X2B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C60	C59	doub	0.00Å	1.39Å	Aromatic
C60	C56	sing	0.00Å	1.40Å	Aromatic
C64	C63	doub	0.00Å	1.41Å	Aromatic
C64	C65	sing	0.00Å	1.40Å	Aromatic
C59	N58	sing	0.00Å	1.35Å	Aromatic
C63	C54	sing	0.00Å	1.37Å	Aromatic
C65	C66	doub	0.00Å	1.40Å	Aromatic
N47	C48	sing	0.00Å	1.48Å
N47	C46	sing	0.00Å	1.49Å
C36	C35	doub	0.00Å	1.41Å	Aromatic
C36	C33	sing	0.00Å	1.41Å	Aromatic
C50	C49	sing	0.00Å	1.54Å
C50	C56	sing	0.00Å	1.55Å
C49	C48	sing	0.00Å	1.54Å
C49	N52	sing	0.00Å	1.45Å
C56	C61	doub	0.00Å	1.39Å	Aromatic
N58	C57	doub	0.00Å	1.35Å	Aromatic
C35	C32	sing	0.00Å	1.41Å	Aromatic
C48	O51	doub	0.00Å	1.20Å
C46	C33	sing	0.00Å	1.54Å
C20	C16	doub	0.00Å	1.40Å	Aromatic
C20	C17	sing	0.00Å	1.42Å	Aromatic
C33	C37	doub	0.00Å	1.41Å	Aromatic
C54	C53	sing	0.00Å	1.50Å
C54	C62	doub	0.00Å	1.38Å	Aromatic
C66	C62	sing	0.00Å	1.37Å	Aromatic
C16	C19	sing	0.00Å	1.41Å	Aromatic
C57	C61	sing	0.00Å	1.40Å	Aromatic
N52	C53	sing	0.00Å	1.47Å
C30	C27	doub	0.00Å	1.40Å	Aromatic
C30	C29	sing	0.00Å	1.41Å	Aromatic
C17	C15	doub	0.00Å	1.43Å	Aromatic
C53	O55	doub	0.00Å	1.20Å
C32	C29	sing	0.00Å	1.49Å
C32	N34	doub	0.00Å	1.34Å	Aromatic
C27	C31	sing	0.00Å	1.40Å	Aromatic
C37	N34	sing	0.00Å	1.36Å	Aromatic
C29	N14	doub	0.00Å	1.37Å	Aromatic
C19	C18	doub	0.00Å	1.43Å	Aromatic
N34	IR07	sing	0.00Å	2.08Å
C15	C18	sing	0.00Å	1.42Å	Aromatic
C15	IR07	sing	0.00Å	2.13Å
C31	C28	doub	0.00Å	1.41Å	Aromatic
C18	C21	sing	0.00Å	1.45Å
N14	C28	sing	0.00Å	1.36Å	Aromatic
N14	IR07	sing	0.00Å	2.09Å
IR07	C03	sing	0.00Å	2.07Å
IR07	N10	sing	0.00Å	2.08Å
IR07	N23	sing	0.00Å	2.05Å
C01	C03	doub	0.00Å	1.43Å	Aromatic
C01	C04	sing	0.00Å	1.40Å	Aromatic
C03	C06	sing	0.00Å	1.42Å	Aromatic
C04	C05	doub	0.00Å	1.41Å	Aromatic
C21	N23	doub	0.00Å	1.33Å	Aromatic
C21	C24	sing	0.00Å	1.40Å	Aromatic
C38	C39	doub	0.00Å	1.40Å	Aromatic
C38	C13	sing	0.00Å	1.40Å	Aromatic
N10	C13	doub	0.00Å	1.38Å	Aromatic
N10	C08	sing	0.00Å	1.35Å	Aromatic
C39	C40	sing	0.00Å	1.40Å	Aromatic
C13	C09	sing	0.00Å	1.41Å	Aromatic
C06	C08	sing	0.00Å	1.50Å
C06	C02	doub	0.00Å	1.43Å	Aromatic
C05	C02	sing	0.00Å	1.41Å	Aromatic
C08	C11	doub	0.00Å	1.41Å	Aromatic
N23	C26	sing	0.00Å	1.35Å	Aromatic
C40	C41	doub	0.00Å	1.40Å	Aromatic
C09	C41	sing	0.00Å	1.42Å	Aromatic
C09	C12	doub	0.00Å	1.40Å	Aromatic
C24	C25	doub	0.00Å	1.41Å	Aromatic
C11	C12	sing	0.00Å	1.41Å	Aromatic
C26	C42	doub	0.00Å	1.41Å	Aromatic
C26	C22	sing	0.00Å	1.39Å	Aromatic
C25	C22	sing	0.00Å	1.41Å	Aromatic
C42	C43	sing	0.00Å	1.39Å	Aromatic
C22	C45	doub	0.00Å	1.41Å	Aromatic
C43	C44	doub	0.00Å	1.40Å	Aromatic
C45	C44	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
C59	H34	sing	0.00Å	1.08Å
C60	H35	sing	0.00Å	1.08Å
C61	H36	sing	0.00Å	1.08Å
C62	H37	sing	0.00Å	1.08Å
C63	H38	sing	0.00Å	1.08Å
C64	H39	sing	0.00Å	1.08Å
C65	H40	sing	0.00Å	1.08Å
C66	H41	sing	0.00Å	1.08Å
N47	H42	sing	0.00Å	1.00Å
N52	H43	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C59	C60	C56	120.5°	90.0°
C60	C59	N58	120.5°	90.0°
C60	C59	H34	119.8°	90.0°
C59	C60	H35	119.7°	90.0°
C60	C56	C50	119.5°	90.0°
C60	C56	C61	118.3°	90.0°
C56	C60	H35	119.8°	90.0°
C63	C64	C65	120.8°	90.0°
C64	C63	C54	116.7°	90.0°
C64	C63	H38	121.7°	90.0°
C63	C64	H39	119.6°	90.0°
C64	C65	C66	120.7°	90.0°
C65	C64	H39	119.6°	90.0°
C64	C65	H40	119.7°	90.0°
C59	N58	C57	119.9°	90.0°
N58	C59	H34	119.7°	90.0°
C63	C54	C53	115.7°	90.0°
C63	C54	C62	123.1°	90.0°
C54	C63	H38	121.6°	90.0°
C65	C66	C62	118.5°	90.0°
C66	C65	H40	119.7°	90.0°
C65	C66	H41	120.8°	90.0°
C48	N47	C46	124.1°	90.0°
N47	C48	C49	132.1°	90.0°
N47	C48	O51	115.5°	90.0°
C48	N47	H42	117.9°	90.0°
N47	C46	C33	110.2°	90.0°
N47	C46	H28	109.3°	90.0°
N47	C46	H29	109.3°	90.0°
C46	N47	H42	117.9°	90.0°
C35	C36	C33	115.7°	90.0°
C36	C35	C32	122.1°	90.0°
C36	C35	H17	119.0°	90.0°
C35	C36	H18	122.2°	90.0°
C36	C33	C46	121.9°	90.0°
C36	C33	C37	118.8°	90.0°
C33	C36	H18	122.1°	90.0°
C49	C50	C56	114.6°	90.0°
C50	C49	C48	118.7°	90.0°
C50	C49	N52	97.9°	90.0°
C50	C49	H30	112.8°	90.0°
C49	C50	H31	108.2°	90.0°
C49	C50	H32	108.2°	90.0°
C50	C56	C61	122.2°	90.0°
C56	C50	H31	108.2°	90.0°
C56	C50	H32	108.2°	90.0°
C48	C49	N52	98.5°	90.0°
C49	C48	O51	112.4°	90.0°
C48	C49	H30	112.8°	90.0°
C49	N52	C53	133.5°	90.0°
N52	C49	H30	114.3°	90.0°
C49	N52	H43	113.3°	90.0°
C56	C61	C57	118.8°	90.0°
C56	C61	H36	120.6°	90.0°
N58	C57	C61	122.0°	90.0°
N58	C57	H33	119.0°	90.0°
C35	C32	C29	126.1°	90.0°
C35	C32	N34	121.5°	90.0°
C32	C35	H17	119.0°	90.0°
C46	C33	C37	119.2°	90.0°
C33	C46	H28	109.3°	90.0°
C33	C46	H29	109.3°	90.0°
C16	C20	C17	121.8°	90.0°
C20	C16	C19	116.3°	90.0°
C20	C16	H7	121.9°	90.0°
C16	C20	H10	119.1°	90.0°
C20	C17	C15	123.8°	90.0°
C20	C17	H8	118.1°	90.0°
C17	C20	H10	119.1°	90.0°
C33	C37	N34	124.9°	90.0°
C33	C37	H19	117.5°	90.0°
C53	C54	C62	121.2°	90.0°
C54	C53	N52	142.4°	90.0°
C54	C53	O55	103.4°	90.0°
C54	C62	C66	120.3°	90.0°
C54	C62	H37	119.9°	90.0°
C66	C62	H37	119.8°	90.0°
C62	C66	H41	120.8°	90.0°
C16	C19	C18	121.1°	90.0°
C19	C16	H7	121.8°	90.0°
C16	C19	H9	119.5°	90.0°
C61	C57	H33	119.0°	90.0°
C57	C61	H36	120.6°	90.0°
N52	C53	O55	114.1°	90.0°
C53	N52	H43	113.2°	90.0°
C27	C30	C29	120.8°	90.0°
C30	C27	C31	115.7°	90.0°
C30	C27	H13	122.1°	90.0°
C27	C30	H15	119.6°	90.0°
C30	C29	C32	123.0°	90.0°
C30	C29	N14	122.9°	90.0°
C29	C30	H15	119.6°	90.0°
C17	C15	C18	112.5°	90.0°
C17	C15	IR07	125.3°	90.0°
C15	C17	H8	118.1°	90.0°
C29	C32	N34	112.3°	90.0°
C32	C29	N14	114.1°	90.0°
C32	N34	C37	116.7°	90.0°
C32	N34	IR07	120.0°	90.0°
C27	C31	C28	121.0°	90.0°
C31	C27	H13	122.1°	90.0°
C27	C31	H16	119.5°	90.0°
C37	N34	IR07	122.8°	90.0°
N34	C37	H19	117.5°	90.0°
C29	N14	C28	116.2°	90.0°
C29	N14	IR07	117.7°	90.0°
C19	C18	C15	124.2°	90.0°
C19	C18	C21	126.2°	90.0°
C18	C19	H9	119.5°	90.0°
N34	IR07	C15	83.8°	90.0°
N34	IR07	N14	75.6°	90.0°
N34	IR07	C03	94.4°	90.0°
N34	IR07	N10	71.9°	90.0°
N34	IR07	N23	148.6°	90.0°
C18	C15	IR07	121.4°	90.0°
C15	C18	C21	109.5°	90.0°
C15	IR07	N14	76.4°	90.0°
C15	IR07	C03	92.6°	90.0°
C15	IR07	N10	153.9°	90.0°
C15	IR07	N23	70.5°	90.0°
C31	C28	N14	123.3°	90.0°
C31	C28	H14	118.3°	90.0°
C28	C31	H16	119.5°	90.0°
C18	C21	N23	111.4°	90.0°
C18	C21	C24	125.9°	90.0°
C28	N14	IR07	125.9°	90.0°
N14	C28	H14	118.3°	90.0°
N14	IR07	C03	165.8°	90.0°
N14	IR07	N10	105.6°	90.0°
N14	IR07	N23	80.9°	90.0°
C03	IR07	N10	80.2°	90.0°
C03	IR07	N23	104.3°	90.0°
IR07	C03	C01	125.9°	90.0°
IR07	C03	C06	113.8°	90.0°
N10	IR07	N23	135.6°	90.0°
IR07	N10	C13	126.5°	90.0°
IR07	N10	C08	115.9°	90.0°
IR07	N23	C21	126.9°	90.0°
IR07	N23	C26	115.1°	90.0°
C03	C01	C04	119.9°	90.0°
C01	C03	C06	120.3°	90.0°
C03	C01	H1	120.1°	90.0°
C01	C04	C05	121.1°	90.0°
C04	C01	H1	120.0°	90.0°
C01	C04	H3	119.4°	90.0°
C03	C06	C08	114.5°	90.0°
C03	C06	C02	118.2°	90.0°
C04	C05	C02	118.9°	90.0°
C05	C04	H3	119.4°	90.0°
C04	C05	H4	120.6°	90.0°
N23	C21	C24	122.6°	90.0°
C21	N23	C26	117.9°	90.0°
C21	C24	C25	119.3°	90.0°
C21	C24	H11	120.3°	90.0°
C39	C38	C13	125.9°	90.0°
C38	C39	C40	119.9°	90.0°
C39	C38	H20	117.0°	90.0°
C38	C39	H21	120.0°	90.0°
C38	C13	N10	122.7°	90.0°
C38	C13	C09	112.8°	90.0°
C13	C38	H20	117.0°	90.0°
C13	N10	C08	116.5°	90.0°
N10	C13	C09	124.4°	90.0°
N10	C08	C06	115.3°	90.0°
N10	C08	C11	121.3°	90.0°
C39	C40	C41	116.2°	90.0°
C40	C39	H21	120.0°	90.0°
C39	C40	H22	121.9°	90.0°
C13	C09	C41	122.9°	90.0°
C13	C09	C12	118.5°	90.0°
C08	C06	C02	127.3°	90.0°
C06	C08	C11	123.3°	90.0°
C06	C02	C05	121.6°	90.0°
C06	C02	H2	119.2°	90.0°
C05	C02	H2	119.2°	90.0°
C02	C05	H4	120.6°	90.0°
C08	C11	C12	122.2°	90.0°
C08	C11	H5	118.9°	90.0°
N23	C26	C42	118.5°	90.0°
N23	C26	C22	124.5°	90.0°
C40	C41	C09	122.2°	90.0°
C41	C40	H22	121.9°	90.0°
C40	C41	H23	118.9°	90.0°
C41	C09	C12	118.6°	90.0°
C09	C41	H23	118.9°	90.0°
C09	C12	C11	116.6°	90.0°
C09	C12	H6	121.7°	90.0°
C24	C25	C22	118.1°	90.0°
C25	C24	H11	120.3°	90.0°
C24	C25	H12	120.9°	90.0°
C12	C11	H5	118.9°	90.0°
C11	C12	H6	121.7°	90.0°
C42	C26	C22	117.0°	90.0°
C26	C42	C43	124.7°	90.0°
C26	C42	H24	117.6°	90.0°
C26	C22	C25	117.5°	90.0°
C26	C22	C45	120.4°	90.0°
C25	C22	C45	122.1°	90.0°
C22	C25	H12	121.0°	90.0°
C42	C43	C44	116.7°	90.0°
C43	C42	H24	117.7°	90.0°
C42	C43	H25	121.6°	90.0°
C22	C45	C44	120.2°	90.0°
C22	C45	H27	119.9°	90.0°
C43	C44	C45	120.9°	90.0°
C44	C43	H25	121.7°	90.0°
C43	C44	H26	119.5°	90.0°
C45	C44	H26	119.5°	90.0°
C44	C45	H27	119.9°	90.0°
H28	C46	H29	109.4°	90.0°
H31	C50	H32	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C59	C60	C56	H35	180.0°	90.0°
C60	C59	N58	H34	180.0°	90.0°
C59	C60	C56	C50	178.5°	90.0°
C59	C60	C56	C61	0.0°	90.0°
C60	C59	N58	C57	2.3°	90.0°
C56	C60	C59	N58	1.2°	90.0°
C60	C56	C50	C49	95.0°	90.0°
C60	C56	C50	C61	178.4°	90.0°
C60	C56	C61	C57	0.1°	90.0°
C60	C56	C50	H31	144.3°	90.0°
C60	C56	C50	H32	25.7°	90.0°
C56	C60	C59	H34	178.8°	90.0°
C60	C56	C61	H36	179.9°	90.0°
C63	C64	C65	H39	180.0°	90.0°
C64	C63	C54	H38	180.0°	90.0°
C63	C64	C65	C66	0.3°	90.0°
C64	C63	C54	C53	179.5°	90.0°
C64	C63	C54	C62	0.0°	90.0°
C63	C64	C65	H40	179.7°	90.0°
C65	C64	C63	C54	0.2°	90.0°
C64	C65	C66	H40	180.0°	90.0°
C64	C65	C66	C62	0.3°	90.0°
C65	C64	C63	H38	179.8°	90.0°
C64	C65	C66	H41	179.7°	90.0°
C59	N58	C57	C61	2.3°	90.0°
C59	N58	C57	H33	177.7°	90.0°
N58	C59	C60	H35	178.7°	90.0°
C63	C54	C53	C62	179.6°	90.0°
C63	C54	C62	C66	0.0°	90.0°
C63	C54	C53	N52	9.2°	90.0°
C63	C54	C53	O55	174.1°	90.0°
C63	C54	C62	H37	180.0°	90.0°
C54	C63	C64	H39	179.9°	90.0°
C65	C66	C62	C54	0.2°	90.0°
C65	C66	C62	H41	180.0°	90.0°
C65	C66	C62	H37	179.8°	90.0°
C66	C65	C64	H39	179.7°	90.0°
C48	N47	C46	H42	180.0°	90.0°
N47	C48	C49	C50	135.0°	90.0°
N47	C48	C49	O51	178.6°	90.0°
N47	C48	C49	N52	121.2°	90.0°
C48	N47	C46	C33	120.4°	90.0°
C48	N47	C46	H28	119.5°	90.0°
C48	N47	C46	H29	0.3°	90.0°
N47	C48	C49	H30	0.2°	90.0°
N47	C46	C33	C36	95.8°	90.0°
C46	N47	C48	C49	177.5°	90.0°
C46	N47	C48	O51	1.0°	90.0°
N47	C46	C33	H28	120.1°	90.0°
N47	C46	C33	H29	120.1°	90.0°
N47	C46	C33	C37	80.5°	90.0°
N47	C46	H28	H29	119.7°	90.0°
C35	C36	C33	H18	180.0°	90.0°
C36	C35	C32	H17	180.0°	90.0°
C35	C36	C33	C46	177.5°	90.0°
C35	C36	C33	C37	1.1°	90.0°
C36	C35	C32	C29	179.7°	90.0°
C36	C35	C32	N34	2.4°	90.0°
C33	C36	C35	C32	0.3°	90.0°
C36	C33	C46	C37	176.4°	90.0°
C36	C33	C37	N34	4.5°	90.0°
C33	C36	C35	H17	179.8°	90.0°
C36	C33	C37	H19	175.5°	90.0°
C36	C33	C46	H28	24.3°	90.0°
C36	C33	C46	H29	144.0°	90.0°
C49	C50	C56	H31	120.7°	90.0°
C49	C50	C56	H32	120.7°	90.0°
C50	C49	C48	N52	103.8°	90.0°
C50	C49	C48	H30	135.2°	90.0°
C50	C49	N52	H30	119.4°	90.0°
C49	C50	C56	C61	86.6°	90.0°
C50	C49	C48	O51	46.5°	90.0°
C50	C49	N52	C53	114.9°	90.0°
C49	C50	H31	H32	117.6°	90.0°
C50	C49	N52	H43	65.1°	90.0°
C56	C50	C49	C48	159.6°	90.0°
C56	C50	C49	N52	55.4°	90.0°
C50	C56	C61	C57	178.5°	90.0°
C56	C50	C49	H30	65.2°	90.0°
C56	C50	H31	H32	117.7°	90.0°
C50	C56	C60	H35	1.5°	90.0°
C50	C56	C61	H36	1.5°	90.0°
C48	C49	N52	H30	119.9°	90.0°
C48	C49	N52	C53	124.4°	90.0°
C48	C49	C50	H31	38.8°	90.0°
C48	C49	C50	H32	79.6°	90.0°
C49	C48	N47	H42	2.5°	90.0°
C48	C49	N52	H43	55.6°	90.0°
N52	C49	C48	O51	57.4°	90.0°
C49	N52	C53	C54	1.3°	90.0°
C49	N52	C53	H43	180.0°	90.0°
C49	N52	C53	O55	177.8°	90.0°
N52	C49	C50	H31	65.3°	90.0°
N52	C49	C50	H32	176.2°	90.0°
C56	C61	C57	N58	1.0°	90.0°
C56	C61	C57	H36	180.0°	90.0°
C61	C56	C50	H31	34.2°	90.0°
C61	C56	C50	H32	152.7°	90.0°
C56	C61	C57	H33	179.0°	90.0°
C61	C56	C60	H35	180.0°	90.0°
N58	C57	C61	H33	180.0°	90.0°
C57	N58	C59	H34	177.7°	90.0°
N58	C57	C61	H36	178.9°	90.0°
C35	C32	C29	C30	0.0°	90.0°
C35	C32	C29	N34	177.4°	90.0°
C35	C32	N34	C37	5.3°	90.0°
C35	C32	C29	N14	178.7°	90.0°
C35	C32	N34	IR07	177.3°	90.0°
C32	C35	C36	H18	179.7°	90.0°
O51	C48	C49	H30	178.3°	90.0°
O51	C48	N47	H42	179.0°	90.0°
C46	C33	C37	N34	179.1°	90.0°
C46	C33	C36	H18	2.4°	90.0°
C46	C33	C37	H19	1.0°	90.0°
C33	C46	H28	H29	119.7°	90.0°
C33	C46	N47	H42	59.6°	90.0°
C16	C20	C17	H10	180.0°	90.0°
C20	C16	C19	H7	180.0°	90.0°
C16	C20	C17	C15	3.7°	90.0°
C20	C16	C19	C18	0.1°	90.0°
C16	C20	C17	H8	176.4°	90.0°
C20	C16	C19	H9	179.9°	90.0°
C17	C20	C16	C19	0.2°	90.0°
C20	C17	C15	H8	180.0°	90.0°
C20	C17	C15	C18	6.3°	90.0°
C20	C17	C15	IR07	176.4°	90.0°
C17	C20	C16	H7	179.7°	90.0°
C33	C37	N34	C32	6.5°	90.0°
C33	C37	N34	H19	180.0°	90.0°
C33	C37	N34	IR07	178.2°	90.0°
C37	C33	C36	H18	178.8°	90.0°
C37	C33	C46	H28	159.4°	90.0°
C37	C33	C46	H29	39.6°	90.0°
C53	C54	C62	C66	179.5°	90.0°
C54	C53	N52	O55	176.5°	90.0°
C53	C54	C62	H37	0.5°	90.0°
C53	C54	C63	H38	0.4°	90.0°
C54	C53	N52	H43	178.7°	90.0°
C54	C62	C66	H37	180.0°	90.0°
C62	C54	C53	N52	170.4°	90.0°
C62	C54	C53	O55	6.3°	90.0°
C62	C54	C63	H38	180.0°	90.0°
C54	C62	C66	H41	179.9°	90.0°
C62	C66	C65	H40	179.7°	90.0°
C16	C19	C18	H9	180.0°	90.0°
C16	C19	C18	C15	3.4°	90.0°
C16	C19	C18	C21	179.7°	90.0°
C19	C16	C20	H10	179.8°	90.0°
C53	N52	C49	H30	4.5°	90.0°
C27	C30	C29	H15	180.0°	90.0°
C27	C30	C29	C32	179.9°	90.0°
C30	C27	C31	H13	180.0°	90.0°
C27	C30	C29	N14	1.3°	90.0°
C30	C27	C31	C28	0.5°	90.0°
C30	C27	C31	H16	179.5°	90.0°
C30	C29	C32	N14	178.8°	90.0°
C30	C29	C32	N34	177.5°	90.0°
C29	C30	C27	C31	0.3°	90.0°
C30	C29	N14	C28	2.6°	90.0°
C30	C29	N14	IR07	178.3°	90.0°
C29	C30	C27	H13	179.7°	90.0°
C17	C15	C18	C19	6.1°	90.0°
C17	C15	IR07	N34	12.2°	90.0°
C17	C15	C18	IR07	170.6°	90.0°
C17	C15	C18	C21	176.5°	90.0°
C17	C15	IR07	N14	88.8°	90.0°
C17	C15	IR07	C03	81.9°	90.0°
C17	C15	IR07	N10	9.0°	90.0°
C17	C15	IR07	N23	173.8°	90.0°
C15	C17	C20	H10	176.3°	90.0°
O55	C53	N52	H43	2.2°	90.0°
C29	C32	N34	C37	177.1°	90.0°
C29	C32	N34	IR07	5.1°	90.0°
C32	C29	N14	C28	178.6°	90.0°
C32	C29	N14	IR07	3.0°	90.0°
C32	C29	C30	H15	0.1°	90.0°
C29	C32	C35	H17	0.3°	90.0°
C32	N34	C37	IR07	171.8°	90.0°
N34	C32	C29	N14	1.3°	90.0°
C32	N34	IR07	C15	72.4°	90.0°
C32	N34	IR07	N14	5.2°	90.0°
C32	N34	IR07	C03	164.5°	90.0°
C32	N34	IR07	N10	117.3°	90.0°
C32	N34	IR07	N23	37.6°	90.0°
N34	C32	C35	H17	177.6°	90.0°
C32	N34	C37	H19	173.5°	90.0°
C27	C31	C28	H16	180.0°	90.0°
C27	C31	C28	N14	1.0°	90.0°
C27	C31	C28	H14	179.0°	90.0°
C31	C27	C30	H15	179.7°	90.0°
C37	N34	IR07	C15	99.2°	90.0°
C37	N34	IR07	N14	176.7°	90.0°
C37	N34	IR07	C03	7.0°	90.0°
C37	N34	IR07	N10	71.2°	90.0°
C37	N34	IR07	N23	133.9°	90.0°
C29	N14	IR07	N34	4.2°	90.0°
C29	N14	IR07	C15	82.8°	90.0°
C29	N14	C28	C31	2.5°	90.0°
C29	N14	C28	IR07	175.3°	90.0°
C29	N14	IR07	C03	42.0°	90.0°
C29	N14	IR07	N10	70.3°	90.0°
C29	N14	IR07	N23	154.7°	90.0°
C29	N14	C28	H14	177.5°	90.0°
N14	C29	C30	H15	178.7°	90.0°
C19	C18	C15	C21	177.4°	90.0°
C19	C18	C15	IR07	176.7°	90.0°
C19	C18	C21	N23	179.1°	90.0°
C19	C18	C21	C24	0.1°	90.0°
C18	C19	C16	H7	179.9°	90.0°
N34	IR07	C15	C18	157.1°	90.0°
N34	IR07	C15	N14	76.6°	90.0°
N34	IR07	C15	C03	94.1°	90.0°
N34	IR07	C15	N10	21.2°	90.0°
N34	IR07	C15	N23	161.6°	90.0°
N34	IR07	N14	C28	179.4°	90.0°
N34	IR07	N14	C03	46.2°	90.0°
N34	IR07	N14	N10	66.1°	90.0°
N34	IR07	N14	N23	159.0°	90.0°
N34	IR07	C03	N10	70.7°	90.0°
N34	IR07	C03	N23	154.5°	90.0°
N34	IR07	N10	N23	161.6°	90.0°
N34	IR07	C03	C01	105.4°	90.0°
N34	IR07	C03	C06	72.5°	90.0°
N34	IR07	N23	C21	34.5°	90.0°
N34	IR07	N10	C13	89.4°	90.0°
N34	IR07	N10	C08	102.6°	90.0°
N34	IR07	N23	C26	146.9°	90.0°
IR07	N34	C37	H19	1.7°	90.0°
C18	C15	IR07	N14	80.5°	90.0°
C18	C15	IR07	C03	108.8°	90.0°
C18	C15	IR07	N10	178.3°	90.0°
C18	C15	IR07	N23	4.5°	90.0°
C15	C18	C21	N23	3.6°	90.0°
C15	C18	C21	C24	177.2°	90.0°
C18	C15	C17	H8	173.8°	90.0°
C15	C18	C19	H9	176.6°	90.0°
IR07	C15	C18	C21	5.9°	90.0°
C15	IR07	N14	C28	92.4°	90.0°
C15	IR07	N14	C03	40.8°	90.0°
C15	IR07	N14	N10	153.1°	90.0°
C15	IR07	N14	N23	72.0°	90.0°
C15	IR07	C03	N10	154.7°	90.0°
C15	IR07	C03	N23	70.5°	90.0°
C15	IR07	N10	N23	176.2°	90.0°
C15	IR07	C03	C01	21.4°	90.0°
C15	IR07	C03	C06	156.5°	90.0°
C15	IR07	N23	C21	2.4°	90.0°
C15	IR07	N10	C13	111.6°	90.0°
C15	IR07	N10	C08	80.4°	90.0°
C15	IR07	N23	C26	176.1°	90.0°
IR07	C15	C17	H8	3.6°	90.0°
C31	C28	N14	H14	180.0°	90.0°
C31	C28	N14	IR07	177.7°	90.0°
C28	C31	C27	H13	179.5°	90.0°
C18	C21	N23	IR07	0.0°	90.0°
C18	C21	N23	C24	179.2°	90.0°
C18	C21	N23	C26	178.5°	90.0°
C18	C21	C24	C25	179.4°	90.0°
C21	C18	C19	H9	0.3°	90.0°
C18	C21	C24	H11	0.6°	90.0°
C28	N14	IR07	C03	133.2°	90.0°
C28	N14	IR07	N10	114.5°	90.0°
C28	N14	IR07	N23	20.4°	90.0°
N14	C28	C31	H16	179.0°	90.0°
N14	IR07	C03	N10	115.3°	90.0°
N14	IR07	C03	N23	110.0°	90.0°
N14	IR07	N10	N23	92.9°	90.0°
N14	IR07	C03	C01	60.8°	90.0°
N14	IR07	C03	C06	117.0°	90.0°
N14	IR07	N23	C21	76.4°	90.0°
N14	IR07	N10	C13	20.7°	90.0°
N14	IR07	N10	C08	171.3°	90.0°
N14	IR07	N23	C26	105.1°	90.0°
IR07	N14	C28	H14	2.3°	90.0°
C03	IR07	N10	N23	100.4°	90.0°
IR07	C03	C01	C06	177.7°	90.0°
IR07	C03	C01	C04	179.8°	90.0°
C03	IR07	N23	C21	90.1°	90.0°
C03	IR07	N10	C13	172.7°	90.0°
C03	IR07	N10	C08	4.7°	90.0°
IR07	C03	C06	C08	1.1°	90.0°
IR07	C03	C06	C02	179.1°	90.0°
C03	IR07	N23	C26	88.4°	90.0°
IR07	C03	C01	H1	0.2°	90.0°
N10	IR07	C03	C01	176.1°	90.0°
N10	IR07	C03	C06	1.7°	90.0°
N10	IR07	N23	C21	179.4°	90.0°
IR07	N10	C13	C38	7.5°	90.0°
IR07	N10	C13	C08	167.9°	90.0°
IR07	N10	C13	C09	176.8°	90.0°
IR07	N10	C08	C06	6.6°	90.0°
IR07	N10	C08	C11	178.3°	90.0°
N10	IR07	N23	C26	2.1°	90.0°
N23	IR07	C03	C01	49.1°	90.0°
N23	IR07	C03	C06	133.0°	90.0°
IR07	N23	C21	C26	178.5°	90.0°
IR07	N23	C21	C24	179.2°	90.0°
N23	IR07	N10	C13	72.2°	90.0°
N23	IR07	N10	C08	95.8°	90.0°
IR07	N23	C26	C42	0.2°	90.0°
IR07	N23	C26	C22	179.5°	90.0°
C03	C01	C04	H1	180.0°	90.0°
C03	C01	C04	C05	2.4°	90.0°
C01	C03	C06	C08	179.1°	90.0°
C01	C03	C06	C02	1.1°	90.0°
C03	C01	C04	H3	177.6°	90.0°
C04	C01	C03	C06	2.1°	90.0°
C01	C04	C05	H3	180.0°	90.0°
C01	C04	C05	C02	1.8°	90.0°
C01	C04	C05	H4	178.2°	90.0°
C03	C06	C08	N10	5.0°	90.0°
C03	C06	C08	C02	179.8°	90.0°
C03	C06	C02	C05	0.5°	90.0°
C03	C06	C08	C11	179.9°	90.0°
C06	C03	C01	H1	178.0°	90.0°
C03	C06	C02	H2	179.5°	90.0°
C04	C05	C02	C06	0.8°	90.0°
C04	C05	C02	H4	180.0°	90.0°
C05	C04	C01	H1	177.6°	90.0°
C04	C05	C02	H2	179.2°	90.0°
N23	C21	C24	C25	1.4°	90.0°
C21	N23	C26	C42	178.9°	90.0°
C21	N23	C26	C22	1.9°	90.0°
N23	C21	C24	H11	178.5°	90.0°
C24	C21	N23	C26	2.3°	90.0°
C21	C24	C25	H11	180.0°	90.0°
C21	C24	C25	C22	0.1°	90.0°
C21	C24	C25	H12	179.9°	90.0°
C39	C38	C13	H20	180.0°	90.0°
C39	C38	C13	N10	176.2°	90.0°
C38	C39	C40	H21	180.0°	90.0°
C39	C38	C13	C09	0.1°	90.0°
C38	C39	C40	C41	0.0°	90.0°
C38	C39	C40	H22	180.0°	90.0°
C38	C13	N10	C09	175.6°	90.0°
C38	C13	N10	C08	175.4°	90.0°
C13	C38	C39	C40	0.3°	90.0°
C38	C13	C09	C41	0.4°	90.0°
C38	C13	C09	C12	179.7°	90.0°
C13	C38	C39	H21	179.7°	90.0°
C13	N10	C08	C06	175.8°	90.0°
C13	N10	C08	C11	9.1°	90.0°
N10	C13	C09	C41	175.6°	90.0°
N10	C13	C09	C12	4.3°	90.0°
N10	C13	C38	H20	3.8°	90.0°
C08	N10	C13	C09	8.9°	90.0°
N10	C08	C06	C11	175.0°	90.0°
N10	C08	C06	C02	175.1°	90.0°
N10	C08	C11	C12	5.1°	90.0°
N10	C08	C11	H5	174.9°	90.0°
C39	C40	C41	H22	180.0°	90.0°
C39	C40	C41	C09	0.5°	90.0°
C40	C39	C38	H20	179.7°	90.0°
C39	C40	C41	H23	179.5°	90.0°
C13	C09	C41	C40	0.7°	90.0°
C13	C09	C41	C12	179.9°	90.0°
C13	C09	C12	C11	0.2°	90.0°
C13	C09	C12	H6	179.8°	90.0°
C09	C13	C38	H20	179.9°	90.0°
C13	C09	C41	H23	179.3°	90.0°
C08	C06	C02	C05	179.7°	90.0°
C06	C08	C11	C12	179.9°	90.0°
C08	C06	C02	H2	0.3°	90.0°
C06	C08	C11	H5	0.1°	90.0°
C06	C02	C05	H2	180.0°	90.0°
C02	C06	C08	C11	0.1°	90.0°
C06	C02	C05	H4	179.2°	90.0°
C02	C05	C04	H3	178.2°	90.0°
C08	C11	C12	C09	0.2°	90.0°
C08	C11	C12	H5	180.0°	90.0°
C08	C11	C12	H6	179.8°	90.0°
N23	C26	C42	C22	179.3°	90.0°
N23	C26	C22	C25	0.6°	90.0°
N23	C26	C42	C43	178.8°	90.0°
N23	C26	C22	C45	178.9°	90.0°
N23	C26	C42	H24	1.2°	90.0°
C40	C41	C09	H23	180.0°	90.0°
C40	C41	C09	C12	179.4°	90.0°
C41	C40	C39	H21	180.0°	90.0°
C41	C09	C12	C11	179.8°	90.0°
C41	C09	C12	H6	0.1°	90.0°
C09	C41	C40	H22	179.5°	90.0°
C09	C12	C11	H6	180.0°	90.0°
C09	C12	C11	H5	179.8°	90.0°
C12	C09	C41	H23	0.6°	90.0°
C24	C25	C22	C26	0.3°	90.0°
C24	C25	C22	H12	180.0°	90.0°
C24	C25	C22	C45	179.8°	90.0°
C42	C26	C22	C25	179.9°	90.0°
C26	C42	C43	H24	180.0°	90.0°
C42	C26	C22	C45	0.4°	90.0°
C26	C42	C43	C44	0.6°	90.0°
C26	C42	C43	H25	179.4°	90.0°
C26	C22	C25	C45	179.5°	90.0°
C22	C26	C42	C43	0.4°	90.0°
C26	C22	C45	C44	0.5°	90.0°
C26	C22	C25	H12	179.7°	90.0°
C22	C26	C42	H24	179.5°	90.0°
C26	C22	C45	H27	179.5°	90.0°
C25	C22	C45	C44	180.0°	90.0°
C22	C25	C24	H11	179.9°	90.0°
C25	C22	C45	H27	0.0°	90.0°
C42	C43	C44	H25	180.0°	90.0°
C42	C43	C44	C45	0.7°	90.0°
C42	C43	C44	H26	179.3°	90.0°
C22	C45	C44	C43	0.7°	90.0°
C22	C45	C44	H27	180.0°	90.0°
C45	C22	C25	H12	0.2°	90.0°
C22	C45	C44	H26	179.3°	90.0°
C43	C44	C45	H26	180.0°	90.0°
C44	C43	C42	H24	179.4°	90.0°
C43	C44	C45	H27	179.3°	90.0°
C45	C44	C43	H25	179.3°	90.0°
H1	C01	C04	H3	2.4°	90.0°
H2	C02	C05	H4	0.8°	90.0°
H3	C04	C05	H4	1.8°	90.0°
H5	C11	C12	H6	0.2°	90.0°
H7	C16	C19	H9	0.1°	90.0°
H7	C16	C20	H10	0.3°	90.0°
H8	C17	C20	H10	3.6°	90.0°
H11	C24	C25	H12	0.1°	90.0°
H13	C27	C30	H15	0.3°	90.0°
H13	C27	C31	H16	0.5°	90.0°
H14	C28	C31	H16	1.0°	90.0°
H17	C35	C36	H18	0.3°	90.0°
H20	C38	C39	H21	0.3°	90.0°
H21	C39	C40	H22	0.0°	90.0°
H22	C40	C41	H23	0.5°	90.0°
H24	C42	C43	H25	0.6°	90.0°
H25	C43	C44	H26	0.7°	90.0°
H26	C44	C45	H27	0.7°	90.0°
H28	C46	N47	H42	60.5°	90.0°
H29	C46	N47	H42	179.7°	90.0°
H30	C49	C50	H31	174.1°	90.0°
H30	C49	C50	H32	55.6°	90.0°
H30	C49	N52	H43	175.5°	90.0°
H33	C57	C61	H36	1.0°	90.0°
H34	C59	C60	H35	1.2°	90.0°
H37	C62	C66	H41	0.2°	90.0°
H38	C63	C64	H39	0.1°	90.0°
H39	C64	C65	H40	0.3°	90.0°
H40	C65	C66	H41	0.3°	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:	8EWQ