X0E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C60	C61	doub	0.00Å	1.41Å	Aromatic
C60	N59	sing	0.00Å	1.34Å	Aromatic
C61	C53	sing	0.00Å	1.40Å	Aromatic
C63	C56	sing	0.00Å	1.54Å
C36	C35	doub	0.00Å	1.42Å	Aromatic
C36	C33	sing	0.00Å	1.42Å	Aromatic
C46	N47	sing	0.00Å	1.49Å
C46	C33	sing	0.00Å	1.56Å
N47	C48	sing	0.00Å	1.48Å
N59	C58	doub	0.00Å	1.34Å	Aromatic
C53	C50	sing	0.00Å	1.54Å
C53	C57	doub	0.00Å	1.40Å	Aromatic
C50	C49	sing	0.00Å	1.56Å
C65	C56	sing	0.00Å	1.53Å
C35	C32	sing	0.00Å	1.41Å	Aromatic
C33	C37	doub	0.00Å	1.38Å	Aromatic
C56	C64	sing	0.00Å	1.53Å
C56	O55	sing	0.00Å	1.43Å
N52	C49	sing	0.00Å	1.47Å
N52	C54	sing	0.00Å	1.48Å
C48	C49	sing	0.00Å	1.55Å
C48	O51	doub	0.00Å	1.21Å
C58	C57	sing	0.00Å	1.41Å	Aromatic
C04	C05	doub	0.00Å	1.40Å	Aromatic
C04	C01	sing	0.00Å	1.40Å	Aromatic
C32	N34	doub	0.00Å	1.29Å	Aromatic
C32	C29	sing	0.00Å	1.45Å
C37	N34	sing	0.00Å	1.35Å	Aromatic
C54	O55	sing	0.00Å	1.45Å
C54	O62	doub	0.00Å	1.20Å
C05	C02	sing	0.00Å	1.38Å	Aromatic
C01	C03	doub	0.00Å	1.40Å	Aromatic
C30	C29	doub	0.00Å	1.39Å	Aromatic
C30	C27	sing	0.00Å	1.37Å	Aromatic
N34	IR07	sing	0.00Å	2.01Å
C29	N14	sing	0.00Å	1.37Å	Aromatic
C27	C31	doub	0.00Å	1.39Å	Aromatic
C02	C06	doub	0.00Å	1.38Å	Aromatic
C03	C06	sing	0.00Å	1.43Å	Aromatic
C03	IR07	sing	0.00Å	2.04Å
C06	C08	sing	0.00Å	1.47Å
N14	IR07	sing	0.00Å	2.11Å
N14	C28	doub	0.00Å	1.35Å	Aromatic
C43	C42	doub	0.00Å	1.39Å	Aromatic
C43	C44	sing	0.00Å	1.39Å	Aromatic
C31	C28	sing	0.00Å	1.40Å	Aromatic
C42	C26	sing	0.00Å	1.39Å	Aromatic
IR07	N23	sing	0.00Å	2.05Å
IR07	N10	sing	0.00Å	1.99Å
IR07	C15	sing	0.00Å	2.02Å
C44	C45	doub	0.00Å	1.39Å	Aromatic
C26	N23	doub	0.00Å	1.35Å	Aromatic
C26	C22	sing	0.00Å	1.40Å	Aromatic
N23	C21	sing	0.00Å	1.33Å	Aromatic
C08	N10	doub	0.00Å	1.30Å	Aromatic
C08	C11	sing	0.00Å	1.41Å	Aromatic
N10	C13	sing	0.00Å	1.35Å	Aromatic
C17	C15	doub	0.00Å	1.40Å	Aromatic
C17	C20	sing	0.00Å	1.40Å	Aromatic
C45	C22	sing	0.00Å	1.40Å	Aromatic
C15	C18	sing	0.00Å	1.37Å	Aromatic
C22	C25	doub	0.00Å	1.39Å	Aromatic
C21	C18	sing	0.00Å	1.45Å
C21	C24	doub	0.00Å	1.39Å	Aromatic
C11	C12	doub	0.00Å	1.39Å	Aromatic
C18	C19	doub	0.00Å	1.40Å	Aromatic
C20	C16	doub	0.00Å	1.39Å	Aromatic
C25	C24	sing	0.00Å	1.38Å	Aromatic
C13	C38	doub	0.00Å	1.42Å	Aromatic
C13	C09	sing	0.00Å	1.39Å	Aromatic
C19	C16	sing	0.00Å	1.39Å	Aromatic
C38	C39	sing	0.00Å	1.39Å	Aromatic
C12	C09	sing	0.00Å	1.35Å	Aromatic
C09	C41	doub	0.00Å	1.41Å	Aromatic
C39	C40	doub	0.00Å	1.40Å	Aromatic
C41	C40	sing	0.00Å	1.41Å	Aromatic
C01	H1	sing	0.00Å	1.08Å
C02	H2	sing	0.00Å	1.08Å
C04	H3	sing	0.00Å	1.08Å
C05	H4	sing	0.00Å	1.08Å
C11	H5	sing	0.00Å	1.08Å
C12	H6	sing	0.00Å	1.08Å
C16	H7	sing	0.00Å	1.08Å
C17	H8	sing	0.00Å	1.08Å
C19	H9	sing	0.00Å	1.08Å
C20	H10	sing	0.00Å	1.08Å
C24	H11	sing	0.00Å	1.08Å
C25	H12	sing	0.00Å	1.08Å
C27	H13	sing	0.00Å	1.08Å
C28	H14	sing	0.00Å	1.08Å
C30	H15	sing	0.00Å	1.08Å
C31	H16	sing	0.00Å	1.08Å
C35	H17	sing	0.00Å	1.08Å
C36	H18	sing	0.00Å	1.08Å
C37	H19	sing	0.00Å	1.08Å
C38	H20	sing	0.00Å	1.08Å
C39	H21	sing	0.00Å	1.08Å
C40	H22	sing	0.00Å	1.08Å
C41	H23	sing	0.00Å	1.08Å
C42	H24	sing	0.00Å	1.08Å
C43	H25	sing	0.00Å	1.08Å
C44	H26	sing	0.00Å	1.08Å
C45	H27	sing	0.00Å	1.08Å
C46	H28	sing	0.00Å	1.10Å
C46	H29	sing	0.00Å	1.10Å
C49	H30	sing	0.00Å	1.10Å
C50	H31	sing	0.00Å	1.10Å
C50	H32	sing	0.00Å	1.10Å
C57	H33	sing	0.00Å	1.08Å
C58	H34	sing	0.00Å	1.08Å
C60	H35	sing	0.00Å	1.08Å
C61	H36	sing	0.00Å	1.08Å
C63	H37	sing	0.00Å	1.10Å
C63	H38	sing	0.00Å	1.10Å
C63	H39	sing	0.00Å	1.10Å
C64	H40	sing	0.00Å	1.10Å
C64	H41	sing	0.00Å	1.10Å
C64	H42	sing	0.00Å	1.10Å
C65	H43	sing	0.00Å	1.10Å
C65	H44	sing	0.00Å	1.10Å
C65	H45	sing	0.00Å	1.10Å
N47	H46	sing	0.00Å	1.00Å
N52	H47	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C61	C60	N59	120.4°	90.0°
C60	C61	C53	119.1°	90.0°
C61	C60	H35	119.8°	90.0°
C60	C61	H36	120.5°	90.0°
C60	N59	C58	121.9°	90.0°
N59	C60	H35	119.8°	90.0°
C61	C53	C50	119.9°	90.0°
C61	C53	C57	118.9°	90.0°
C53	C61	H36	120.5°	90.0°
C63	C56	C65	110.4°	90.0°
C63	C56	C64	107.7°	90.0°
C63	C56	O55	113.4°	90.0°
C56	C63	H37	109.5°	90.0°
C56	C63	H38	109.4°	90.0°
C56	C63	H39	109.5°	90.0°
C35	C36	C33	118.7°	90.0°
C36	C35	C32	118.3°	90.0°
C36	C35	H17	120.8°	90.0°
C35	C36	H18	120.6°	90.0°
C36	C33	C46	127.4°	90.0°
C36	C33	C37	115.8°	90.0°
C33	C36	H18	120.7°	90.0°
N47	C46	C33	124.9°	90.0°
C46	N47	C48	124.9°	90.0°
N47	C46	H28	105.5°	90.0°
N47	C46	H29	105.5°	90.0°
C46	N47	H46	117.5°	90.0°
C46	C33	C37	116.8°	90.0°
C33	C46	H28	105.5°	90.0°
C33	C46	H29	105.5°	90.0°
N47	C48	C49	131.0°	90.0°
N47	C48	O51	117.2°	90.0°
C48	N47	H46	117.5°	90.0°
N59	C58	C57	120.4°	90.0°
N59	C58	H34	119.8°	90.0°
C50	C53	C57	121.2°	90.0°
C53	C50	C49	113.0°	90.0°
C53	C50	H31	108.6°	90.0°
C53	C50	H32	108.6°	90.0°
C53	C57	C58	119.3°	90.0°
C53	C57	H33	120.3°	90.0°
C50	C49	N52	107.3°	90.0°
C50	C49	C48	118.1°	90.0°
C50	C49	H30	107.7°	90.0°
C49	C50	H31	108.6°	90.0°
C49	C50	H32	108.6°	90.0°
C65	C56	C64	107.6°	90.0°
C65	C56	O55	107.4°	90.0°
C56	C65	H43	109.5°	90.0°
C56	C65	H44	109.5°	90.0°
C56	C65	H45	109.4°	90.0°
C35	C32	N34	122.9°	90.0°
C35	C32	C29	128.9°	90.0°
C32	C35	H17	120.9°	90.0°
C33	C37	N34	125.4°	90.0°
C33	C37	H19	117.3°	90.0°
C64	C56	O55	110.2°	90.0°
C56	C64	H40	109.5°	90.0°
C56	C64	H41	109.4°	90.0°
C56	C64	H42	109.5°	90.0°
C56	O55	C54	124.9°	90.0°
C49	N52	C54	118.7°	90.0°
N52	C49	C48	106.8°	90.0°
N52	C49	H30	108.8°	90.0°
C49	N52	H47	120.6°	90.0°
N52	C54	O55	132.9°	90.0°
N52	C54	O62	112.6°	90.0°
C54	N52	H47	120.7°	90.0°
C49	C48	O51	111.8°	90.0°
C48	C49	H30	107.8°	90.0°
C58	C57	H33	120.3°	90.0°
C57	C58	H34	119.8°	90.0°
C05	C04	C01	121.4°	90.0°
C04	C05	C02	119.3°	90.0°
C05	C04	H3	119.3°	90.0°
C04	C05	H4	120.4°	90.0°
C04	C01	C03	120.3°	90.0°
C04	C01	H1	119.9°	90.0°
C01	C04	H3	119.3°	90.0°
N34	C32	C29	108.1°	90.0°
C32	N34	C37	118.5°	90.0°
C32	N34	IR07	127.0°	90.0°
C32	C29	C30	115.3°	90.0°
C32	C29	N14	116.3°	90.0°
C37	N34	IR07	114.1°	90.0°
N34	C37	H19	117.3°	90.0°
O55	C54	O62	114.4°	90.0°
C05	C02	C06	119.4°	90.0°
C05	C02	H2	120.3°	90.0°
C02	C05	H4	120.3°	90.0°
C01	C03	C06	116.0°	90.0°
C01	C03	IR07	130.0°	90.0°
C03	C01	H1	119.8°	90.0°
C29	C30	C27	120.0°	90.0°
C30	C29	N14	128.1°	90.0°
C29	C30	H15	120.0°	90.0°
C30	C27	C31	115.2°	90.0°
C30	C27	H13	122.4°	90.0°
C27	C30	H15	120.0°	90.0°
N34	IR07	C03	84.3°	90.0°
N34	IR07	N14	73.2°	90.0°
N34	IR07	N23	90.3°	90.0°
N34	IR07	N10	135.8°	90.0°
N34	IR07	C15	130.4°	90.0°
C29	N14	IR07	114.8°	90.0°
C29	N14	C28	108.0°	90.0°
C27	C31	C28	119.7°	90.0°
C31	C27	H13	122.4°	90.0°
C27	C31	H16	120.2°	90.0°
C02	C06	C03	122.8°	90.0°
C02	C06	C08	121.7°	90.0°
C06	C02	H2	120.3°	90.0°
C06	C03	IR07	112.1°	90.0°
C03	C06	C08	115.2°	90.0°
C03	IR07	N14	115.5°	90.0°
C03	IR07	N23	141.2°	90.0°
C03	IR07	N10	78.6°	90.0°
C03	IR07	C15	75.4°	90.0°
C06	C08	N10	111.3°	90.0°
C06	C08	C11	128.7°	90.0°
IR07	N14	C28	135.5°	90.0°
N14	IR07	N23	99.3°	90.0°
N14	IR07	N10	78.0°	90.0°
N14	IR07	C15	156.1°	90.0°
N14	C28	C31	128.1°	90.0°
N14	C28	H14	115.9°	90.0°
C42	C43	C44	119.0°	90.0°
C43	C42	C26	122.9°	90.0°
C43	C42	H24	118.6°	90.0°
C42	C43	H25	120.5°	90.0°
C43	C44	C45	119.5°	90.0°
C44	C43	H25	120.5°	90.0°
C43	C44	H26	120.2°	90.0°
C31	C28	H14	115.9°	90.0°
C28	C31	H16	120.2°	90.0°
C42	C26	N23	120.4°	90.0°
C42	C26	C22	117.6°	90.0°
C26	C42	H24	118.6°	90.0°
N23	IR07	N10	127.4°	90.0°
N23	IR07	C15	79.5°	90.0°
IR07	N23	C26	128.9°	90.0°
IR07	N23	C21	114.9°	90.0°
N10	IR07	C15	83.9°	90.0°
IR07	N10	C08	122.0°	90.0°
IR07	N10	C13	115.7°	90.0°
IR07	C15	C17	126.9°	90.0°
IR07	C15	C18	115.0°	90.0°
C44	C45	C22	120.7°	90.0°
C45	C44	H26	120.2°	90.0°
C44	C45	H27	119.7°	90.0°
N23	C26	C22	121.9°	90.0°
C26	N23	C21	115.8°	90.0°
C26	C22	C45	120.3°	90.0°
C26	C22	C25	120.7°	90.0°
N23	C21	C18	115.9°	90.0°
N23	C21	C24	125.9°	90.0°
N10	C08	C11	120.0°	90.0°
C08	N10	C13	121.8°	90.0°
C08	C11	C12	117.6°	90.0°
C08	C11	H5	121.2°	90.0°
N10	C13	C38	118.2°	90.0°
N10	C13	C09	120.8°	90.0°
C15	C17	C20	121.3°	90.0°
C17	C15	C18	115.5°	90.0°
C15	C17	H8	119.3°	90.0°
C17	C20	C16	120.0°	90.0°
C20	C17	H8	119.3°	90.0°
C17	C20	H10	120.0°	90.0°
C45	C22	C25	119.0°	90.0°
C22	C45	H27	119.7°	90.0°
C15	C18	C21	113.9°	90.0°
C15	C18	C19	124.5°	90.0°
C22	C25	C24	117.5°	90.0°
C22	C25	H12	121.2°	90.0°
C18	C21	C24	118.1°	90.0°
C21	C18	C19	121.2°	90.0°
C21	C24	C25	117.8°	90.0°
C21	C24	H11	121.1°	90.0°
C11	C12	C09	121.4°	90.0°
C12	C11	H5	121.2°	90.0°
C11	C12	H6	119.3°	90.0°
C18	C19	C16	117.6°	90.0°
C18	C19	H9	121.2°	90.0°
C20	C16	C19	119.8°	90.0°
C20	C16	H7	120.1°	90.0°
C16	C20	H10	120.0°	90.0°
C25	C24	H11	121.1°	90.0°
C24	C25	H12	121.2°	90.0°
C38	C13	C09	120.8°	90.0°
C13	C38	C39	120.8°	90.0°
C13	C38	H20	119.6°	90.0°
C13	C09	C12	117.7°	90.0°
C13	C09	C41	118.5°	90.0°
C19	C16	H7	120.1°	90.0°
C16	C19	H9	121.2°	90.0°
C38	C39	C40	118.5°	90.0°
C39	C38	H20	119.6°	90.0°
C38	C39	H21	120.8°	90.0°
C12	C09	C41	123.8°	90.0°
C09	C12	H6	119.3°	90.0°
C09	C41	C40	120.3°	90.0°
C09	C41	H23	119.8°	90.0°
C39	C40	C41	121.0°	90.0°
C40	C39	H21	120.7°	90.0°
C39	C40	H22	119.5°	90.0°
C41	C40	H22	119.5°	90.0°
C40	C41	H23	119.9°	90.0°
H28	C46	H29	109.5°	90.0°
H31	C50	H32	109.5°	90.0°
H37	C63	H38	109.5°	90.0°
H37	C63	H39	109.4°	90.0°
H38	C63	H39	109.5°	90.0°
H40	C64	H41	109.5°	90.0°
H40	C64	H42	109.4°	90.0°
H41	C64	H42	109.5°	90.0°
H43	C65	H44	109.5°	90.0°
H43	C65	H45	109.5°	90.0°
H44	C65	H45	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C61	C60	N59	H35	180.0°	90.0°
C60	C61	C53	H36	180.0°	90.0°
C61	C60	N59	C58	0.3°	90.0°
C60	C61	C53	C50	179.9°	90.0°
C60	C61	C53	C57	0.8°	90.0°
N59	C60	C61	C53	0.3°	90.0°
C60	N59	C58	C57	0.2°	90.0°
C60	N59	C58	H34	179.8°	90.0°
N59	C60	C61	H36	179.8°	90.0°
C61	C53	C50	C57	179.0°	90.0°
C61	C53	C50	C49	125.8°	90.0°
C61	C53	C57	C58	0.9°	90.0°
C61	C53	C50	H31	5.3°	90.0°
C61	C53	C50	H32	113.6°	90.0°
C61	C53	C57	H33	179.1°	90.0°
C53	C61	C60	H35	179.7°	90.0°
C63	C56	C65	C64	117.3°	90.0°
C63	C56	C65	O55	124.1°	90.0°
C63	C56	C64	O55	124.2°	90.0°
C63	C56	O55	C54	22.2°	90.0°
C56	C63	H37	H38	120.0°	90.0°
C56	C63	H37	H39	120.0°	90.0°
C56	C63	H38	H39	120.0°	90.0°
C63	C56	C64	H40	180.0°	90.0°
C63	C56	C64	H41	60.0°	90.0°
C63	C56	C64	H42	60.0°	90.0°
C63	C56	C65	H43	180.0°	90.0°
C63	C56	C65	H44	60.0°	90.0°
C63	C56	C65	H45	60.0°	90.0°
C35	C36	C33	H18	180.0°	90.0°
C35	C36	C33	C46	179.7°	90.0°
C36	C35	C32	H17	180.0°	90.0°
C35	C36	C33	C37	1.6°	90.0°
C36	C35	C32	N34	3.2°	90.0°
C36	C35	C32	C29	179.8°	90.0°
C36	C33	C46	N47	132.8°	90.0°
C36	C33	C46	C37	178.0°	90.0°
C33	C36	C35	C32	0.5°	90.0°
C36	C33	C37	N34	5.6°	90.0°
C33	C36	C35	H17	179.5°	90.0°
C36	C33	C37	H19	174.4°	90.0°
C36	C33	C46	H28	10.7°	90.0°
C36	C33	C46	H29	105.2°	90.0°
N47	C46	C33	H28	122.1°	90.0°
N47	C46	C33	H29	122.1°	90.0°
C46	N47	C48	H46	180.0°	90.0°
N47	C46	C33	C37	49.2°	90.0°
C46	N47	C48	C49	179.9°	90.0°
C46	N47	C48	O51	1.2°	90.0°
N47	C46	H28	H29	113.1°	90.0°
C33	C46	N47	C48	112.1°	90.0°
C46	C33	C37	N34	176.2°	90.0°
C46	C33	C36	H18	0.3°	90.0°
C46	C33	C37	H19	3.8°	90.0°
C33	C46	H28	H29	113.1°	90.0°
C33	C46	N47	H46	67.9°	90.0°
N47	C48	C49	C50	95.4°	90.0°
N47	C48	C49	N52	25.5°	90.0°
N47	C48	C49	O51	179.0°	90.0°
C48	N47	C46	H28	125.8°	90.0°
C48	N47	C46	H29	9.9°	90.0°
N47	C48	C49	H30	142.3°	90.0°
N59	C58	C57	C53	0.4°	90.0°
N59	C58	C57	H34	180.0°	90.0°
N59	C58	C57	H33	179.6°	90.0°
C58	N59	C60	H35	179.7°	90.0°
C53	C50	C49	H31	120.5°	90.0°
C53	C50	C49	H32	120.5°	90.0°
C53	C50	C49	N52	42.2°	90.0°
C53	C50	C49	C48	162.9°	90.0°
C50	C53	C57	C58	179.9°	90.0°
C53	C50	C49	H30	74.8°	90.0°
C53	C50	H31	H32	118.4°	90.0°
C50	C53	C57	H33	0.1°	90.0°
C50	C53	C61	H36	0.1°	90.0°
C57	C53	C50	C49	55.2°	90.0°
C53	C57	C58	H33	180.0°	90.0°
C57	C53	C50	H31	175.7°	90.0°
C57	C53	C50	H32	65.4°	90.0°
C53	C57	C58	H34	179.6°	90.0°
C57	C53	C61	H36	179.2°	90.0°
C50	C49	N52	C48	127.6°	90.0°
C50	C49	N52	H30	116.3°	90.0°
C50	C49	N52	C54	112.6°	90.0°
C50	C49	C48	H30	122.3°	90.0°
C50	C49	C48	O51	85.5°	90.0°
C49	C50	H31	H32	118.4°	90.0°
C50	C49	N52	H47	67.4°	90.0°
C65	C56	C64	O55	116.8°	90.0°
C65	C56	O55	C54	100.0°	90.0°
C65	C56	C63	H37	180.0°	90.0°
C65	C56	C63	H38	60.0°	90.0°
C65	C56	C63	H39	60.0°	90.0°
C65	C56	C64	H40	61.0°	90.0°
C65	C56	C64	H41	59.0°	90.0°
C65	C56	C64	H42	179.0°	90.0°
C56	C65	H43	H44	120.0°	90.0°
C56	C65	H43	H45	120.0°	90.0°
C56	C65	H44	H45	119.9°	90.0°
C35	C32	N34	C29	177.2°	90.0°
C35	C32	N34	C37	6.7°	90.0°
C35	C32	C29	C30	1.0°	90.0°
C35	C32	N34	IR07	179.3°	90.0°
C35	C32	C29	N14	175.3°	90.0°
C32	C35	C36	H18	179.4°	90.0°
C33	C37	N34	C32	8.2°	90.0°
C33	C37	N34	H19	180.0°	90.0°
C33	C37	N34	IR07	178.3°	90.0°
C37	C33	C36	H18	178.3°	90.0°
C37	C33	C46	H28	171.3°	90.0°
C37	C33	C46	H29	72.9°	90.0°
C64	C56	O55	C54	143.0°	90.0°
C64	C56	C63	H37	62.8°	90.0°
C64	C56	C63	H38	57.2°	90.0°
C64	C56	C63	H39	177.2°	90.0°
C56	C64	H40	H41	120.0°	90.0°
C56	C64	H40	H42	120.0°	90.0°
C56	C64	H41	H42	120.0°	90.0°
C64	C56	C65	H43	62.7°	90.0°
C64	C56	C65	H44	177.3°	90.0°
C64	C56	C65	H45	57.3°	90.0°
C56	O55	C54	N52	13.1°	90.0°
C56	O55	C54	O62	167.8°	90.0°
O55	C56	C63	H37	59.4°	90.0°
O55	C56	C63	H38	179.4°	90.0°
O55	C56	C63	H39	60.6°	90.0°
O55	C56	C64	H40	55.8°	90.0°
O55	C56	C64	H41	175.8°	90.0°
O55	C56	C64	H42	64.2°	90.0°
O55	C56	C65	H43	55.9°	90.0°
O55	C56	C65	H44	64.1°	90.0°
O55	C56	C65	H45	175.9°	90.0°
C49	N52	C54	H47	180.0°	90.0°
N52	C49	C48	H30	116.8°	90.0°
N52	C49	C48	O51	153.6°	90.0°
C49	N52	C54	O55	179.1°	90.0°
C49	N52	C54	O62	0.1°	90.0°
N52	C49	C50	H31	78.3°	90.0°
N52	C49	C50	H32	162.7°	90.0°
C54	N52	C49	C48	119.8°	90.0°
N52	C54	O55	O62	179.1°	90.0°
C54	N52	C49	H30	3.7°	90.0°
C48	C49	C50	H31	42.4°	90.0°
C48	C49	C50	H32	76.6°	90.0°
C49	C48	N47	H46	0.1°	90.0°
C48	C49	N52	H47	60.2°	90.0°
O51	C48	C49	H30	36.8°	90.0°
O51	C48	N47	H46	178.9°	90.0°
C05	C04	C01	H3	180.0°	90.0°
C04	C05	C02	H4	180.0°	90.0°
C05	C04	C01	C03	4.7°	90.0°
C04	C05	C02	C06	1.1°	90.0°
C05	C04	C01	H1	175.3°	90.0°
C04	C05	C02	H2	179.0°	90.0°
C01	C04	C05	C02	0.3°	90.0°
C04	C01	C03	H1	180.0°	90.0°
C04	C01	C03	C06	9.2°	90.0°
C04	C01	C03	IR07	172.0°	90.0°
C01	C04	C05	H4	179.7°	90.0°
C32	N34	C37	IR07	173.5°	90.0°
N34	C32	C29	C30	178.0°	90.0°
N34	C32	C29	N14	7.7°	90.0°
C32	N34	IR07	C03	118.2°	90.0°
C32	N34	IR07	N14	0.6°	90.0°
C32	N34	IR07	N23	100.3°	90.0°
C32	N34	IR07	N10	51.0°	90.0°
C32	N34	IR07	C15	176.6°	90.0°
N34	C32	C35	H17	176.8°	90.0°
C32	N34	C37	H19	171.8°	90.0°
C29	C32	N34	C37	176.1°	90.0°
C32	C29	C30	N14	173.5°	90.0°
C32	C29	C30	C27	179.8°	90.0°
C29	C32	N34	IR07	3.5°	90.0°
C32	C29	N14	IR07	8.6°	90.0°
C32	C29	N14	C28	176.0°	90.0°
C32	C29	C30	H15	0.2°	90.0°
C29	C32	C35	H17	0.2°	90.0°
C37	N34	IR07	C03	69.0°	90.0°
C37	N34	IR07	N14	172.2°	90.0°
C37	N34	IR07	N23	72.6°	90.0°
C37	N34	IR07	N10	136.2°	90.0°
C37	N34	IR07	C15	3.7°	90.0°
O55	C54	N52	H47	0.9°	90.0°
O62	C54	N52	H47	180.0°	90.0°
C05	C02	C06	H2	180.0°	90.0°
C05	C02	C06	C03	6.3°	90.0°
C05	C02	C06	C08	179.7°	90.0°
C02	C05	C04	H3	179.8°	90.0°
C01	C03	IR07	N34	30.8°	90.0°
C01	C03	C06	C02	10.3°	90.0°
C01	C03	C06	IR07	165.8°	90.0°
C01	C03	C06	C08	175.9°	90.0°
C01	C03	IR07	N14	99.1°	90.0°
C01	C03	IR07	N23	52.5°	90.0°
C01	C03	IR07	N10	169.8°	90.0°
C01	C03	IR07	C15	103.7°	90.0°
C03	C01	C04	H3	175.4°	90.0°
C29	C30	C27	H15	180.0°	90.0°
C29	C30	C27	C31	0.5°	90.0°
C30	C29	N14	IR07	177.9°	90.0°
C30	C29	N14	C28	10.6°	90.0°
C29	C30	C27	H13	179.6°	90.0°
C27	C30	C29	N14	6.2°	90.0°
C30	C27	C31	H13	180.0°	90.0°
C30	C27	C31	C28	0.7°	90.0°
C30	C27	C31	H16	179.2°	90.0°
N34	IR07	N14	C29	5.0°	90.0°
N34	IR07	C03	C06	132.5°	90.0°
N34	IR07	C03	N14	68.4°	90.0°
N34	IR07	C03	N23	83.2°	90.0°
N34	IR07	C03	N10	139.1°	90.0°
N34	IR07	C03	C15	134.4°	90.0°
N34	IR07	N14	N23	87.4°	90.0°
N34	IR07	N14	N10	146.1°	90.0°
N34	IR07	N14	C15	172.4°	90.0°
N34	IR07	N14	C28	167.7°	90.0°
N34	IR07	N23	N10	155.0°	90.0°
N34	IR07	N23	C15	131.2°	90.0°
N34	IR07	N10	C15	145.6°	90.0°
N34	IR07	N23	C26	58.4°	90.0°
N34	IR07	N23	C21	129.5°	90.0°
N34	IR07	N10	C08	67.1°	90.0°
N34	IR07	N10	C13	120.2°	90.0°
N34	IR07	C15	C17	86.2°	90.0°
N34	IR07	C15	C18	74.4°	90.0°
IR07	N34	C37	H19	1.7°	90.0°
C29	N14	IR07	C03	70.0°	90.0°
C29	N14	IR07	C28	162.7°	90.0°
C29	N14	C28	C31	10.9°	90.0°
C29	N14	IR07	N23	92.4°	90.0°
C29	N14	IR07	N10	141.1°	90.0°
C29	N14	IR07	C15	177.4°	90.0°
C29	N14	C28	H14	169.1°	90.0°
N14	C29	C30	H15	173.7°	90.0°
C27	C31	C28	N14	7.0°	90.0°
C27	C31	C28	H16	180.0°	90.0°
C27	C31	C28	H14	173.0°	90.0°
C31	C27	C30	H15	179.5°	90.0°
C02	C06	C03	C08	173.8°	90.0°
C02	C06	C03	IR07	176.1°	90.0°
C02	C06	C08	N10	177.7°	90.0°
C02	C06	C08	C11	1.5°	90.0°
C06	C02	C05	H4	178.9°	90.0°
C06	C03	IR07	N14	64.2°	90.0°
C06	C03	IR07	N23	144.3°	90.0°
C06	C03	IR07	N10	6.5°	90.0°
C06	C03	IR07	C15	93.1°	90.0°
C03	C06	C08	N10	8.4°	90.0°
C03	C06	C08	C11	175.4°	90.0°
C06	C03	C01	H1	170.8°	90.0°
C03	C06	C02	H2	173.7°	90.0°
IR07	C03	C06	C08	10.1°	90.0°
C03	IR07	N14	N23	162.4°	90.0°
C03	IR07	N14	N10	71.1°	90.0°
C03	IR07	N14	C15	112.6°	90.0°
C03	IR07	N14	C28	92.7°	90.0°
C03	IR07	N23	N10	123.8°	90.0°
C03	IR07	N23	C15	50.1°	90.0°
C03	IR07	N10	C15	76.3°	90.0°
C03	IR07	N23	C26	139.5°	90.0°
C03	IR07	N23	C21	48.4°	90.0°
C03	IR07	N10	C08	2.2°	90.0°
C03	IR07	N10	C13	170.5°	90.0°
C03	IR07	C15	C17	17.2°	90.0°
C03	IR07	C15	C18	143.4°	90.0°
IR07	C03	C01	H1	8.0°	90.0°
C06	C08	N10	IR07	2.7°	90.0°
C06	C08	N10	C11	176.6°	90.0°
C06	C08	N10	C13	175.0°	90.0°
C06	C08	C11	C12	179.7°	90.0°
C08	C06	C02	H2	0.3°	90.0°
C06	C08	C11	H5	0.3°	90.0°
IR07	N14	C28	C31	174.4°	90.0°
N14	IR07	N23	N10	82.0°	90.0°
N14	IR07	N23	C15	155.7°	90.0°
N14	IR07	N10	C15	164.3°	90.0°
N14	IR07	N23	C26	14.7°	90.0°
N14	IR07	N23	C21	157.4°	90.0°
N14	IR07	N10	C08	117.2°	90.0°
N14	IR07	N10	C13	70.1°	90.0°
N14	IR07	C15	C17	103.3°	90.0°
N14	IR07	C15	C18	96.0°	90.0°
IR07	N14	C28	H14	5.6°	90.0°
N14	C28	C31	H14	180.0°	90.0°
C28	N14	IR07	N23	104.9°	90.0°
C28	N14	IR07	N10	21.6°	90.0°
C28	N14	IR07	C15	19.9°	90.0°
N14	C28	C31	H16	173.0°	90.0°
C42	C43	C44	H25	180.0°	90.0°
C43	C42	C26	H24	180.0°	90.0°
C42	C43	C44	C45	1.1°	90.0°
C43	C42	C26	N23	177.0°	90.0°
C43	C42	C26	C22	0.5°	90.0°
C42	C43	C44	H26	178.9°	90.0°
C44	C43	C42	C26	1.0°	90.0°
C43	C44	C45	H26	180.0°	90.0°
C43	C44	C45	C22	0.8°	90.0°
C44	C43	C42	H24	179.0°	90.0°
C43	C44	C45	H27	179.2°	90.0°
C28	C31	C27	H13	179.3°	90.0°
C42	C26	N23	IR07	4.8°	90.0°
C42	C26	N23	C22	176.4°	90.0°
C42	C26	N23	C21	176.9°	90.0°
C42	C26	C22	C45	0.2°	90.0°
C42	C26	C22	C25	179.9°	90.0°
C26	C42	C43	H25	179.0°	90.0°
N23	IR07	N10	C15	71.7°	90.0°
IR07	N23	C26	C21	172.0°	90.0°
IR07	N23	C26	C22	178.8°	90.0°
N23	IR07	N10	C08	150.2°	90.0°
N23	IR07	N10	C13	22.5°	90.0°
N23	IR07	C15	C17	167.5°	90.0°
N23	IR07	C15	C18	6.9°	90.0°
IR07	N23	C21	C18	3.6°	90.0°
IR07	N23	C21	C24	179.5°	90.0°
N10	IR07	N23	C26	96.7°	90.0°
N10	IR07	N23	C21	75.4°	90.0°
IR07	N10	C08	C13	172.2°	90.0°
IR07	N10	C08	C11	179.3°	90.0°
N10	IR07	C15	C17	62.6°	90.0°
N10	IR07	C15	C18	136.8°	90.0°
IR07	N10	C13	C38	2.8°	90.0°
IR07	N10	C13	C09	177.7°	90.0°
C15	IR07	N23	C26	170.4°	90.0°
C15	IR07	N23	C21	1.7°	90.0°
C15	IR07	N10	C08	78.5°	90.0°
C15	IR07	N10	C13	94.2°	90.0°
IR07	C15	C17	C18	160.5°	90.0°
IR07	C15	C17	C20	173.0°	90.0°
IR07	C15	C18	C21	10.6°	90.0°
IR07	C15	C18	C19	175.6°	90.0°
IR07	C15	C17	H8	7.1°	90.0°
C44	C45	C22	C26	0.4°	90.0°
C44	C45	C22	H27	180.0°	90.0°
C44	C45	C22	C25	179.7°	90.0°
C45	C44	C43	H25	178.9°	90.0°
N23	C26	C22	C45	176.7°	90.0°
N23	C26	C22	C25	3.4°	90.0°
C26	N23	C21	C18	176.7°	90.0°
C26	N23	C21	C24	7.3°	90.0°
N23	C26	C42	H24	3.0°	90.0°
C22	C26	N23	C21	6.8°	90.0°
C26	C22	C45	C25	179.9°	90.0°
C26	C22	C25	C24	0.2°	90.0°
C26	C22	C25	H12	179.9°	90.0°
C22	C26	C42	H24	179.5°	90.0°
C26	C22	C45	H27	179.6°	90.0°
N23	C21	C18	C15	9.3°	90.0°
N23	C21	C18	C24	176.3°	90.0°
N23	C21	C18	C19	176.7°	90.0°
N23	C21	C24	C25	4.0°	90.0°
N23	C21	C24	H11	176.0°	90.0°
N10	C08	C11	C12	3.9°	90.0°
C08	N10	C13	C38	175.6°	90.0°
C08	N10	C13	C09	9.6°	90.0°
N10	C08	C11	H5	176.2°	90.0°
C11	C08	N10	C13	8.5°	90.0°
C08	C11	C12	H5	180.0°	90.0°
C08	C11	C12	C09	0.5°	90.0°
C08	C11	C12	H6	179.5°	90.0°
N10	C13	C38	C09	174.8°	90.0°
N10	C13	C38	C39	173.1°	90.0°
N10	C13	C09	C12	5.9°	90.0°
N10	C13	C09	C41	175.0°	90.0°
N10	C13	C38	H20	6.9°	90.0°
C15	C17	C20	H8	180.0°	90.0°
C17	C15	C18	C21	173.5°	90.0°
C17	C15	C18	C19	12.7°	90.0°
C15	C17	C20	C16	6.9°	90.0°
C15	C17	C20	H10	173.1°	90.0°
C20	C17	C15	C18	12.4°	90.0°
C17	C20	C16	H10	180.0°	90.0°
C17	C20	C16	C19	0.5°	90.0°
C17	C20	C16	H7	179.4°	90.0°
C45	C22	C25	C24	179.7°	90.0°
C45	C22	C25	H12	0.2°	90.0°
C22	C45	C44	H26	179.2°	90.0°
C15	C18	C21	C19	174.0°	90.0°
C15	C18	C21	C24	174.4°	90.0°
C15	C18	C19	C16	7.0°	90.0°
C18	C15	C17	H8	167.6°	90.0°
C15	C18	C19	H9	173.0°	90.0°
C22	C25	C24	C21	0.0°	90.0°
C22	C25	C24	H12	180.0°	90.0°
C22	C25	C24	H11	180.0°	90.0°
C25	C22	C45	H27	0.3°	90.0°
C18	C21	C24	C25	179.9°	90.0°
C21	C18	C19	C16	179.7°	90.0°
C21	C18	C19	H9	0.3°	90.0°
C18	C21	C24	H11	0.1°	90.0°
C24	C21	C18	C19	0.4°	90.0°
C21	C24	C25	H11	180.0°	90.0°
C21	C24	C25	H12	180.0°	90.0°
C11	C12	C09	C13	1.5°	90.0°
C11	C12	C09	H6	180.0°	90.0°
C11	C12	C09	C41	179.4°	90.0°
C18	C19	C16	C20	0.4°	90.0°
C18	C19	C16	H9	180.0°	90.0°
C18	C19	C16	H7	179.6°	90.0°
C20	C16	C19	H7	180.0°	90.0°
C16	C20	C17	H8	173.1°	90.0°
C20	C16	C19	H9	179.6°	90.0°
C13	C38	C39	H20	180.0°	90.0°
C38	C13	C09	C12	179.4°	90.0°
C38	C13	C09	C41	0.3°	90.0°
C13	C38	C39	C40	3.0°	90.0°
C13	C38	C39	H21	177.0°	90.0°
C09	C13	C38	C39	1.7°	90.0°
C13	C09	C12	C41	179.1°	90.0°
C13	C09	C41	C40	1.0°	90.0°
C13	C09	C12	H6	178.5°	90.0°
C09	C13	C38	H20	178.3°	90.0°
C13	C09	C41	H23	179.0°	90.0°
C19	C16	C20	H10	179.5°	90.0°
C38	C39	C40	H21	180.0°	90.0°
C38	C39	C40	C41	2.3°	90.0°
C38	C39	C40	H22	177.6°	90.0°
C12	C09	C41	C40	180.0°	90.0°
C09	C12	C11	H5	179.6°	90.0°
C12	C09	C41	H23	0.0°	90.0°
C09	C41	C40	C39	0.4°	90.0°
C09	C41	C40	H23	180.0°	90.0°
C41	C09	C12	H6	0.6°	90.0°
C09	C41	C40	H22	179.6°	90.0°
C39	C40	C41	H22	180.0°	90.0°
C40	C39	C38	H20	177.0°	90.0°
C39	C40	C41	H23	179.6°	90.0°
C41	C40	C39	H21	177.7°	90.0°
H1	C01	C04	H3	4.6°	90.0°
H2	C02	C05	H4	1.0°	90.0°
H3	C04	C05	H4	0.3°	90.0°
H5	C11	C12	H6	0.4°	90.0°
H7	C16	C19	H9	0.4°	90.0°
H7	C16	C20	H10	0.5°	90.0°
H8	C17	C20	H10	6.8°	90.0°
H11	C24	C25	H12	0.0°	90.0°
H13	C27	C30	H15	0.5°	90.0°
H13	C27	C31	H16	0.7°	90.0°
H14	C28	C31	H16	7.0°	90.0°
H17	C35	C36	H18	0.6°	90.0°
H20	C38	C39	H21	3.0°	90.0°
H21	C39	C40	H22	2.4°	90.0°
H22	C40	C41	H23	0.4°	90.0°
H24	C42	C43	H25	0.9°	90.0°
H25	C43	C44	H26	1.1°	90.0°
H26	C44	C45	H27	0.8°	90.0°
H28	C46	N47	H46	54.2°	90.0°
H29	C46	N47	H46	170.1°	90.0°
H30	C49	C50	H31	164.7°	90.0°
H30	C49	C50	H32	45.8°	90.0°
H30	C49	N52	H47	176.3°	90.0°
H33	C57	C58	H34	0.4°	90.0°
H35	C60	C61	H36	0.3°	90.0°
H37	C63	H38	H39	120.0°	90.0°
H40	C64	H41	H42	120.0°	90.0°
H43	C65	H44	H45	120.0°	90.0°

Release date:	2023-02-01
Definition date:	2022-10-25
Last modified:	2023-01-27
Release status:	REL
Processing site:	RCSB
Derived from:	8EWE