X8P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C30	C31	doub	0.00Å	1.40Å	Aromatic
C30	C29	sing	0.00Å	1.40Å	Aromatic
C31	C26	sing	0.00Å	1.40Å	Aromatic
C29	N28	doub	0.00Å	1.35Å	Aromatic
C26	C25	sing	0.00Å	1.55Å
C26	C27	doub	0.00Å	1.40Å	Aromatic
C25	C24	sing	0.00Å	1.55Å
C65	C63	sing	0.00Å	1.54Å
N28	C27	sing	0.00Å	1.35Å	Aromatic
N28	RU71	sing	0.00Å	2.12Å
C49	C47	doub	0.00Å	1.39Å	Aromatic
C49	C46	sing	0.00Å	1.40Å	Aromatic
C47	C45	sing	0.00Å	1.40Å	Aromatic
C40	C39	doub	0.00Å	1.40Å	Aromatic
C40	C43	sing	0.00Å	1.40Å	Aromatic
C46	C48	doub	0.00Å	1.40Å	Aromatic
C24	C23	sing	0.00Å	1.55Å
C39	C41	sing	0.00Å	1.40Å	Aromatic
C45	C43	sing	0.00Å	1.39Å
C45	N67	doub	0.00Å	1.35Å	Aromatic
C63	C61	doub	0.00Å	1.40Å	Aromatic
C63	N70	sing	0.00Å	1.36Å	Aromatic
C43	N66	doub	0.00Å	1.33Å	Aromatic
C23	N22	sing	0.00Å	1.47Å
C48	N67	sing	0.00Å	1.34Å	Aromatic
N67	RU71	sing	0.00Å	2.06Å
C41	C42	doub	0.00Å	1.40Å	Aromatic
C61	C64	sing	0.00Å	1.39Å	Aromatic
N66	C42	sing	0.00Å	1.33Å	Aromatic
N66	RU71	sing	0.00Å	2.01Å
C42	C44	sing	0.00Å	1.39Å
C03	C02	sing	0.00Å	1.54Å
N70	RU71	sing	0.00Å	2.10Å
N70	C59	doub	0.00Å	1.35Å	Aromatic
RU71	N68	sing	0.00Å	2.13Å
RU71	N69	sing	0.00Å	1.98Å
C44	C51	doub	0.00Å	1.40Å	Aromatic
C44	N68	sing	0.00Å	1.34Å	Aromatic
C01	C02	sing	0.00Å	1.54Å
C51	C52	sing	0.00Å	1.39Å	Aromatic
N68	C53	doub	0.00Å	1.35Å	Aromatic
N22	C20	sing	0.00Å	1.47Å
C04	C02	sing	0.00Å	1.54Å
C02	O05	sing	0.00Å	1.44Å
C64	C62	doub	0.00Å	1.39Å	Aromatic
C52	C50	doub	0.00Å	1.40Å	Aromatic
O21	C20	doub	0.00Å	1.21Å
C53	C50	sing	0.00Å	1.40Å	Aromatic
C59	C62	sing	0.00Å	1.40Å	Aromatic
C59	C55	sing	0.00Å	1.39Å
C20	C12	sing	0.00Å	1.55Å
N69	C55	doub	0.00Å	1.34Å	Aromatic
N69	C56	sing	0.00Å	1.34Å	Aromatic
O05	C06	sing	0.00Å	1.37Å
C55	C58	sing	0.00Å	1.40Å	Aromatic
C12	S11	sing	0.00Å	1.82Å
C12	C13	sing	0.00Å	1.56Å
C60	C56	sing	0.00Å	1.54Å
O07	C06	doub	0.00Å	1.28Å
C56	C57	doub	0.00Å	1.40Å	Aromatic
S11	C10	sing	0.00Å	1.81Å
C19	C18	doub	0.00Å	1.40Å	Aromatic
C19	C14	sing	0.00Å	1.40Å	Aromatic
C06	N08	sing	0.00Å	1.49Å
C18	C17	sing	0.00Å	1.40Å	Aromatic
C58	C54	doub	0.00Å	1.40Å	Aromatic
C13	C14	sing	0.00Å	1.55Å
C14	C15	doub	0.00Å	1.40Å	Aromatic
C57	C54	sing	0.00Å	1.40Å	Aromatic
N08	C09	sing	0.00Å	1.51Å
C17	C16	doub	0.00Å	1.40Å	Aromatic
C10	C09	sing	0.00Å	1.54Å
C09	C32	sing	0.00Å	1.54Å
C15	C16	sing	0.00Å	1.40Å	Aromatic
C32	C33	sing	0.00Å	1.54Å
C38	C33	doub	0.00Å	1.40Å	Aromatic
C38	C37	sing	0.00Å	1.40Å	Aromatic
C33	C34	sing	0.00Å	1.40Å	Aromatic
C37	C36	doub	0.00Å	1.40Å	Aromatic
C34	C35	doub	0.00Å	1.40Å	Aromatic
C36	C35	sing	0.00Å	1.40Å	Aromatic
C10	H1	sing	0.00Å	1.10Å
C10	H2	sing	0.00Å	1.10Å
C12	H3	sing	0.00Å	1.10Å
C13	H4	sing	0.00Å	1.10Å
C13	H5	sing	0.00Å	1.10Å
C15	H6	sing	0.00Å	1.08Å
C16	H7	sing	0.00Å	1.08Å
C17	H8	sing	0.00Å	1.08Å
C18	H9	sing	0.00Å	1.08Å
C19	H10	sing	0.00Å	1.08Å
C23	H11	sing	0.00Å	1.10Å
C24	H12	sing	0.00Å	1.10Å
C25	H13	sing	0.00Å	1.10Å
C25	H14	sing	0.00Å	1.10Å
C27	H15	sing	0.00Å	1.08Å
C01	H16	sing	0.00Å	1.10Å
C01	H17	sing	0.00Å	1.10Å
C01	H18	sing	0.00Å	1.10Å
C03	H19	sing	0.00Å	1.10Å
C03	H20	sing	0.00Å	1.10Å
C03	H21	sing	0.00Å	1.10Å
C04	H22	sing	0.00Å	1.10Å
C04	H23	sing	0.00Å	1.10Å
C04	H24	sing	0.00Å	1.10Å
C09	H25	sing	0.00Å	1.10Å
C29	H26	sing	0.00Å	1.08Å
C30	H27	sing	0.00Å	1.08Å
C31	H28	sing	0.00Å	1.08Å
C32	H29	sing	0.00Å	1.10Å
C32	H30	sing	0.00Å	1.10Å
C34	H31	sing	0.00Å	1.08Å
C35	H32	sing	0.00Å	1.08Å
C36	H33	sing	0.00Å	1.08Å
C37	H34	sing	0.00Å	1.08Å
C38	H35	sing	0.00Å	1.08Å
C39	H36	sing	0.00Å	1.08Å
C40	H37	sing	0.00Å	1.08Å
C41	H38	sing	0.00Å	1.08Å
C46	H39	sing	0.00Å	1.08Å
C47	H40	sing	0.00Å	1.08Å
C48	H41	sing	0.00Å	1.08Å
C49	H42	sing	0.00Å	1.08Å
C50	H43	sing	0.00Å	1.08Å
C51	H44	sing	0.00Å	1.08Å
C52	H45	sing	0.00Å	1.08Å
C53	H46	sing	0.00Å	1.08Å
C54	H47	sing	0.00Å	1.08Å
C57	H48	sing	0.00Å	1.08Å
C58	H49	sing	0.00Å	1.08Å
C60	H50	sing	0.00Å	1.10Å
C60	H51	sing	0.00Å	1.10Å
C60	H52	sing	0.00Å	1.10Å
C61	H53	sing	0.00Å	1.08Å
C62	H54	sing	0.00Å	1.08Å
C64	H55	sing	0.00Å	1.08Å
C65	H56	sing	0.00Å	1.10Å
C65	H57	sing	0.00Å	1.10Å
C65	H58	sing	0.00Å	1.10Å
N08	H59	sing	0.00Å	1.00Å
N22	H60	sing	0.00Å	1.00Å
C23	H61	sing	0.00Å	1.10Å
C24	H62	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C31	C30	C29	120.6°	90.0°
C30	C31	C26	119.0°	90.0°
C31	C30	H27	119.7°	90.0°
C30	C31	H28	120.5°	90.0°
C30	C29	N28	119.6°	90.0°
C30	C29	H26	120.2°	90.0°
C29	C30	H27	119.7°	90.0°
C31	C26	C25	120.7°	90.0°
C31	C26	C27	117.6°	90.0°
C26	C31	H28	120.5°	90.0°
C29	N28	C27	120.3°	90.0°
C29	N28	RU71	119.0°	90.0°
N28	C29	H26	120.2°	90.0°
C25	C26	C27	121.6°	90.0°
C26	C25	C24	120.7°	90.0°
C26	C25	H13	106.6°	90.0°
C26	C25	H14	106.6°	90.0°
C26	C27	N28	122.8°	90.0°
C26	C27	H15	118.6°	90.0°
C25	C24	C23	117.7°	90.0°
C25	C24	H12	107.4°	90.0°
C24	C25	H13	106.6°	90.0°
C24	C25	H14	106.6°	90.0°
C25	C24	H62	107.3°	90.0°
C65	C63	C61	104.5°	90.0°
C65	C63	N70	133.9°	90.0°
C63	C65	H56	109.5°	90.0°
C63	C65	H57	109.4°	90.0°
C63	C65	H58	109.5°	90.0°
C27	N28	RU71	120.6°	90.0°
N28	C27	H15	118.6°	90.0°
N28	RU71	N67	108.1°	90.0°
N28	RU71	N66	95.5°	90.0°
N28	RU71	N70	80.6°	90.0°
N28	RU71	N68	75.4°	90.0°
N28	RU71	N69	156.1°	90.0°
C47	C49	C46	117.7°	90.0°
C49	C47	C45	118.6°	90.0°
C49	C47	H40	120.7°	90.0°
C47	C49	H42	121.1°	90.0°
C49	C46	C48	120.2°	90.0°
C49	C46	H39	119.9°	90.0°
C46	C49	H42	121.1°	90.0°
C47	C45	C43	118.8°	90.0°
C47	C45	N67	123.7°	90.0°
C45	C47	H40	120.7°	90.0°
C39	C40	C43	119.2°	90.0°
C40	C39	C41	118.8°	90.0°
C40	C39	H36	120.6°	90.0°
C39	C40	H37	120.4°	90.0°
C40	C43	C45	127.3°	90.0°
C40	C43	N66	121.2°	90.0°
C43	C40	H37	120.4°	90.0°
C46	C48	N67	121.7°	90.0°
C48	C46	H39	119.9°	90.0°
C46	C48	H41	119.2°	90.0°
C24	C23	N22	123.3°	90.0°
C24	C23	H11	105.9°	90.0°
C23	C24	H12	107.4°	90.0°
C24	C23	H61	105.9°	90.0°
C23	C24	H62	107.4°	90.0°
C39	C41	C42	117.7°	90.0°
C41	C39	H36	120.6°	90.0°
C39	C41	H38	121.1°	90.0°
C43	C45	N67	117.5°	90.0°
C45	C43	N66	111.5°	90.0°
C45	N67	C48	118.0°	90.0°
C45	N67	RU71	114.7°	90.0°
C61	C63	N70	121.6°	90.0°
C63	C61	C64	120.1°	90.0°
C63	C61	H53	120.0°	90.0°
C63	N70	RU71	138.2°	90.0°
C63	N70	C59	118.5°	90.0°
C43	N66	C42	119.8°	90.0°
C43	N66	RU71	120.4°	90.0°
C23	N22	C20	121.9°	90.0°
N22	C23	H11	105.9°	90.0°
C23	N22	H60	119.0°	90.0°
N22	C23	H61	105.9°	90.0°
C48	N67	RU71	127.3°	90.0°
N67	C48	H41	119.2°	90.0°
N67	RU71	N66	75.9°	90.0°
N67	RU71	N70	88.1°	90.0°
N67	RU71	N68	151.0°	90.0°
N67	RU71	N69	91.3°	90.0°
C41	C42	N66	123.3°	90.0°
C41	C42	C44	121.5°	90.0°
C42	C41	H38	121.2°	90.0°
C61	C64	C62	117.8°	90.0°
C64	C61	H53	120.0°	90.0°
C61	C64	H55	121.1°	90.0°
C42	N66	RU71	119.8°	90.0°
N66	C42	C44	115.3°	90.0°
N66	RU71	N70	161.6°	90.0°
N66	RU71	N68	75.0°	90.0°
N66	RU71	N69	102.8°	90.0°
C42	C44	C51	118.9°	90.0°
C42	C44	N68	115.0°	90.0°
C03	C02	C01	108.9°	90.0°
C03	C02	C04	107.5°	90.0°
C03	C02	O05	109.4°	90.0°
C02	C03	H19	109.5°	90.0°
C02	C03	H20	109.5°	90.0°
C02	C03	H21	109.5°	90.0°
RU71	N70	C59	103.2°	90.0°
N70	RU71	N68	120.6°	90.0°
N70	RU71	N69	86.5°	90.0°
N70	C59	C62	122.3°	90.0°
N70	C59	C55	121.6°	90.0°
N68	RU71	N69	94.4°	90.0°
RU71	N68	C44	114.9°	90.0°
RU71	N68	C53	129.3°	90.0°
RU71	N69	C55	107.3°	90.0°
RU71	N69	C56	131.8°	90.0°
C51	C44	N68	126.1°	90.0°
C44	C51	C52	117.3°	90.0°
C44	C51	H44	121.4°	90.0°
C44	N68	C53	115.8°	90.0°
C01	C02	C04	109.1°	90.0°
C01	C02	O05	112.9°	90.0°
C02	C01	H16	109.5°	90.0°
C02	C01	H17	109.5°	90.0°
C02	C01	H18	109.5°	90.0°
C51	C52	C50	118.0°	90.0°
C52	C51	H44	121.3°	90.0°
C51	C52	H45	121.0°	90.0°
N68	C53	C50	122.7°	90.0°
N68	C53	H46	118.6°	90.0°
N22	C20	O21	120.3°	90.0°
N22	C20	C12	120.3°	90.0°
C20	N22	H60	119.1°	90.0°
C04	C02	O05	108.9°	90.0°
C02	C04	H22	109.5°	90.0°
C02	C04	H23	109.5°	90.0°
C02	C04	H24	109.5°	90.0°
C02	O05	C06	125.1°	90.0°
C64	C62	C59	119.7°	90.0°
C64	C62	H54	120.2°	90.0°
C62	C64	H55	121.1°	90.0°
C52	C50	C53	120.1°	90.0°
C52	C50	H43	120.0°	90.0°
C50	C52	H45	121.0°	90.0°
O21	C20	C12	119.4°	90.0°
C53	C50	H43	120.0°	90.0°
C50	C53	H46	118.6°	90.0°
C62	C59	C55	116.1°	90.0°
C59	C62	H54	120.1°	90.0°
C59	C55	N69	121.4°	90.0°
C59	C55	C58	117.6°	90.0°
C20	C12	S11	106.6°	90.0°
C20	C12	C13	117.5°	90.0°
C20	C12	H3	108.2°	90.0°
C55	N69	C56	120.9°	90.0°
N69	C55	C58	121.0°	90.0°
N69	C56	C60	124.2°	90.0°
N69	C56	C57	120.8°	90.0°
O05	C06	O07	123.0°	90.0°
O05	C06	N08	122.4°	90.0°
C55	C58	C54	119.5°	90.0°
C55	C58	H49	120.2°	90.0°
S11	C12	C13	110.3°	90.0°
C12	S11	C10	118.4°	90.0°
S11	C12	H3	105.4°	90.0°
C12	C13	C14	123.6°	90.0°
C13	C12	H3	108.1°	90.0°
C12	C13	H4	105.8°	90.0°
C12	C13	H5	105.8°	90.0°
C60	C56	C57	115.0°	90.0°
C56	C60	H50	109.5°	90.0°
C56	C60	H51	109.4°	90.0°
C56	C60	H52	109.5°	90.0°
O07	C06	N08	114.0°	90.0°
C56	C57	C54	119.7°	90.0°
C56	C57	H48	120.1°	90.0°
S11	C10	C09	108.9°	90.0°
S11	C10	H1	109.6°	90.0°
S11	C10	H2	109.6°	90.0°
C18	C19	C14	120.4°	90.0°
C19	C18	C17	120.2°	90.0°
C19	C18	H9	119.9°	90.0°
C18	C19	H10	119.8°	90.0°
C19	C14	C13	123.9°	90.0°
C19	C14	C15	119.1°	90.0°
C14	C19	H10	119.8°	90.0°
C06	N08	C09	115.9°	90.0°
C06	N08	H59	122.1°	90.0°
C18	C17	C16	119.7°	90.0°
C18	C17	H8	120.1°	90.0°
C17	C18	H9	119.9°	90.0°
C58	C54	C57	118.1°	90.0°
C58	C54	H47	121.0°	90.0°
C54	C58	H49	120.2°	90.0°
C13	C14	C15	117.0°	90.0°
C14	C13	H4	105.8°	90.0°
C14	C13	H5	105.8°	90.0°
C14	C15	C16	120.7°	90.0°
C14	C15	H6	119.7°	90.0°
C57	C54	H47	120.9°	90.0°
C54	C57	H48	120.1°	90.0°
N08	C09	C10	112.9°	90.0°
N08	C09	C32	109.2°	90.0°
N08	C09	H25	107.7°	90.0°
C09	N08	H59	122.0°	90.0°
C17	C16	C15	119.9°	90.0°
C17	C16	H7	120.0°	90.0°
C16	C17	H8	120.2°	90.0°
C10	C09	C32	112.1°	90.0°
C09	C10	H1	109.6°	90.0°
C09	C10	H2	109.6°	90.0°
C10	C09	H25	107.4°	90.0°
C09	C32	C33	116.6°	90.0°
C32	C09	H25	107.4°	90.0°
C09	C32	H29	107.7°	90.0°
C09	C32	H30	107.6°	90.0°
C16	C15	H6	119.6°	90.0°
C15	C16	H7	120.1°	90.0°
C32	C33	C38	119.6°	90.0°
C32	C33	C34	120.5°	90.0°
C33	C32	H29	107.7°	90.0°
C33	C32	H30	107.7°	90.0°
C33	C38	C37	120.2°	90.0°
C38	C33	C34	119.9°	90.0°
C33	C38	H35	119.9°	90.0°
C38	C37	C36	119.9°	90.0°
C38	C37	H34	120.0°	90.0°
C37	C38	H35	119.9°	90.0°
C33	C34	C35	119.9°	90.0°
C33	C34	H31	120.1°	90.0°
C37	C36	C35	119.9°	90.0°
C37	C36	H33	120.0°	90.0°
C36	C37	H34	120.0°	90.0°
C34	C35	C36	120.2°	90.0°
C35	C34	H31	120.1°	90.0°
C34	C35	H32	119.9°	90.0°
C36	C35	H32	119.9°	90.0°
C35	C36	H33	120.0°	90.0°
H1	C10	H2	109.5°	90.0°
H4	C13	H5	109.5°	90.0°
H11	C23	H61	109.5°	90.0°
H12	C24	H62	109.5°	90.0°
H13	C25	H14	109.5°	90.0°
H16	C01	H17	109.5°	90.0°
H16	C01	H18	109.5°	90.0°
H17	C01	H18	109.4°	90.0°
H19	C03	H20	109.5°	90.0°
H19	C03	H21	109.4°	90.0°
H20	C03	H21	109.5°	90.0°
H22	C04	H23	109.5°	90.0°
H22	C04	H24	109.5°	90.0°
H23	C04	H24	109.4°	90.0°
H29	C32	H30	109.4°	90.0°
H50	C60	H51	109.5°	90.0°
H50	C60	H52	109.5°	90.0°
H51	C60	H52	109.5°	90.0°
H56	C65	H57	109.5°	90.0°
H56	C65	H58	109.4°	90.0°
H57	C65	H58	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C31	C30	C29	H27	180.0°	90.0°
C30	C31	C26	H28	180.0°	90.0°
C31	C30	C29	N28	0.3°	90.0°
C30	C31	C26	C25	179.2°	90.0°
C30	C31	C26	C27	0.1°	90.0°
C31	C30	C29	H26	179.7°	90.0°
C29	C30	C31	C26	0.0°	90.0°
C30	C29	N28	H26	180.0°	90.0°
C30	C29	N28	C27	0.4°	90.0°
C30	C29	N28	RU71	179.4°	90.0°
C29	C30	C31	H28	180.0°	90.0°
C31	C26	C25	C27	179.1°	90.0°
C31	C26	C25	C24	167.0°	90.0°
C31	C26	C27	N28	0.1°	90.0°
C31	C26	C25	H13	45.4°	90.0°
C31	C26	C25	H14	71.4°	90.0°
C31	C26	C27	H15	179.9°	90.0°
C26	C31	C30	H27	179.9°	90.0°
C29	N28	C27	C26	0.3°	90.0°
C29	N28	C27	RU71	179.1°	90.0°
C29	N28	RU71	N67	26.0°	90.0°
C29	N28	RU71	N66	50.9°	90.0°
C29	N28	RU71	N70	110.9°	90.0°
C29	N28	RU71	N68	123.9°	90.0°
C29	N28	RU71	N69	169.1°	90.0°
C29	N28	C27	H15	179.7°	90.0°
N28	C29	C30	H27	179.7°	90.0°
C26	C25	C24	H13	121.6°	90.0°
C26	C25	C24	H14	121.6°	90.0°
C25	C26	C27	N28	179.1°	90.0°
C26	C25	C24	C23	164.6°	90.0°
C26	C25	C24	H12	43.4°	90.0°
C26	C25	H13	H14	114.9°	90.0°
C25	C26	C27	H15	1.0°	90.0°
C25	C26	C31	H28	0.8°	90.0°
C26	C25	C24	H62	74.2°	90.0°
C27	C26	C25	C24	13.9°	90.0°
C26	C27	N28	H15	180.0°	90.0°
C26	C27	N28	RU71	179.4°	90.0°
C27	C26	C25	H13	135.5°	90.0°
C27	C26	C25	H14	107.7°	90.0°
C27	C26	C31	H28	180.0°	90.0°
C25	C24	C23	H12	121.2°	90.0°
C25	C24	C23	H62	121.2°	90.0°
C25	C24	C23	N22	175.9°	90.0°
C25	C24	C23	H11	62.3°	90.0°
C25	C24	H12	H62	116.2°	90.0°
C24	C25	H13	H14	115.0°	90.0°
C25	C24	C23	H61	54.0°	90.0°
C65	C63	C61	N70	179.8°	90.0°
C65	C63	C61	C64	179.7°	90.0°
C65	C63	N70	RU71	0.6°	90.0°
C65	C63	N70	C59	179.6°	90.0°
C65	C63	C61	H53	0.3°	90.0°
C63	C65	H56	H57	120.0°	90.0°
C63	C65	H56	H58	120.0°	90.0°
C63	C65	H57	H58	120.0°	90.0°
C27	N28	RU71	N67	153.0°	90.0°
C27	N28	RU71	N66	130.0°	90.0°
C27	N28	RU71	N70	68.1°	90.0°
C27	N28	RU71	N68	57.0°	90.0°
C27	N28	RU71	N69	9.9°	90.0°
C27	N28	C29	H26	179.6°	90.0°
N28	RU71	N67	C45	90.8°	90.0°
N28	RU71	N70	C63	20.2°	90.0°
N28	RU71	N66	C43	106.9°	90.0°
N28	RU71	N67	C48	88.9°	90.0°
N28	RU71	N67	N66	91.2°	90.0°
N28	RU71	N67	N70	79.4°	90.0°
N28	RU71	N67	N68	92.5°	90.0°
N28	RU71	N67	N69	165.9°	90.0°
N28	RU71	N66	C42	72.7°	90.0°
N28	RU71	N66	N70	76.5°	90.0°
N28	RU71	N66	N68	73.3°	90.0°
N28	RU71	N66	N69	164.5°	90.0°
N28	RU71	N70	N68	66.7°	90.0°
N28	RU71	N70	N69	159.8°	90.0°
N28	RU71	N70	C59	159.6°	90.0°
N28	RU71	N68	N69	158.0°	90.0°
N28	RU71	N68	C44	99.3°	90.0°
N28	RU71	N68	C53	80.5°	90.0°
N28	RU71	N69	C55	56.9°	90.0°
N28	RU71	N69	C56	122.8°	90.0°
RU71	N28	C27	H15	0.6°	90.0°
RU71	N28	C29	H26	0.5°	90.0°
C47	C49	C46	H42	180.0°	90.0°
C49	C47	C45	H40	180.0°	90.0°
C47	C49	C46	C48	0.0°	90.0°
C49	C47	C45	C43	179.9°	90.0°
C49	C47	C45	N67	0.0°	90.0°
C47	C49	C46	H39	180.0°	90.0°
C46	C49	C47	C45	0.0°	90.0°
C49	C46	C48	H39	180.0°	90.0°
C49	C46	C48	N67	0.0°	90.0°
C46	C49	C47	H40	180.0°	90.0°
C49	C46	C48	H41	180.0°	90.0°
C47	C45	C43	C40	0.0°	90.0°
C47	C45	C43	N67	179.9°	90.0°
C47	C45	C43	N66	179.9°	90.0°
C47	C45	N67	C48	0.1°	90.0°
C47	C45	N67	RU71	179.6°	90.0°
C45	C47	C49	H42	180.0°	90.0°
C39	C40	C43	H37	180.0°	90.0°
C40	C39	C41	H36	180.0°	90.0°
C39	C40	C43	C45	179.6°	90.0°
C39	C40	C43	N66	0.3°	90.0°
C40	C39	C41	C42	0.7°	90.0°
C40	C39	C41	H38	179.3°	90.0°
C43	C40	C39	C41	0.6°	90.0°
C40	C43	C45	N66	179.9°	90.0°
C40	C43	C45	N67	180.0°	90.0°
C40	C43	N66	C42	0.0°	90.0°
C40	C43	N66	RU71	179.6°	90.0°
C43	C40	C39	H36	179.3°	90.0°
C46	C48	N67	C45	0.1°	90.0°
C46	C48	N67	H41	180.0°	90.0°
C46	C48	N67	RU71	179.5°	90.0°
C48	C46	C49	H42	180.0°	90.0°
C24	C23	N22	H11	121.9°	90.0°
C24	C23	N22	H61	121.9°	90.0°
C24	C23	N22	C20	35.2°	90.0°
C24	C23	H11	H61	113.8°	90.0°
C23	C24	H12	H62	116.3°	90.0°
C23	C24	C25	H13	73.8°	90.0°
C23	C24	C25	H14	43.1°	90.0°
C24	C23	N22	H60	144.9°	90.0°
C39	C41	C42	H38	180.0°	90.0°
C39	C41	C42	N66	0.5°	90.0°
C39	C41	C42	C44	179.8°	90.0°
C41	C39	C40	H37	179.3°	90.0°
C43	C45	N67	C48	179.9°	90.0°
C43	C45	N67	RU71	0.5°	90.0°
C45	C43	N66	C42	179.9°	90.0°
C45	C43	N66	RU71	0.3°	90.0°
C45	C43	C40	H37	0.4°	90.0°
C43	C45	C47	H40	0.1°	90.0°
N67	C45	C43	N66	0.1°	90.0°
C45	N67	C48	RU71	179.6°	90.0°
C45	N67	RU71	N66	0.5°	90.0°
C45	N67	RU71	N70	170.2°	90.0°
C45	N67	RU71	N68	1.7°	90.0°
C45	N67	RU71	N69	103.3°	90.0°
N67	C45	C47	H40	180.0°	90.0°
C45	N67	C48	H41	179.9°	90.0°
C63	C61	C64	H53	180.0°	90.0°
C61	C63	N70	RU71	179.7°	90.0°
C61	C63	N70	C59	0.1°	90.0°
C63	C61	C64	C62	0.0°	90.0°
C63	C61	C64	H55	180.0°	90.0°
C61	C63	C65	H56	180.0°	90.0°
C61	C63	C65	H57	60.0°	90.0°
C61	C63	C65	H58	60.0°	90.0°
C63	N70	RU71	N67	88.5°	90.0°
N70	C63	C61	C64	0.1°	90.0°
C63	N70	RU71	N66	58.7°	90.0°
C63	N70	RU71	C59	179.8°	90.0°
C63	N70	RU71	N68	87.0°	90.0°
C63	N70	RU71	N69	179.9°	90.0°
C63	N70	C59	C62	0.1°	90.0°
C63	N70	C59	C55	179.9°	90.0°
N70	C63	C61	H53	179.9°	90.0°
N70	C63	C65	H56	0.2°	90.0°
N70	C63	C65	H57	120.2°	90.0°
N70	C63	C65	H58	119.7°	90.0°
C43	N66	RU71	N67	0.4°	90.0°
C43	N66	C42	C41	0.1°	90.0°
C43	N66	C42	RU71	179.6°	90.0°
C43	N66	C42	C44	179.8°	90.0°
C43	N66	RU71	N70	30.4°	90.0°
C43	N66	RU71	N68	179.8°	90.0°
C43	N66	RU71	N69	88.6°	90.0°
N66	C43	C40	H37	179.7°	90.0°
C23	N22	C20	H60	180.0°	90.0°
C23	N22	C20	O21	0.4°	90.0°
C23	N22	C20	C12	179.2°	90.0°
N22	C23	H11	H61	113.8°	90.0°
N22	C23	C24	H12	54.7°	90.0°
N22	C23	C24	H62	63.0°	90.0°
C48	N67	RU71	N66	179.9°	90.0°
C48	N67	RU71	N70	9.4°	90.0°
C48	N67	RU71	N68	178.6°	90.0°
C48	N67	RU71	N69	77.0°	90.0°
N67	C48	C46	H39	180.0°	90.0°
N67	RU71	N66	C42	180.0°	90.0°
N67	RU71	N66	N70	30.8°	90.0°
N67	RU71	N66	N68	179.4°	90.0°
N67	RU71	N66	N69	88.2°	90.0°
N67	RU71	N70	N68	175.5°	90.0°
N67	RU71	N70	N69	91.5°	90.0°
N67	RU71	N70	C59	91.7°	90.0°
N67	RU71	N68	N69	100.8°	90.0°
N67	RU71	N68	C44	1.9°	90.0°
N67	RU71	N68	C53	178.3°	90.0°
N67	RU71	N69	C55	88.3°	90.0°
N67	RU71	N69	C56	92.0°	90.0°
RU71	N67	C48	H41	0.5°	90.0°
C41	C42	N66	C44	179.7°	90.0°
C41	C42	N66	RU71	179.7°	90.0°
C41	C42	C44	C51	0.2°	90.0°
C41	C42	C44	N68	179.7°	90.0°
C42	C41	C39	H36	179.2°	90.0°
C61	C64	C62	H55	180.0°	90.0°
C61	C64	C62	C59	0.0°	90.0°
C61	C64	C62	H54	180.0°	90.0°
C42	N66	RU71	N70	149.2°	90.0°
C42	N66	RU71	N68	0.6°	90.0°
C42	N66	RU71	N69	91.8°	90.0°
N66	C42	C44	C51	179.9°	90.0°
N66	C42	C44	N68	0.0°	90.0°
N66	C42	C41	H38	179.5°	90.0°
RU71	N66	C42	C44	0.6°	90.0°
N66	RU71	N70	N68	145.6°	90.0°
N66	RU71	N70	N69	121.3°	90.0°
N66	RU71	N70	C59	121.5°	90.0°
N66	RU71	N68	N69	102.1°	90.0°
N66	RU71	N68	C44	0.6°	90.0°
N66	RU71	N68	C53	179.6°	90.0°
N66	RU71	N69	C55	164.2°	90.0°
N66	RU71	N69	C56	16.1°	90.0°
C42	C44	N68	RU71	0.5°	90.0°
C42	C44	C51	N68	179.9°	90.0°
C42	C44	C51	C52	179.9°	90.0°
C42	C44	N68	C53	179.6°	90.0°
C44	C42	C41	H38	0.2°	90.0°
C42	C44	C51	H44	0.1°	90.0°
C03	C02	C01	C04	117.1°	90.0°
C03	C02	C01	O05	121.6°	90.0°
C03	C02	C04	O05	118.4°	90.0°
C03	C02	O05	C06	113.3°	90.0°
C03	C02	C01	H16	180.0°	90.0°
C03	C02	C01	H17	60.0°	90.0°
C03	C02	C01	H18	60.0°	90.0°
C02	C03	H19	H20	120.0°	90.0°
C02	C03	H19	H21	120.0°	90.0°
C02	C03	H20	H21	120.0°	90.0°
C03	C02	C04	H22	180.0°	90.0°
C03	C02	C04	H23	60.0°	90.0°
C03	C02	C04	H24	60.0°	90.0°
N70	RU71	N68	N69	88.5°	90.0°
N70	RU71	N68	C44	168.8°	90.0°
N70	RU71	N68	C53	11.1°	90.0°
RU71	N70	C59	C62	179.8°	90.0°
RU71	N70	C59	C55	0.2°	90.0°
N70	RU71	N69	C55	0.3°	90.0°
N70	RU71	N69	C56	180.0°	90.0°
C59	N70	RU71	N68	92.8°	90.0°
C59	N70	RU71	N69	0.3°	90.0°
N70	C59	C62	C64	0.0°	90.0°
N70	C59	C62	C55	180.0°	90.0°
N70	C59	C55	N69	0.0°	90.0°
N70	C59	C55	C58	180.0°	90.0°
N70	C59	C62	H54	180.0°	90.0°
RU71	N68	C44	C51	179.6°	90.0°
RU71	N68	C44	C53	179.9°	90.0°
RU71	N68	C53	C50	179.0°	90.0°
N68	RU71	N69	C55	120.2°	90.0°
N68	RU71	N69	C56	59.5°	90.0°
RU71	N68	C53	H46	1.0°	90.0°
N69	RU71	N68	C44	102.7°	90.0°
N69	RU71	N68	C53	77.5°	90.0°
RU71	N69	C55	C59	0.2°	90.0°
RU71	N69	C55	C56	179.7°	90.0°
RU71	N69	C55	C58	179.7°	90.0°
RU71	N69	C56	C60	0.6°	90.0°
RU71	N69	C56	C57	179.8°	90.0°
C44	C51	C52	H44	180.0°	90.0°
C51	C44	N68	C53	0.3°	90.0°
C44	C51	C52	C50	0.0°	90.0°
C44	C51	C52	H45	180.0°	90.0°
N68	C44	C51	C52	0.2°	90.0°
C44	N68	C53	C50	0.9°	90.0°
N68	C44	C51	H44	179.8°	90.0°
C44	N68	C53	H46	179.1°	90.0°
C01	C02	C04	O05	123.6°	90.0°
C01	C02	O05	C06	8.1°	90.0°
C02	C01	H16	H17	120.0°	90.0°
C02	C01	H16	H18	120.0°	90.0°
C02	C01	H17	H18	120.0°	90.0°
C01	C02	C03	H19	180.0°	90.0°
C01	C02	C03	H20	60.0°	90.0°
C01	C02	C03	H21	60.0°	90.0°
C01	C02	C04	H22	62.0°	90.0°
C01	C02	C04	H23	58.0°	90.0°
C01	C02	C04	H24	177.9°	90.0°
C51	C52	C50	H45	180.0°	90.0°
C51	C52	C50	C53	0.5°	90.0°
C51	C52	C50	H43	179.5°	90.0°
N68	C53	C50	C52	1.1°	90.0°
N68	C53	C50	H46	180.0°	90.0°
N68	C53	C50	H43	178.9°	90.0°
N22	C20	O21	C12	179.5°	90.0°
N22	C20	C12	S11	161.4°	90.0°
N22	C20	C12	C13	74.4°	90.0°
N22	C20	C12	H3	48.4°	90.0°
C20	N22	C23	H11	86.7°	90.0°
C20	N22	C23	H61	157.1°	90.0°
C04	C02	O05	C06	129.4°	90.0°
C04	C02	C01	H16	62.9°	90.0°
C04	C02	C01	H17	177.1°	90.0°
C04	C02	C01	H18	57.1°	90.0°
C04	C02	C03	H19	61.9°	90.0°
C04	C02	C03	H20	58.1°	90.0°
C04	C02	C03	H21	178.1°	90.0°
C02	C04	H22	H23	120.0°	90.0°
C02	C04	H22	H24	120.1°	90.0°
C02	C04	H23	H24	120.0°	90.0°
C02	O05	C06	O07	42.2°	90.0°
C02	O05	C06	N08	147.2°	90.0°
O05	C02	C01	H16	58.3°	90.0°
O05	C02	C01	H17	61.7°	90.0°
O05	C02	C01	H18	178.4°	90.0°
O05	C02	C03	H19	56.2°	90.0°
O05	C02	C03	H20	176.2°	90.0°
O05	C02	C03	H21	63.7°	90.0°
O05	C02	C04	H22	61.6°	90.0°
O05	C02	C04	H23	178.4°	90.0°
O05	C02	C04	H24	58.4°	90.0°
C64	C62	C59	H54	180.0°	90.0°
C64	C62	C59	C55	180.0°	90.0°
C62	C64	C61	H53	180.0°	90.0°
C52	C50	C53	H43	180.0°	90.0°
C50	C52	C51	H44	180.0°	90.0°
C52	C50	C53	H46	179.0°	90.0°
O21	C20	C12	S11	18.2°	90.0°
O21	C20	C12	C13	106.1°	90.0°
O21	C20	C12	H3	131.1°	90.0°
O21	C20	N22	H60	179.6°	90.0°
C53	C50	C52	H45	179.5°	90.0°
C62	C59	C55	N69	180.0°	90.0°
C62	C59	C55	C58	0.0°	90.0°
C59	C62	C64	H55	180.0°	90.0°
C59	C55	N69	C58	180.0°	90.0°
C59	C55	N69	C56	180.0°	90.0°
C59	C55	C58	C54	179.9°	90.0°
C59	C55	C58	H49	0.1°	90.0°
C55	C59	C62	H54	0.0°	90.0°
C20	C12	S11	C13	128.6°	90.0°
C20	C12	S11	H3	114.9°	90.0°
C20	C12	C13	H3	122.8°	90.0°
C20	C12	S11	C10	145.7°	90.0°
C20	C12	C13	C14	26.7°	90.0°
C20	C12	C13	H4	148.6°	90.0°
C20	C12	C13	H5	95.2°	90.0°
C12	C20	N22	H60	0.8°	90.0°
C55	N69	C56	C60	179.8°	90.0°
C55	N69	C56	C57	0.2°	90.0°
N69	C55	C58	C54	0.1°	90.0°
N69	C55	C58	H49	179.9°	90.0°
C56	N69	C55	C58	0.0°	90.0°
N69	C56	C60	C57	179.6°	90.0°
N69	C56	C57	C54	0.4°	90.0°
N69	C56	C57	H48	179.6°	90.0°
N69	C56	C60	H50	180.0°	90.0°
N69	C56	C60	H51	60.0°	90.0°
N69	C56	C60	H52	60.0°	90.0°
O05	C06	O07	N08	171.3°	90.0°
O05	C06	N08	C09	56.7°	90.0°
O05	C06	N08	H59	123.3°	90.0°
C55	C58	C54	H49	180.0°	90.0°
C55	C58	C54	C57	0.3°	90.0°
C55	C58	C54	H47	179.7°	90.0°
S11	C12	C13	H3	114.8°	90.0°
S11	C12	C13	C14	95.7°	90.0°
C12	S11	C10	C09	150.5°	90.0°
C12	S11	C10	H1	89.6°	90.0°
C12	S11	C10	H2	30.6°	90.0°
S11	C12	C13	H4	26.3°	90.0°
S11	C12	C13	H5	142.4°	90.0°
C13	C12	S11	C10	17.0°	90.0°
C12	C13	C14	C19	12.1°	90.0°
C12	C13	C14	H4	121.9°	90.0°
C12	C13	C14	H5	121.9°	90.0°
C12	C13	C14	C15	168.5°	90.0°
C12	C13	H4	H5	113.6°	90.0°
C60	C56	C57	C54	180.0°	90.0°
C60	C56	C57	H48	0.1°	90.0°
C56	C60	H50	H51	120.0°	90.0°
C56	C60	H50	H52	120.0°	90.0°
C56	C60	H51	H52	120.0°	90.0°
O07	C06	N08	C09	131.9°	90.0°
O07	C06	N08	H59	48.1°	90.0°
C56	C57	C54	C58	0.5°	90.0°
C56	C57	C54	H48	180.0°	90.0°
C56	C57	C54	H47	179.6°	90.0°
C57	C56	C60	H50	0.4°	90.0°
C57	C56	C60	H51	120.4°	90.0°
C57	C56	C60	H52	119.6°	90.0°
S11	C10	C09	N08	81.5°	90.0°
S11	C10	C09	H1	119.9°	90.0°
S11	C10	C09	H2	119.9°	90.0°
S11	C10	C09	C32	154.8°	90.0°
S11	C10	H1	H2	120.3°	90.0°
C10	S11	C12	H3	99.4°	90.0°
S11	C10	C09	H25	37.1°	90.0°
C18	C19	C14	H10	180.0°	90.0°
C19	C18	C17	H9	180.0°	90.0°
C18	C19	C14	C13	179.8°	90.0°
C18	C19	C14	C15	0.3°	90.0°
C19	C18	C17	C16	0.1°	90.0°
C19	C18	C17	H8	179.9°	90.0°
C14	C19	C18	C17	0.2°	90.0°
C19	C14	C13	C15	179.5°	90.0°
C19	C14	C15	C16	0.2°	90.0°
C19	C14	C13	H4	134.0°	90.0°
C19	C14	C13	H5	109.8°	90.0°
C19	C14	C15	H6	179.8°	90.0°
C14	C19	C18	H9	179.7°	90.0°
C06	N08	C09	H59	180.0°	90.0°
C06	N08	C09	C10	80.7°	90.0°
C06	N08	C09	C32	154.0°	90.0°
C06	N08	C09	H25	37.7°	90.0°
C18	C17	C16	H8	180.0°	90.0°
C18	C17	C16	C15	0.0°	90.0°
C18	C17	C16	H7	180.0°	90.0°
C17	C18	C19	H10	179.7°	90.0°
C58	C54	C57	H47	180.0°	90.0°
C58	C54	C57	H48	179.5°	90.0°
C13	C14	C15	C16	179.7°	90.0°
C14	C13	C12	H3	149.6°	90.0°
C14	C13	H4	H5	113.6°	90.0°
C13	C14	C15	H6	0.3°	90.0°
C13	C14	C19	H10	0.2°	90.0°
C14	C15	C16	C17	0.0°	90.0°
C14	C15	C16	H6	180.0°	90.0°
C15	C14	C13	H4	46.5°	90.0°
C15	C14	C13	H5	69.6°	90.0°
C14	C15	C16	H7	179.9°	90.0°
C15	C14	C19	H10	179.7°	90.0°
C57	C54	C58	H49	179.7°	90.0°
N08	C09	C10	C32	123.7°	90.0°
N08	C09	C10	H25	118.6°	90.0°
N08	C09	C32	H25	116.5°	90.0°
N08	C09	C32	C33	158.7°	90.0°
N08	C09	C10	H1	38.4°	90.0°
N08	C09	C10	H2	158.6°	90.0°
N08	C09	C32	H29	37.7°	90.0°
N08	C09	C32	H30	80.2°	90.0°
C17	C16	C15	H7	180.0°	90.0°
C17	C16	C15	H6	180.0°	90.0°
C16	C17	C18	H9	179.9°	90.0°
C10	C09	C32	H25	117.7°	90.0°
C10	C09	C32	C33	75.5°	90.0°
C09	C10	H1	H2	120.3°	90.0°
C10	C09	C32	H29	163.4°	90.0°
C10	C09	C32	H30	45.5°	90.0°
C10	C09	N08	H59	99.3°	90.0°
C09	C32	C33	H29	121.1°	90.0°
C09	C32	C33	H30	121.0°	90.0°
C09	C32	C33	C38	58.7°	90.0°
C09	C32	C33	C34	120.7°	90.0°
C32	C09	C10	H1	85.3°	90.0°
C32	C09	C10	H2	34.9°	90.0°
C09	C32	H29	H30	116.7°	90.0°
C32	C09	N08	H59	26.0°	90.0°
C15	C16	C17	H8	180.0°	90.0°
C32	C33	C38	C34	179.4°	90.0°
C32	C33	C38	C37	179.7°	90.0°
C32	C33	C34	C35	179.8°	90.0°
C33	C32	C09	H25	42.2°	90.0°
C33	C32	H29	H30	116.8°	90.0°
C32	C33	C34	H31	0.2°	90.0°
C32	C33	C38	H35	0.3°	90.0°
C33	C38	C37	H35	180.0°	90.0°
C33	C38	C37	C36	0.1°	90.0°
C38	C33	C34	C35	0.3°	90.0°
C38	C33	C32	H29	179.7°	90.0°
C38	C33	C32	H30	62.3°	90.0°
C38	C33	C34	H31	179.7°	90.0°
C33	C38	C37	H34	179.9°	90.0°
C37	C38	C33	C34	0.3°	90.0°
C38	C37	C36	H34	180.0°	90.0°
C38	C37	C36	C35	0.1°	90.0°
C38	C37	C36	H33	179.9°	90.0°
C33	C34	C35	H31	180.0°	90.0°
C33	C34	C35	C36	0.2°	90.0°
C34	C33	C32	H29	0.3°	90.0°
C34	C33	C32	H30	118.2°	90.0°
C33	C34	C35	H32	179.8°	90.0°
C34	C33	C38	H35	179.7°	90.0°
C37	C36	C35	C34	0.0°	90.0°
C37	C36	C35	H33	180.0°	90.0°
C37	C36	C35	H32	180.0°	90.0°
C36	C37	C38	H35	179.9°	90.0°
C34	C35	C36	H32	180.0°	90.0°
C34	C35	C36	H33	180.0°	90.0°
C36	C35	C34	H31	179.8°	90.0°
C35	C36	C37	H34	179.9°	90.0°
H1	C10	C09	H25	157.0°	90.0°
H2	C10	C09	H25	82.8°	90.0°
H3	C12	C13	H4	88.5°	90.0°
H3	C12	C13	H5	27.6°	90.0°
H6	C15	C16	H7	0.1°	90.0°
H7	C16	C17	H8	0.0°	90.0°
H8	C17	C18	H9	0.1°	90.0°
H9	C18	C19	H10	0.3°	90.0°
H11	C23	C24	H12	176.6°	90.0°
H11	C23	N22	H60	93.3°	90.0°
H11	C23	C24	H62	58.9°	90.0°
H12	C24	C25	H13	165.0°	90.0°
H12	C24	C25	H14	78.1°	90.0°
H12	C24	C23	H61	67.2°	90.0°
H13	C25	C24	H62	47.3°	90.0°
H14	C25	C24	H62	164.2°	90.0°
H16	C01	H17	H18	120.0°	90.0°
H19	C03	H20	H21	120.0°	90.0°
H22	C04	H23	H24	120.0°	90.0°
H25	C09	C32	H29	78.8°	90.0°
H25	C09	C32	H30	163.3°	90.0°
H25	C09	N08	H59	142.3°	90.0°
H26	C29	C30	H27	0.3°	90.0°
H27	C30	C31	H28	0.1°	90.0°
H31	C34	C35	H32	0.2°	90.0°
H32	C35	C36	H33	0.0°	90.0°
H33	C36	C37	H34	0.1°	90.0°
H34	C37	C38	H35	0.1°	90.0°
H36	C39	C40	H37	0.7°	90.0°
H36	C39	C41	H38	0.7°	90.0°
H39	C46	C48	H41	0.0°	90.0°
H39	C46	C49	H42	0.0°	90.0°
H40	C47	C49	H42	0.0°	90.0°
H43	C50	C52	H45	0.5°	90.0°
H43	C50	C53	H46	1.0°	90.0°
H44	C51	C52	H45	0.0°	90.0°
H47	C54	C57	H48	0.5°	90.0°
H47	C54	C58	H49	0.3°	90.0°
H50	C60	H51	H52	120.0°	90.0°
H53	C61	C64	H55	0.0°	90.0°
H54	C62	C64	H55	0.0°	90.0°
H56	C65	H57	H58	120.0°	90.0°
H60	N22	C23	H61	23.0°	90.0°
H61	C23	C24	H62	175.1°	90.0°

Release date:	2021-06-02
Definition date:	2020-12-03
Last modified:	2021-05-28
Release status:	REL
Processing site:	RCSB
Derived from:	7KSA