X1C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C45	C44	doub	0.00Å	1.41Å	Aromatic
C45	C46	sing	0.00Å	1.41Å	Aromatic
C44	C43	sing	0.00Å	1.41Å	Aromatic
C46	C22	doub	0.00Å	1.41Å	Aromatic
C43	C26	doub	0.00Å	1.41Å	Aromatic
C30	C27	doub	0.00Å	1.40Å	Aromatic
C30	C29	sing	0.00Å	1.40Å	Aromatic
C35	C36	doub	0.00Å	1.38Å	Aromatic
C35	C32	sing	0.00Å	1.40Å	Aromatic
C27	C31	sing	0.00Å	1.41Å	Aromatic
C36	C33	sing	0.00Å	1.40Å	Aromatic
C54	C53	doub	0.00Å	1.38Å	Aromatic
C54	N55	sing	0.00Å	1.34Å	Aromatic
C53	C51	sing	0.00Å	1.38Å	Aromatic
C22	C26	sing	0.00Å	1.42Å	Aromatic
C22	C25	sing	0.00Å	1.41Å	Aromatic
O52	C48	doub	0.00Å	1.21Å
C29	C32	sing	0.00Å	1.41Å
C29	N14	doub	0.00Å	1.32Å	Aromatic
C26	N23	sing	0.00Å	1.38Å	Aromatic
C32	N34	doub	0.00Å	1.34Å	Aromatic
C31	C28	doub	0.00Å	1.39Å	Aromatic
C33	C38	sing	0.00Å	1.54Å
C33	C37	doub	0.00Å	1.42Å	Aromatic
C25	C24	doub	0.00Å	1.41Å	Aromatic
N55	C56	doub	0.00Å	1.35Å	Aromatic
C38	N47	sing	0.00Å	1.48Å
C51	C50	sing	0.00Å	1.52Å
C51	C57	doub	0.00Å	1.37Å	Aromatic
N14	C28	sing	0.00Å	1.35Å	Aromatic
N14	IR07	sing	0.00Å	2.02Å
N34	C37	sing	0.00Å	1.35Å	Aromatic
N34	IR07	sing	0.00Å	2.03Å
C48	N47	sing	0.00Å	1.48Å
C48	C49	sing	0.00Å	1.52Å
C50	C49	sing	0.00Å	1.53Å
N23	C21	doub	0.00Å	1.36Å	Aromatic
N23	IR07	sing	0.00Å	1.98Å
C56	C57	sing	0.00Å	1.39Å	Aromatic
C24	C21	sing	0.00Å	1.40Å	Aromatic
C21	C18	sing	0.00Å	1.51Å
C01	C04	doub	0.00Å	1.41Å	Aromatic
C01	C03	sing	0.00Å	1.43Å	Aromatic
IR07	C03	sing	0.00Å	1.97Å
IR07	N10	sing	0.00Å	1.96Å
IR07	C15	sing	0.00Å	1.95Å
C04	C05	sing	0.00Å	1.40Å	Aromatic
C03	C06	doub	0.00Å	1.43Å	Aromatic
C39	C40	doub	0.00Å	1.41Å	Aromatic
C39	C13	sing	0.00Å	1.41Å	Aromatic
C05	C02	doub	0.00Å	1.42Å	Aromatic
N10	C13	doub	0.00Å	1.37Å	Aromatic
N10	C08	sing	0.00Å	1.37Å	Aromatic
C18	C15	doub	0.00Å	1.42Å	Aromatic
C18	C19	sing	0.00Å	1.40Å	Aromatic
C06	C02	sing	0.00Å	1.42Å	Aromatic
C06	C08	sing	0.00Å	1.54Å
C40	C41	sing	0.00Å	1.41Å	Aromatic
C15	C17	sing	0.00Å	1.40Å	Aromatic
C13	C09	sing	0.00Å	1.42Å	Aromatic
C08	C11	doub	0.00Å	1.41Å	Aromatic
C19	C16	doub	0.00Å	1.42Å	Aromatic
C41	C42	doub	0.00Å	1.40Å	Aromatic
C09	C42	sing	0.00Å	1.41Å	Aromatic
C09	C12	doub	0.00Å	1.42Å	Aromatic
C11	C12	sing	0.00Å	1.43Å	Aromatic
C17	C20	doub	0.00Å	1.40Å	Aromatic
C16	C20	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	1.10Å
C38	H21	sing	0.00Å	1.10Å
C39	H22	sing	0.00Å	1.08Å
C40	H23	sing	0.00Å	1.08Å
C41	H24	sing	0.00Å	1.08Å
C42	H25	sing	0.00Å	1.08Å
C43	H26	sing	0.00Å	1.08Å
C44	H27	sing	0.00Å	1.08Å
C45	H28	sing	0.00Å	1.08Å
C46	H29	sing	0.00Å	1.08Å
C49	H30	sing	0.00Å	1.10Å
C49	H31	sing	0.00Å	1.10Å
C50	H32	sing	0.00Å	1.10Å
C50	H33	sing	0.00Å	1.10Å
C53	H34	sing	0.00Å	1.08Å
C54	H35	sing	0.00Å	1.08Å
C56	H36	sing	0.00Å	1.08Å
C57	H37	sing	0.00Å	1.08Å
N47	H38	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C44	C45	C46	117.9°	90.0°
C45	C44	C43	119.9°	90.0°
C45	C44	H27	120.1°	90.0°
C44	C45	H28	121.1°	90.0°
C45	C46	C22	120.7°	90.0°
C46	C45	H28	121.0°	90.0°
C45	C46	H29	119.7°	90.0°
C44	C43	C26	124.4°	90.0°
C44	C43	H26	117.8°	90.0°
C43	C44	H27	120.1°	90.0°
C46	C22	C26	123.0°	90.0°
C46	C22	C25	117.4°	90.0°
C22	C46	H29	119.7°	90.0°
C43	C26	C22	114.2°	90.0°
C43	C26	N23	123.4°	90.0°
C26	C43	H26	117.8°	90.0°
C27	C30	C29	119.4°	90.0°
C30	C27	C31	115.5°	90.0°
C30	C27	H13	122.2°	90.0°
C27	C30	H15	120.3°	90.0°
C30	C29	C32	127.9°	90.0°
C30	C29	N14	127.0°	90.0°
C29	C30	H15	120.3°	90.0°
C36	C35	C32	116.9°	90.0°
C35	C36	C33	115.8°	90.0°
C36	C35	H17	121.6°	90.0°
C35	C36	H18	122.1°	90.0°
C35	C32	C29	122.0°	90.0°
C35	C32	N34	130.2°	90.0°
C32	C35	H17	121.5°	90.0°
C27	C31	C28	118.7°	90.0°
C31	C27	H13	122.2°	90.0°
C27	C31	H16	120.6°	90.0°
C36	C33	C38	115.6°	90.0°
C36	C33	C37	122.5°	90.0°
C33	C36	H18	122.1°	90.0°
C53	C54	N55	123.3°	90.0°
C54	C53	C51	114.2°	90.0°
C54	C53	H34	122.9°	90.0°
C53	C54	H35	118.4°	90.0°
C54	N55	C56	119.5°	90.0°
N55	C54	H35	118.3°	90.0°
C53	C51	C50	125.2°	90.0°
C53	C51	C57	125.6°	90.0°
C51	C53	H34	122.9°	90.0°
C26	C22	C25	119.5°	90.0°
C22	C26	N23	122.4°	90.0°
C22	C25	C24	117.0°	90.0°
C22	C25	H12	121.5°	90.0°
O52	C48	N47	116.5°	90.0°
O52	C48	C49	106.7°	90.0°
C32	C29	N14	105.1°	90.0°
C29	C32	N34	107.7°	90.0°
C29	N14	C28	111.9°	90.0°
C29	N14	IR07	132.7°	90.0°
C26	N23	C21	117.8°	90.0°
C26	N23	IR07	133.4°	90.0°
C32	N34	C37	112.2°	90.0°
C32	N34	IR07	129.7°	90.0°
C31	C28	N14	127.5°	90.0°
C31	C28	H14	116.3°	90.0°
C28	C31	H16	120.7°	90.0°
C38	C33	C37	121.9°	90.0°
C33	C38	N47	114.6°	90.0°
C33	C38	H20	108.2°	90.0°
C33	C38	H21	108.2°	90.0°
C33	C37	N34	122.2°	90.0°
C33	C37	H19	118.9°	90.0°
C25	C24	C21	121.1°	90.0°
C25	C24	H11	119.5°	90.0°
C24	C25	H12	121.5°	90.0°
N55	C56	C57	122.5°	90.0°
N55	C56	H36	118.8°	90.0°
C38	N47	C48	120.5°	90.0°
N47	C38	H20	108.2°	90.0°
N47	C38	H21	108.2°	90.0°
C38	N47	H38	119.8°	90.0°
C50	C51	C57	109.1°	90.0°
C51	C50	C49	118.7°	90.0°
C51	C50	H32	107.1°	90.0°
C51	C50	H33	107.1°	90.0°
C51	C57	C56	114.8°	90.0°
C51	C57	H37	122.6°	90.0°
C28	N14	IR07	115.2°	90.0°
N14	C28	H14	116.3°	90.0°
N14	IR07	N34	64.6°	90.0°
N14	IR07	N23	110.8°	90.0°
N14	IR07	C03	104.3°	90.0°
N14	IR07	N10	79.1°	90.0°
N14	IR07	C15	155.7°	90.0°
C37	N34	IR07	117.7°	90.0°
N34	C37	H19	118.9°	90.0°
N34	IR07	N23	79.9°	90.0°
N34	IR07	C03	153.4°	90.0°
N34	IR07	N10	110.5°	90.0°
N34	IR07	C15	107.8°	90.0°
N47	C48	C49	136.8°	90.0°
C48	N47	H38	119.7°	90.0°
C48	C49	C50	106.6°	90.0°
C48	C49	H30	110.2°	90.0°
C48	C49	H31	110.2°	90.0°
C50	C49	H30	110.2°	90.0°
C50	C49	H31	110.2°	90.0°
C49	C50	H32	107.1°	90.0°
C49	C50	H33	107.1°	90.0°
C21	N23	IR07	108.8°	90.0°
N23	C21	C24	122.1°	90.0°
N23	C21	C18	117.3°	90.0°
N23	IR07	C03	82.3°	90.0°
N23	IR07	N10	168.4°	90.0°
N23	IR07	C15	89.2°	90.0°
C57	C56	H36	118.7°	90.0°
C56	C57	H37	122.6°	90.0°
C24	C21	C18	120.7°	90.0°
C21	C24	H11	119.5°	90.0°
C21	C18	C15	116.2°	90.0°
C21	C18	C19	124.0°	90.0°
C04	C01	C03	121.9°	90.0°
C01	C04	C05	118.4°	90.0°
C04	C01	H1	119.0°	90.0°
C01	C04	H3	120.8°	90.0°
C01	C03	IR07	131.1°	90.0°
C01	C03	C06	120.3°	90.0°
C03	C01	H1	119.1°	90.0°
C03	IR07	N10	89.6°	90.0°
C03	IR07	C15	91.4°	90.0°
IR07	C03	C06	108.2°	90.0°
N10	IR07	C15	82.7°	90.0°
IR07	N10	C13	129.3°	90.0°
IR07	N10	C08	109.6°	90.0°
IR07	C15	C18	108.4°	90.0°
IR07	C15	C17	130.5°	90.0°
C04	C05	C02	119.9°	90.0°
C05	C04	H3	120.8°	90.0°
C04	C05	H4	120.1°	90.0°
C03	C06	C02	116.0°	90.0°
C03	C06	C08	115.0°	90.0°
C40	C39	C13	123.5°	90.0°
C39	C40	C41	121.0°	90.0°
C40	C39	H22	118.2°	90.0°
C39	C40	H23	119.5°	90.0°
C39	C13	N10	123.0°	90.0°
C39	C13	C09	114.5°	90.0°
C13	C39	H22	118.2°	90.0°
C05	C02	C06	123.3°	90.0°
C05	C02	H2	118.4°	90.0°
C02	C05	H4	120.0°	90.0°
C13	N10	C08	121.1°	90.0°
N10	C13	C09	122.5°	90.0°
N10	C08	C06	117.5°	90.0°
N10	C08	C11	118.2°	90.0°
C15	C18	C19	119.8°	90.0°
C18	C15	C17	120.7°	90.0°
C18	C19	C16	119.7°	90.0°
C18	C19	H9	120.1°	90.0°
C02	C06	C08	129.0°	90.0°
C06	C02	H2	118.3°	90.0°
C06	C08	C11	124.4°	90.0°
C40	C41	C42	116.5°	90.0°
C41	C40	H23	119.5°	90.0°
C40	C41	H24	121.7°	90.0°
C15	C17	C20	119.1°	90.0°
C15	C17	H8	120.4°	90.0°
C13	C09	C42	122.9°	90.0°
C13	C09	C12	118.3°	90.0°
C08	C11	C12	122.8°	90.0°
C08	C11	H5	118.6°	90.0°
C19	C16	C20	119.6°	90.0°
C19	C16	H7	120.2°	90.0°
C16	C19	H9	120.2°	90.0°
C41	C42	C09	121.5°	90.0°
C42	C41	H24	121.8°	90.0°
C41	C42	H25	119.2°	90.0°
C42	C09	C12	118.8°	90.0°
C09	C42	H25	119.2°	90.0°
C09	C12	C11	117.1°	90.0°
C09	C12	H6	121.4°	90.0°
C12	C11	H5	118.6°	90.0°
C11	C12	H6	121.4°	90.0°
C17	C20	C16	121.0°	90.0°
C20	C17	H8	120.5°	90.0°
C17	C20	H10	119.5°	90.0°
C20	C16	H7	120.2°	90.0°
C16	C20	H10	119.5°	90.0°
H20	C38	H21	109.4°	90.0°
H30	C49	H31	109.5°	90.0°
H32	C50	H33	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C44	C45	C46	H28	180.0°	90.0°
C45	C44	C43	H27	180.0°	90.0°
C44	C45	C46	C22	0.2°	90.0°
C45	C44	C43	C26	0.5°	90.0°
C45	C44	C43	H26	179.5°	90.0°
C44	C45	C46	H29	179.8°	90.0°
C46	C45	C44	C43	0.3°	90.0°
C45	C46	C22	H29	180.0°	90.0°
C45	C46	C22	C26	0.2°	90.0°
C45	C46	C22	C25	179.5°	90.0°
C46	C45	C44	H27	179.7°	90.0°
C44	C43	C26	H26	180.0°	90.0°
C44	C43	C26	C22	0.6°	90.0°
C44	C43	C26	N23	179.8°	90.0°
C43	C44	C45	H28	179.7°	90.0°
C46	C22	C26	C43	0.4°	90.0°
C46	C22	C26	C25	179.8°	90.0°
C46	C22	C26	N23	179.9°	90.0°
C46	C22	C25	C24	179.9°	90.0°
C46	C22	C25	H12	0.1°	90.0°
C22	C46	C45	H28	179.8°	90.0°
C43	C26	C22	N23	179.7°	90.0°
C43	C26	C22	C25	179.4°	90.0°
C43	C26	N23	C21	179.2°	90.0°
C43	C26	N23	IR07	1.4°	90.0°
C26	C43	C44	H27	179.5°	90.0°
C27	C30	C29	H15	180.0°	90.0°
C30	C27	C31	H13	180.0°	90.0°
C27	C30	C29	C32	178.9°	90.0°
C27	C30	C29	N14	2.8°	90.0°
C30	C27	C31	C28	0.4°	90.0°
C30	C27	C31	H16	179.6°	90.0°
C30	C29	C32	C35	0.2°	90.0°
C29	C30	C27	C31	0.5°	90.0°
C30	C29	C32	N14	178.6°	90.0°
C30	C29	C32	N34	177.6°	90.0°
C30	C29	N14	C28	3.6°	90.0°
C30	C29	N14	IR07	178.4°	90.0°
C29	C30	C27	H13	179.5°	90.0°
C36	C35	C32	H17	180.0°	90.0°
C35	C36	C33	H18	180.0°	90.0°
C36	C35	C32	C29	179.4°	90.0°
C36	C35	C32	N34	2.1°	90.0°
C35	C36	C33	C38	178.0°	90.0°
C35	C36	C33	C37	1.4°	90.0°
C32	C35	C36	C33	1.3°	90.0°
C35	C32	C29	N34	177.8°	90.0°
C35	C32	C29	N14	178.4°	90.0°
C35	C32	N34	C37	5.0°	90.0°
C35	C32	N34	IR07	178.0°	90.0°
C32	C35	C36	H18	178.7°	90.0°
C27	C31	C28	H16	180.0°	90.0°
C27	C31	C28	N14	0.7°	90.0°
C27	C31	C28	H14	179.3°	90.0°
C31	C27	C30	H15	179.5°	90.0°
C36	C33	C38	C37	179.4°	90.0°
C36	C33	C38	N47	83.6°	90.0°
C36	C33	C37	N34	1.7°	90.0°
C33	C36	C35	H17	178.8°	90.0°
C36	C33	C37	H19	178.3°	90.0°
C36	C33	C38	H20	155.6°	90.0°
C36	C33	C38	H21	37.2°	90.0°
C53	C54	N55	H35	180.0°	90.0°
C54	C53	C51	H34	180.0°	90.0°
C53	C54	N55	C56	2.8°	90.0°
C54	C53	C51	C50	177.8°	90.0°
C54	C53	C51	C57	0.2°	90.0°
N55	C54	C53	C51	2.2°	90.0°
C54	N55	C56	C57	1.1°	90.0°
N55	C54	C53	H34	177.9°	90.0°
C54	N55	C56	H36	178.9°	90.0°
C53	C51	C50	C57	177.9°	90.0°
C53	C51	C50	C49	104.3°	90.0°
C53	C51	C57	C56	1.7°	90.0°
C53	C51	C50	H32	134.3°	90.0°
C53	C51	C50	H33	16.9°	90.0°
C51	C53	C54	H35	177.9°	90.0°
C53	C51	C57	H37	178.3°	90.0°
C26	C22	C25	C24	0.1°	90.0°
C22	C26	N23	C21	0.5°	90.0°
C22	C26	N23	IR07	179.0°	90.0°
C26	C22	C25	H12	179.9°	90.0°
C22	C26	C43	H26	179.4°	90.0°
C26	C22	C46	H29	179.7°	90.0°
C25	C22	C26	N23	0.3°	90.0°
C22	C25	C24	H12	180.0°	90.0°
C22	C25	C24	C21	0.0°	90.0°
C22	C25	C24	H11	180.0°	90.0°
C25	C22	C46	H29	0.5°	90.0°
O52	C48	N47	C38	1.4°	90.0°
O52	C48	N47	C49	178.4°	90.0°
O52	C48	C49	C50	28.1°	90.0°
O52	C48	C49	H30	147.6°	90.0°
O52	C48	C49	H31	91.5°	90.0°
O52	C48	N47	H38	178.5°	90.0°
C32	C29	N14	C28	177.8°	90.0°
C32	C29	N14	IR07	3.0°	90.0°
C29	C32	N34	C37	177.5°	90.0°
C29	C32	N34	IR07	4.4°	90.0°
C32	C29	C30	H15	1.1°	90.0°
C29	C32	C35	H17	0.6°	90.0°
N14	C29	C32	N34	3.8°	90.0°
C29	N14	C28	C31	2.6°	90.0°
C29	N14	C28	IR07	175.8°	90.0°
C29	N14	IR07	N34	0.7°	90.0°
C29	N14	IR07	N23	66.4°	90.0°
C29	N14	IR07	C03	153.5°	90.0°
C29	N14	IR07	N10	119.7°	90.0°
C29	N14	IR07	C15	77.6°	90.0°
C29	N14	C28	H14	177.4°	90.0°
N14	C29	C30	H15	177.2°	90.0°
C26	N23	IR07	N14	16.1°	90.0°
C26	N23	IR07	N34	73.9°	90.0°
C26	N23	C21	IR07	179.6°	90.0°
C26	N23	C21	C24	0.5°	90.0°
C26	N23	C21	C18	179.3°	90.0°
C26	N23	IR07	C03	86.3°	90.0°
C26	N23	IR07	N10	132.3°	90.0°
C26	N23	IR07	C15	177.9°	90.0°
N23	C26	C43	H26	0.2°	90.0°
C32	N34	C37	C33	4.5°	90.0°
C32	N34	IR07	N14	2.4°	90.0°
C32	N34	C37	IR07	174.0°	90.0°
C32	N34	IR07	N23	121.3°	90.0°
C32	N34	IR07	C03	72.7°	90.0°
C32	N34	IR07	N10	64.1°	90.0°
C32	N34	IR07	C15	152.8°	90.0°
N34	C32	C35	H17	177.8°	90.0°
C32	N34	C37	H19	175.5°	90.0°
C31	C28	N14	H14	180.0°	90.0°
C31	C28	N14	IR07	178.4°	90.0°
C28	C31	C27	H13	179.6°	90.0°
C33	C38	N47	H20	120.8°	90.0°
C33	C38	N47	H21	120.8°	90.0°
C38	C33	C37	N34	178.9°	90.0°
C33	C38	N47	C48	59.2°	90.0°
C38	C33	C36	H18	2.0°	90.0°
C38	C33	C37	H19	1.1°	90.0°
C33	C38	H20	H21	117.6°	90.0°
C33	C38	N47	H38	120.8°	90.0°
C37	C33	C38	N47	95.8°	90.0°
C33	C37	N34	H19	180.0°	90.0°
C33	C37	N34	IR07	178.4°	90.0°
C37	C33	C36	H18	178.6°	90.0°
C37	C33	C38	H20	25.0°	90.0°
C37	C33	C38	H21	143.4°	90.0°
C25	C24	C21	N23	0.2°	90.0°
C25	C24	C21	H11	180.0°	90.0°
C25	C24	C21	C18	179.6°	90.0°
N55	C56	C57	C51	1.0°	90.0°
N55	C56	C57	H36	180.0°	90.0°
C56	N55	C54	H35	177.2°	90.0°
N55	C56	C57	H37	179.0°	90.0°
C38	N47	C48	H38	180.0°	90.0°
C38	N47	C48	C49	179.9°	90.0°
N47	C38	H20	H21	117.7°	90.0°
C51	C50	C49	C48	143.6°	90.0°
C51	C50	C49	H32	121.3°	90.0°
C51	C50	C49	H33	121.3°	90.0°
C50	C51	C57	C56	179.6°	90.0°
C51	C50	C49	H30	96.9°	90.0°
C51	C50	C49	H31	24.0°	90.0°
C51	C50	H32	H33	115.9°	90.0°
C50	C51	C53	H34	2.2°	90.0°
C50	C51	C57	H37	0.4°	90.0°
C57	C51	C50	C49	77.7°	90.0°
C51	C57	C56	H37	180.0°	90.0°
C57	C51	C50	H32	43.6°	90.0°
C57	C51	C50	H33	161.0°	90.0°
C57	C51	C53	H34	179.8°	90.0°
C51	C57	C56	H36	179.0°	90.0°
C28	N14	IR07	N34	175.4°	90.0°
C28	N14	IR07	N23	108.3°	90.0°
C28	N14	IR07	C03	21.2°	90.0°
C28	N14	IR07	N10	65.6°	90.0°
C28	N14	IR07	C15	107.8°	90.0°
N14	C28	C31	H16	179.3°	90.0°
N14	IR07	N34	C37	175.1°	90.0°
N14	IR07	N34	N23	118.9°	90.0°
N14	IR07	N34	C03	70.3°	90.0°
N14	IR07	N34	N10	66.5°	90.0°
N14	IR07	N34	C15	155.2°	90.0°
N14	IR07	N23	C21	163.4°	90.0°
N14	IR07	N23	C03	102.4°	90.0°
N14	IR07	N23	N10	148.3°	90.0°
N14	IR07	N23	C15	166.0°	90.0°
N14	IR07	C03	C01	97.8°	90.0°
N14	IR07	C03	N10	78.7°	90.0°
N14	IR07	C03	C15	161.4°	90.0°
N14	IR07	N10	C15	163.9°	90.0°
N14	IR07	C03	C06	74.2°	90.0°
N14	IR07	N10	C13	76.7°	90.0°
N14	IR07	N10	C08	101.3°	90.0°
N14	IR07	C15	C18	143.1°	90.0°
N14	IR07	C15	C17	29.3°	90.0°
IR07	N14	C28	H14	1.6°	90.0°
C37	N34	IR07	N23	66.0°	90.0°
C37	N34	IR07	C03	114.6°	90.0°
C37	N34	IR07	N10	108.6°	90.0°
C37	N34	IR07	C15	19.9°	90.0°
N34	IR07	N23	C21	105.6°	90.0°
N34	IR07	N23	C03	160.2°	90.0°
N34	IR07	N23	N10	153.9°	90.0°
N34	IR07	N23	C15	108.2°	90.0°
N34	IR07	C03	C01	36.4°	90.0°
N34	IR07	C03	N10	140.1°	90.0°
N34	IR07	C03	C15	137.2°	90.0°
N34	IR07	N10	C15	106.3°	90.0°
N34	IR07	C03	C06	135.7°	90.0°
N34	IR07	N10	C13	19.1°	90.0°
N34	IR07	N10	C08	158.9°	90.0°
N34	IR07	C15	C18	75.6°	90.0°
N34	IR07	C15	C17	96.9°	90.0°
IR07	N34	C37	H19	1.6°	90.0°
N47	C48	C49	C50	153.4°	90.0°
C48	N47	C38	H20	180.0°	90.0°
C48	N47	C38	H21	61.5°	90.0°
N47	C48	C49	H30	33.8°	90.0°
N47	C48	C49	H31	87.1°	90.0°
C48	C49	C50	H30	119.6°	90.0°
C48	C49	C50	H31	119.6°	90.0°
C48	C49	H30	H31	121.3°	90.0°
C48	C49	C50	H32	95.1°	90.0°
C48	C49	C50	H33	22.3°	90.0°
C49	C48	N47	H38	0.1°	90.0°
C50	C49	H30	H31	121.3°	90.0°
C49	C50	H32	H33	115.8°	90.0°
N23	C21	C24	C18	179.8°	90.0°
C21	N23	IR07	C03	94.2°	90.0°
C21	N23	IR07	N10	48.2°	90.0°
C21	N23	IR07	C15	2.6°	90.0°
N23	C21	C18	C15	1.9°	90.0°
N23	C21	C18	C19	179.9°	90.0°
N23	C21	C24	H11	179.8°	90.0°
IR07	N23	C21	C24	179.1°	90.0°
IR07	N23	C21	C18	1.1°	90.0°
N23	IR07	C03	C01	11.8°	90.0°
N23	IR07	C03	N10	171.7°	90.0°
N23	IR07	C03	C15	89.0°	90.0°
N23	IR07	N10	C15	46.1°	90.0°
N23	IR07	C03	C06	176.2°	90.0°
N23	IR07	N10	C13	133.3°	90.0°
N23	IR07	N10	C08	48.7°	90.0°
N23	IR07	C15	C18	3.5°	90.0°
N23	IR07	C15	C17	176.0°	90.0°
C24	C21	C18	C15	177.9°	90.0°
C24	C21	C18	C19	0.3°	90.0°
C21	C24	C25	H12	180.0°	90.0°
C21	C18	C15	IR07	3.8°	90.0°
C21	C18	C15	C19	178.3°	90.0°
C21	C18	C15	C17	177.1°	90.0°
C21	C18	C19	C16	180.0°	90.0°
C21	C18	C19	H9	0.0°	90.0°
C18	C21	C24	H11	0.4°	90.0°
C04	C01	C03	H1	180.0°	90.0°
C04	C01	C03	IR07	175.9°	90.0°
C01	C04	C05	H3	180.0°	90.0°
C04	C01	C03	C06	4.6°	90.0°
C01	C04	C05	C02	0.1°	90.0°
C01	C04	C05	H4	179.9°	90.0°
C01	C03	IR07	C06	172.1°	90.0°
C01	C03	IR07	N10	176.5°	90.0°
C01	C03	IR07	C15	100.8°	90.0°
C03	C01	C04	C05	2.3°	90.0°
C01	C03	C06	C02	4.2°	90.0°
C01	C03	C06	C08	177.7°	90.0°
C03	C01	C04	H3	177.7°	90.0°
C03	IR07	N10	C15	91.5°	90.0°
C03	IR07	N10	C13	178.7°	90.0°
C03	IR07	N10	C08	3.3°	90.0°
C03	IR07	C15	C18	85.8°	90.0°
IR07	C03	C06	C02	177.3°	90.0°
IR07	C03	C06	C08	4.7°	90.0°
C03	IR07	C15	C17	101.8°	90.0°
IR07	C03	C01	H1	4.2°	90.0°
N10	IR07	C03	C06	4.5°	90.0°
IR07	N10	C13	C39	2.7°	90.0°
IR07	N10	C13	C08	177.8°	90.0°
N10	IR07	C15	C18	175.2°	90.0°
IR07	N10	C08	C06	1.4°	90.0°
N10	IR07	C15	C17	12.4°	90.0°
IR07	N10	C13	C09	177.9°	90.0°
IR07	N10	C08	C11	178.0°	90.0°
C15	IR07	C03	C06	87.1°	90.0°
C15	IR07	N10	C13	87.2°	90.0°
C15	IR07	N10	C08	94.8°	90.0°
IR07	C15	C18	C17	173.3°	90.0°
IR07	C15	C18	C19	177.9°	90.0°
IR07	C15	C17	C20	176.5°	90.0°
IR07	C15	C17	H8	3.5°	90.0°
C04	C05	C02	H4	180.0°	90.0°
C04	C05	C02	C06	0.2°	90.0°
C05	C04	C01	H1	177.7°	90.0°
C04	C05	C02	H2	179.8°	90.0°
C03	C06	C02	C05	2.0°	90.0°
C03	C06	C08	N10	2.3°	90.0°
C03	C06	C02	C08	177.7°	90.0°
C03	C06	C08	C11	178.3°	90.0°
C06	C03	C01	H1	175.4°	90.0°
C03	C06	C02	H2	178.1°	90.0°
C40	C39	C13	H22	180.0°	90.0°
C40	C39	C13	N10	179.9°	90.0°
C39	C40	C41	H23	180.0°	90.0°
C40	C39	C13	C09	0.4°	90.0°
C39	C40	C41	C42	0.2°	90.0°
C39	C40	C41	H24	179.8°	90.0°
C39	C13	N10	C09	179.4°	90.0°
C39	C13	N10	C08	179.5°	90.0°
C13	C39	C40	C41	0.3°	90.0°
C39	C13	C09	C42	0.4°	90.0°
C39	C13	C09	C12	179.8°	90.0°
C13	C39	C40	H23	179.7°	90.0°
C05	C02	C06	H2	180.0°	90.0°
C05	C02	C06	C08	179.7°	90.0°
C02	C05	C04	H3	179.9°	90.0°
C13	N10	C08	C06	179.6°	90.0°
C13	N10	C08	C11	0.2°	90.0°
N10	C13	C09	C42	179.9°	90.0°
N10	C13	C09	C12	0.3°	90.0°
N10	C13	C39	H22	0.1°	90.0°
N10	C08	C06	C02	180.0°	90.0°
N10	C08	C06	C11	179.4°	90.0°
C08	N10	C13	C09	0.1°	90.0°
N10	C08	C11	C12	0.2°	90.0°
N10	C08	C11	H5	179.8°	90.0°
C15	C18	C19	C16	1.8°	90.0°
C18	C15	C17	C20	4.8°	90.0°
C18	C15	C17	H8	175.2°	90.0°
C15	C18	C19	H9	178.2°	90.0°
C19	C18	C15	C17	4.6°	90.0°
C18	C19	C16	H9	180.0°	90.0°
C18	C19	C16	C20	0.6°	90.0°
C18	C19	C16	H7	179.4°	90.0°
C02	C06	C08	C11	0.6°	90.0°
C06	C02	C05	H4	179.8°	90.0°
C06	C08	C11	C12	179.5°	90.0°
C08	C06	C02	H2	0.4°	90.0°
C06	C08	C11	H5	0.4°	90.0°
C40	C41	C42	H24	180.0°	90.0°
C40	C41	C42	C09	0.2°	90.0°
C41	C40	C39	H22	179.7°	90.0°
C40	C41	C42	H25	179.8°	90.0°
C15	C17	C20	H8	180.0°	90.0°
C15	C17	C20	C16	2.4°	90.0°
C15	C17	C20	H10	177.7°	90.0°
C13	C09	C42	C41	0.3°	90.0°
C13	C09	C42	C12	179.8°	90.0°
C13	C09	C12	C11	0.3°	90.0°
C13	C09	C12	H6	179.7°	90.0°
C09	C13	C39	H22	179.6°	90.0°
C13	C09	C42	H25	179.6°	90.0°
C08	C11	C12	C09	0.1°	90.0°
C08	C11	C12	H5	180.0°	90.0°
C08	C11	C12	H6	179.9°	90.0°
C19	C16	C20	C17	0.3°	90.0°
C19	C16	C20	H7	180.0°	90.0°
C19	C16	C20	H10	179.6°	90.0°
C41	C42	C09	H25	180.0°	90.0°
C41	C42	C09	C12	179.9°	90.0°
C42	C41	C40	H23	179.8°	90.0°
C42	C09	C12	C11	179.9°	90.0°
C42	C09	C12	H6	0.1°	90.0°
C09	C42	C41	H24	179.8°	90.0°
C09	C12	C11	H6	180.0°	90.0°
C09	C12	C11	H5	180.0°	90.0°
C12	C09	C42	H25	0.1°	90.0°
C17	C20	C16	H10	180.0°	90.0°
C17	C20	C16	H7	179.7°	90.0°
C16	C20	C17	H8	177.7°	90.0°
C20	C16	C19	H9	179.4°	90.0°
H1	C01	C04	H3	2.3°	90.0°
H2	C02	C05	H4	0.2°	90.0°
H3	C04	C05	H4	0.1°	90.0°
H5	C11	C12	H6	0.1°	90.0°
H7	C16	C19	H9	0.6°	90.0°
H7	C16	C20	H10	0.3°	90.0°
H8	C17	C20	H10	2.3°	90.0°
H11	C24	C25	H12	0.0°	90.0°
H13	C27	C30	H15	0.5°	90.0°
H13	C27	C31	H16	0.4°	90.0°
H14	C28	C31	H16	0.7°	90.0°
H17	C35	C36	H18	1.3°	90.0°
H20	C38	N47	H38	0.0°	90.0°
H21	C38	N47	H38	118.4°	90.0°
H22	C39	C40	H23	0.3°	90.0°
H23	C40	C41	H24	0.2°	90.0°
H24	C41	C42	H25	0.2°	90.0°
H26	C43	C44	H27	0.5°	90.0°
H27	C44	C45	H28	0.3°	90.0°
H28	C45	C46	H29	0.2°	90.0°
H30	C49	C50	H32	24.5°	90.0°
H30	C49	C50	H33	141.8°	90.0°
H31	C49	C50	H32	145.3°	90.0°
H31	C49	C50	H33	97.3°	90.0°
H34	C53	C54	H35	2.1°	90.0°
H36	C56	C57	H37	1.0°	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:	8EWL