C08	H08	120.3°	90.0°
C08	N10	RU1	129.0°	90.0°
C08	N10	C11	122.2°	90.0°
RU1	N10	C11	108.8°	90.0°
N10	RU1	N34	95.2°	90.0°
N10	RU1	N41	84.8°	90.0°
N10	RU1	N22	178.3°	90.0°
N10	RU1	N13	83.7°	90.0°
N10	RU1	N33	96.3°	90.0°
N10	C11	C14	119.9°	90.0°
C11	C14	N13	117.7°	90.0°
C11	C14	C21	120.2°	90.0°
N34	RU1	N41	82.9°	90.0°
N34	RU1	N22	86.4°	90.0°
N34	RU1	N13	178.5°	90.0°
N34	RU1	N33	95.7°	90.0°
RU1	N34	C39	108.6°	90.0°
RU1	N34	C35	126.0°	90.0°
N41	RU1	N22	96.1°	90.0°
N41	RU1	N13	95.9°	90.0°
N41	RU1	N33	178.4°	90.0°
RU1	N41	C40	109.0°	90.0°
RU1	N41	C45	127.3°	90.0°
N22	RU1	N13	94.7°	90.0°
RU1	N22	C23	124.9°	90.0°
RU1	N22	C27	109.3°	90.0°
N22	RU1	N33	82.8°	90.0°
RU1	N13	C15	127.7°	90.0°
RU1	N13	C14	109.9°	90.0°
N13	RU1	N33	85.5°	90.0°
C15	N13	C14	122.3°	90.0°
N13	C15	H15	119.6°	90.0°
N13	C15	C17	120.7°	90.0°
N13	C14	C21	122.1°	90.0°
H15	C15	C17	119.6°	90.0°
C15	C17	H17	119.2°	90.0°
C15	C17	C19	121.7°	90.0°
H17	C17	C19	119.2°	90.0°
C17	C19	H19	120.8°	90.0°
C17	C19	C21	118.4°	90.0°
H19	C19	C21	120.8°	90.0°
C14	C21	C19	114.7°	90.0°
N22	C23	C24	119.6°	90.0°
N22	C23	H23	120.2°	90.0°
C23	N22	C27	125.6°	90.0°
C24	C23	H23	120.2°	90.0°
C23	C24	H24	120.9°	90.0°
C23	C24	C25	118.1°	90.0°
H24	C24	C25	121.0°	90.0°
C24	C25	H25	120.5°	90.0°
C24	C25	C26	119.1°	90.0°
H25	C25	C26	120.5°	90.0°
C25	C26	H26	120.7°	90.0°
C25	C26	C27	118.6°	90.0°
H26	C26	C27	120.7°	90.0°
N22	C27	C26	118.9°	90.0°
N22	C27	C28	119.1°	90.0°
C26	C27	C28	122.0°	90.0°
C27	C28	C29	120.8°	90.0°
C27	C28	N33	119.4°	90.0°
C28	C29	H29	121.0°	90.0°
C28	C29	C30	117.9°	90.0°
C29	C28	N33	119.8°	90.0°
H29	C29	C30	121.0°	90.0°
C29	C30	H30	120.7°	90.0°
C29	C30	C31	118.7°	90.0°
H30	C30	C31	120.7°	90.0°
C30	C31	C32	119.0°	90.0°
C30	C31	H31	120.5°	90.0°
C32	C31	H31	120.5°	90.0°
C31	C32	N33	119.4°	90.0°
C31	C32	H32	120.3°	90.0°
N33	C32	H32	120.3°	90.0°
C32	N33	RU1	125.5°	90.0°
C32	N33	C28	125.1°	90.0°
RU1	N33	C28	109.3°	90.0°
C39	N34	C35	125.3°	90.0°
N34	C39	C38	119.3°	90.0°
N34	C39	C40	119.9°	90.0°
N34	C35	C36	118.9°	90.0°
N34	C35	H35	120.6°	90.0°
C36	C35	H35	120.5°	90.0°
C35	C36	C37	119.3°	90.0°
C35	C36	H36	120.4°	90.0°
C37	C36	H36	120.4°	90.0°
C36	C37	C38	119.1°	90.0°
C36	C37	H37	120.4°	90.0°
C38	C37	H37	120.4°	90.0°
C37	C38	H38	121.0°	90.0°
C37	C38	C39	118.0°	90.0°
H38	C38	C39	121.0°	90.0°
C38	C39	C40	120.8°	90.0°
C39	C40	C42	120.8°	90.0°
C39	C40	N41	119.6°	90.0°
C42	C40	N41	119.6°	90.0°
C40	C42	C43	119.5°	90.0°
C40	C42	H42	120.3°	90.0°
C40	N41	C45	123.6°	90.0°
N41	C45	C44	120.9°	90.0°
N41	C45	H45	119.6°	90.0°
C43	C42	H42	120.3°	90.0°
C42	C43	H43	121.1°	90.0°
C42	C43	C44	117.8°	90.0°
H43	C43	C44	121.1°	90.0°
C43	C44	H44	120.7°	90.0°
C43	C44	C45	118.6°	90.0°
H44	C44	C45	120.7°	90.0°
C44	C45	H45	119.6°	90.0°
C05	N46	HN46	115.5°	90.0°
C05	N46	C47	129.0°	90.0°
HN46	N46	C47	115.5°	90.0°
N46	C47	O48	122.2°	90.0°
N46	C47	C49	120.0°	90.0°
O48	C47	C49	117.7°	90.0°
C47	C49	I1	109.5°	90.0°
C47	C49	H49	109.5°	90.0°
C47	C49	H49A	109.5°	90.0°
I1	C49	H49	109.4°	90.0°
I1	C49	H49A	109.5°	90.0°
H49	C49	H49A	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C01	C02	H01	180.0°	90.0°
C06	C01	C02	C11	0.5°	90.0°
C06	C01	C02	C03	179.1°	90.0°
C01	C06	C08	H06	180.0°	90.0°
C01	C06	C08	N10	0.7°	90.0°
C01	C06	C08	H08	179.3°	90.0°
C01	C02	C11	C03	179.6°	90.0°
C01	C02	C03	C05	179.7°	90.0°
C01	C02	C03	H03	0.3°	90.0°
C02	C01	C06	C08	0.6°	90.0°
C02	C01	C06	H06	179.4°	90.0°
C01	C02	C11	N10	0.6°	90.0°
C01	C02	C11	C14	179.9°	90.0°
H01	C01	C02	C11	179.5°	90.0°
H01	C01	C02	C03	0.9°	90.0°
H01	C01	C06	C08	179.4°	90.0°
H01	C01	C06	H06	0.7°	90.0°
C11	C02	C03	C05	0.7°	90.0°
C11	C02	C03	H03	179.3°	90.0°
C02	C11	N10	C08	0.7°	90.0°
C02	C11	N10	RU1	179.8°	90.0°
C02	C11	N10	C14	179.3°	90.0°
C02	C11	C14	N13	179.0°	90.0°
C02	C11	C14	C21	0.0°	90.0°
C02	C03	C05	H03	180.0°	90.0°
C02	C03	C05	C21	0.8°	90.0°
C03	C02	C11	N10	179.0°	90.0°
C03	C02	C11	C14	0.2°	90.0°
C02	C03	C05	N46	179.8°	90.0°
C03	C05	C21	N46	178.9°	90.0°
C03	C05	C21	C14	0.5°	90.0°
C03	C05	C21	C19	179.5°	90.0°
C03	C05	N46	HN46	61.6°	90.0°
C03	C05	N46	C47	118.4°	90.0°
H03	C03	C05	C21	179.2°	90.0°
H03	C03	C05	N46	0.2°	90.0°
C05	C21	C14	C11	0.1°	90.0°
C05	C21	C14	N13	178.7°	90.0°
C05	C21	C19	C17	180.0°	90.0°
C05	C21	C19	H19	0.0°	90.0°
C05	C21	C14	C19	180.0°	90.0°
C21	C05	N46	HN46	117.3°	90.0°
C21	C05	N46	C47	62.7°	90.0°
C06	C08	N10	H08	180.0°	90.0°
C06	C08	N10	RU1	179.6°	90.0°
C06	C08	N10	C11	0.8°	90.0°
H06	C06	C08	N10	179.3°	90.0°
H06	C06	C08	H08	0.7°	90.0°
C08	N10	RU1	C11	179.0°	90.0°
C08	N10	C11	C14	180.0°	90.0°
C08	N10	RU1	N34	2.0°	90.0°
C08	N10	RU1	N41	84.4°	90.0°
C08	N10	RU1	N22	155.7°	90.0°
C08	N10	RU1	N13	179.1°	90.0°
C08	N10	RU1	N33	94.4°	90.0°
H08	C08	N10	RU1	0.4°	90.0°
H08	C08	N10	C11	179.3°	90.0°
RU1	N10	C11	C14	1.0°	90.0°
N10	RU1	N34	N41	84.1°	90.0°
N10	RU1	N34	N22	179.3°	90.0°
N10	RU1	N34	N13	45.8°	90.0°
N10	RU1	N34	N33	96.9°	90.0°
N10	RU1	N41	N22	178.5°	90.0°
N10	RU1	N41	N13	83.1°	90.0°
N10	RU1	N41	N33	132.5°	90.0°
N10	RU1	N22	N13	23.4°	90.0°
N10	RU1	N22	N33	61.4°	90.0°
N10	RU1	N13	N33	96.9°	90.0°
N10	RU1	N13	C15	177.8°	90.0°
N10	RU1	N13	C14	0.7°	90.0°
N10	RU1	N22	C23	114.4°	90.0°
N10	RU1	N22	C27	59.9°	90.0°
N10	RU1	N33	C32	5.8°	90.0°
N10	RU1	N33	C28	178.6°	90.0°
N10	RU1	N34	C39	84.1°	90.0°
N10	RU1	N34	C35	93.1°	90.0°
N10	RU1	N41	C40	96.8°	90.0°
N10	RU1	N41	C45	85.9°	90.0°
C11	N10	RU1	N34	179.1°	90.0°
C11	N10	RU1	N41	96.7°	90.0°
C11	N10	RU1	N22	23.3°	90.0°
C11	N10	RU1	N13	0.2°	90.0°
N10	C11	C14	N13	1.7°	90.0°
N10	C11	C14	C21	179.3°	90.0°
C11	N10	RU1	N33	84.6°	90.0°
C11	C14	N13	RU1	1.4°	90.0°
C11	C14	N13	C15	178.7°	90.0°
C11	C14	N13	C21	178.9°	90.0°
C11	C14	C21	C19	179.9°	90.0°
N34	RU1	N41	N22	85.6°	90.0°
N34	RU1	N41	N13	179.0°	90.0°
N34	RU1	N41	N33	36.5°	90.0°
N34	RU1	N22	N13	178.9°	90.0°
N34	RU1	N22	N33	96.3°	90.0°
N34	RU1	N13	N33	142.8°	90.0°
N34	RU1	N13	C15	131.9°	90.0°
N34	RU1	N13	C14	45.2°	90.0°
N34	RU1	N22	C23	88.0°	90.0°
N34	RU1	N22	C27	97.8°	90.0°
N34	RU1	N33	C32	90.1°	90.0°
N34	RU1	N33	C28	85.5°	90.0°
RU1	N34	C39	C35	177.3°	90.0°
RU1	N34	C35	C36	179.5°	90.0°
RU1	N34	C35	H35	0.5°	90.0°
RU1	N34	C39	C38	179.8°	90.0°
RU1	N34	C39	C40	0.7°	90.0°
N34	RU1	N41	C40	0.8°	90.0°
N34	RU1	N41	C45	178.1°	90.0°
N41	RU1	N22	N13	96.4°	90.0°
N41	RU1	N22	N33	178.7°	90.0°
N41	RU1	N13	N33	179.0°	90.0°
N41	RU1	N13	C15	93.7°	90.0°
N41	RU1	N13	C14	83.3°	90.0°
N41	RU1	N22	C23	5.5°	90.0°
N41	RU1	N22	C27	179.7°	90.0°
N41	RU1	N33	C32	126.6°	90.0°
N41	RU1	N33	C28	49.0°	90.0°
N41	RU1	N34	C39	0.1°	90.0°
N41	RU1	N34	C35	177.2°	90.0°
RU1	N41	C40	C39	1.5°	90.0°
RU1	N41	C40	C42	179.3°	90.0°
RU1	N41	C40	C45	177.4°	90.0°
RU1	N41	C45	C44	179.0°	90.0°
RU1	N41	C45	H45	1.1°	90.0°
N22	RU1	N13	N33	82.4°	90.0°
N22	RU1	N13	C15	2.9°	90.0°
N22	RU1	N13	C14	180.0°	90.0°
RU1	N22	C23	C27	173.3°	90.0°
RU1	N22	C23	C24	178.0°	90.0°
RU1	N22	C23	H23	2.0°	90.0°
RU1	N22	C27	C26	178.8°	90.0°
RU1	N22	C27	C28	2.9°	90.0°
N22	RU1	N33	C32	175.8°	90.0°
N22	RU1	N33	C28	0.2°	90.0°
N22	RU1	N34	C39	96.5°	90.0°
N22	RU1	N34	C35	86.2°	90.0°
N22	RU1	N41	C40	84.8°	90.0°
N22	RU1	N41	C45	92.5°	90.0°
RU1	N13	C15	C14	176.7°	90.0°
RU1	N13	C15	H15	1.0°	90.0°
RU1	N13	C15	C17	179.0°	90.0°
RU1	N13	C14	C21	179.7°	90.0°
N13	RU1	N22	C23	91.0°	90.0°
N13	RU1	N22	C27	83.3°	90.0°
N13	RU1	N33	C32	88.9°	90.0°
N13	RU1	N33	C28	95.5°	90.0°
N13	RU1	N34	C39	38.3°	90.0°
N13	RU1	N34	C35	138.9°	90.0°
N13	RU1	N41	C40	179.9°	90.0°
N13	RU1	N41	C45	2.8°	90.0°
N13	C15	H15	C17	180.0°	90.0°
N13	C15	C17	H17	179.0°	90.0°
N13	C15	C17	C19	1.0°	90.0°
C15	N13	C14	C21	2.4°	90.0°
C15	N13	RU1	N33	85.3°	90.0°
C14	N13	C15	H15	177.8°	90.0°
C14	N13	C15	C17	2.3°	90.0°
N13	C14	C21	C19	1.2°	90.0°
C14	N13	RU1	N33	97.6°	90.0°
H15	C15	C17	H17	0.9°	90.0°
H15	C15	C17	C19	179.1°	90.0°
C15	C17	H17	C19	180.0°	90.0°
C15	C17	C19	H19	179.8°	90.0°
C15	C17	C19	C21	0.2°	90.0°
H17	C17	C19	H19	0.2°	90.0°
H17	C17	C19	C21	179.9°	90.0°
C17	C19	H19	C21	180.0°	90.0°
C17	C19	C21	C14	0.0°	90.0°
H19	C19	C21	C14	180.0°	90.0°
C14	C21	C05	N46	179.4°	90.0°
C19	C21	C05	N46	0.6°	90.0°
N22	C23	C24	H23	180.0°	90.0°
N22	C23	C24	H24	177.6°	90.0°
N22	C23	C24	C25	2.3°	90.0°
C23	N22	C27	C26	4.6°	90.0°
C23	N22	C27	C28	177.2°	90.0°
C23	N22	RU1	N33	175.8°	90.0°
C23	C24	H24	C25	180.0°	90.0°
C23	C24	C25	H25	179.6°	90.0°
C23	C24	C25	C26	0.4°	90.0°
C24	C23	N22	C27	4.6°	90.0°
H23	C23	C24	H24	2.3°	90.0°
H23	C23	C24	C25	177.7°	90.0°
H23	C23	N22	C27	175.4°	90.0°
H24	C24	C25	H25	0.4°	90.0°
H24	C24	C25	C26	179.6°	90.0°
C24	C25	H25	C26	180.0°	90.0°
C24	C25	C26	H26	179.6°	90.0°
C24	C25	C26	C27	0.4°	90.0°
H25	C25	C26	H26	0.4°	90.0°
H25	C25	C26	C27	179.6°	90.0°
C25	C26	H26	C27	180.0°	90.0°
C25	C26	C27	N22	2.3°	90.0°
C25	C26	C27	C28	179.5°	90.0°
H26	C26	C27	N22	177.7°	90.0°
H26	C26	C27	C28	0.5°	90.0°
N22	C27	C26	C28	178.2°	90.0°
N22	C27	C28	C29	178.2°	90.0°
C27	N22	RU1	N33	1.5°	90.0°
N22	C27	C28	N33	3.4°	90.0°
C26	C27	C28	C29	0.0°	90.0°
C26	C27	C28	N33	178.4°	90.0°
C27	C28	C29	N33	178.4°	90.0°
C27	C28	C29	H29	0.3°	90.0°
C27	C28	C29	C30	179.7°	90.0°
C27	C28	N33	C32	177.4°	90.0°
C27	C28	N33	RU1	1.8°	90.0°
C28	C29	H29	C30	180.0°	90.0°
C28	C29	C30	H30	179.9°	90.0°
C28	C29	C30	C31	0.1°	90.0°
C29	C28	N33	C32	4.2°	90.0°
C29	C28	N33	RU1	179.8°	90.0°
H29	C29	C30	H30	0.2°	90.0°
H29	C29	C30	C31	179.9°	90.0°
H29	C29	C28	N33	178.1°	90.0°
C29	C30	H30	C31	180.0°	90.0°
C29	C30	C31	C32	0.3°	90.0°
C29	C30	C31	H31	179.7°	90.0°
C30	C29	C28	N33	1.9°	90.0°
H30	C30	C31	C32	179.7°	90.0°
H30	C30	C31	H31	0.3°	90.0°
C30	C31	C32	H31	180.0°	90.0°
C30	C31	C32	N33	1.7°	90.0°
C30	C31	C32	H32	178.4°	90.0°
C31	C32	N33	H32	180.0°	90.0°
C31	C32	N33	RU1	178.9°	90.0°
C31	C32	N33	C28	4.0°	90.0°
H31	C31	C32	N33	178.3°	90.0°
H31	C31	C32	H32	1.7°	90.0°
C32	N33	RU1	C28	175.6°	90.0°
H32	C32	N33	RU1	1.1°	90.0°
H32	C32	N33	C28	176.0°	90.0°
N33	RU1	N34	C39	179.0°	90.0°
N33	RU1	N34	C35	3.8°	90.0°
N33	RU1	N41	C40	35.7°	90.0°
N33	RU1	N41	C45	141.6°	90.0°
C39	N34	C35	C36	2.7°	90.0°
C39	N34	C35	H35	177.3°	90.0°
N34	C39	C38	C37	1.4°	90.0°
N34	C39	C38	H38	178.6°	90.0°
N34	C39	C38	C40	179.1°	90.0°
N34	C39	C40	C42	179.2°	90.0°
N34	C39	C40	N41	1.6°	90.0°
N34	C35	C36	H35	180.0°	90.0°
N34	C35	C36	C37	1.1°	90.0°
N34	C35	C36	H36	179.0°	90.0°
C35	N34	C39	C38	2.9°	90.0°
C35	N34	C39	C40	178.0°	90.0°
C35	C36	C37	H36	180.0°	90.0°
C35	C36	C37	C38	0.2°	90.0°
C35	C36	C37	H37	179.8°	90.0°
H35	C35	C36	C37	179.0°	90.0°
H35	C35	C36	H36	1.0°	90.0°
C36	C37	C38	H37	180.0°	90.0°
C36	C37	C38	H38	179.9°	90.0°
C36	C37	C38	C39	0.0°	90.0°
H36	C36	C37	C38	179.7°	90.0°
H36	C36	C37	H37	0.3°	90.0°
C37	C38	H38	C39	180.0°	90.0°
C37	C38	C39	C40	179.5°	90.0°
H37	C37	C38	H38	0.1°	90.0°
H37	C37	C38	C39	179.9°	90.0°
H38	C38	C39	C40	0.5°	90.0°
C38	C39	C40	C42	0.1°	90.0°
C38	C39	C40	N41	179.3°	90.0°
C39	C40	C42	N41	179.2°	90.0°
C39	C40	N41	C45	178.9°	90.0°
C39	C40	C42	C43	179.8°	90.0°
C39	C40	C42	H42	0.2°	90.0°
C42	C40	N41	C45	1.9°	90.0°
C40	C42	C43	H42	180.0°	90.0°
C40	C42	C43	H43	179.6°	90.0°
C40	C42	C43	C44	0.4°	90.0°
N41	C40	C42	C43	0.6°	90.0°
N41	C40	C42	H42	179.4°	90.0°
C40	N41	C45	C44	2.0°	90.0°
C40	N41	C45	H45	178.0°	90.0°
N41	C45	C44	C43	0.9°	90.0°
N41	C45	C44	H44	179.1°	90.0°
N41	C45	C44	H45	180.0°	90.0°
C42	C43	H43	C44	180.0°	90.0°
C42	C43	C44	H44	179.7°	90.0°
C42	C43	C44	C45	0.3°	90.0°
H42	C42	C43	H43	0.4°	90.0°
H42	C42	C43	C44	179.6°	90.0°
H43	C43	C44	H44	0.3°	90.0°
H43	C43	C44	C45	179.8°	90.0°
C43	C44	H44	C45	180.0°	90.0°
C43	C44	C45	H45	179.1°	90.0°
H44	C44	C45	H45	0.9°	90.0°
C05	N46	HN46	C47	180.0°	90.0°
C05	N46	C47	O48	2.3°	90.0°
C05	N46	C47	C49	179.7°	90.0°
HN46	N46	C47	O48	177.7°	90.0°
HN46	N46	C47	C49	0.3°	90.0°
N46	C47	O48	C49	178.0°	90.0°
N46	C47	C49	I1	178.1°	90.0°
N46	C47	C49	H49	61.9°	90.0°
N46	C47	C49	H49A	58.0°	90.0°
O48	C47	C49	I1	0.0°	90.0°
O48	C47	C49	H49	120.0°	90.0°
O48	C47	C49	H49A	120.0°	90.0°
C47	C49	I1	H49	120.0°	90.0°
C47	C49	I1	H49A	120.0°	90.0°
C47	C49	H49	H49A	120.0°	90.0°
I1	C49	H49	H49A	120.0°	90.0°

Definition date:	2010-07-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB