X1O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F08	C04	sing	0.00Å	1.36Å
C31	C35	doub	0.00Å	1.39Å	Aromatic
C31	C34	sing	0.00Å	1.39Å	Aromatic
C35	C32	sing	0.00Å	1.41Å	Aromatic
C04	C05	doub	0.00Å	1.40Å	Aromatic
C04	C01	sing	0.00Å	1.39Å	Aromatic
C05	C02	sing	0.00Å	1.41Å	Aromatic
C34	C33	doub	0.00Å	1.41Å	Aromatic
C52	C51	doub	0.00Å	1.38Å	Aromatic
C52	N53	sing	0.00Å	1.32Å	Aromatic
C32	N16	doub	0.00Å	1.37Å	Aromatic
C01	C03	doub	0.00Å	1.40Å	Aromatic
C02	F10	sing	0.00Å	1.33Å
C02	C06	doub	0.00Å	1.41Å	Aromatic
O48	C44	doub	0.00Å	1.22Å
C51	C47	sing	0.00Å	1.39Å	Aromatic
C26	C30	doub	0.00Å	1.40Å	Aromatic
C26	C29	sing	0.00Å	1.41Å	Aromatic
C30	N27	sing	0.00Å	1.36Å	Aromatic
C33	N16	sing	0.00Å	1.33Å	Aromatic
C33	C36	sing	0.00Å	1.39Å
N16	IR07	sing	0.00Å	2.14Å
C03	C06	sing	0.00Å	1.42Å	Aromatic
C03	IR07	sing	0.00Å	1.99Å
C06	C09	sing	0.00Å	1.55Å
N53	C49	doub	0.00Å	1.34Å	Aromatic
C46	C47	sing	0.00Å	1.50Å
C46	C45	sing	0.00Å	1.51Å
C36	C39	doub	0.00Å	1.39Å	Aromatic
C36	N38	sing	0.00Å	1.34Å	Aromatic
C39	C40	sing	0.00Å	1.37Å	Aromatic
C29	C28	doub	0.00Å	1.41Å	Aromatic
C44	N43	sing	0.00Å	1.45Å
C44	C45	sing	0.00Å	1.52Å
N27	IR07	sing	0.00Å	2.01Å
N27	C23	doub	0.00Å	1.37Å	Aromatic
C47	C50	doub	0.00Å	1.38Å	Aromatic
C09	C13	doub	0.00Å	1.41Å	Aromatic
C09	N12	sing	0.00Å	1.36Å	Aromatic
IR07	N38	sing	0.00Å	2.11Å
IR07	N12	sing	0.00Å	2.01Å
IR07	C17	sing	0.00Å	1.99Å
N38	C41	doub	0.00Å	1.36Å	Aromatic
C13	C14	sing	0.00Å	1.42Å	Aromatic
N43	C42	sing	0.00Å	1.46Å
C40	C37	doub	0.00Å	1.39Å	Aromatic
N12	C15	doub	0.00Å	1.36Å	Aromatic
C49	C50	sing	0.00Å	1.39Å	Aromatic
C28	C23	sing	0.00Å	1.41Å	Aromatic
C23	C20	sing	0.00Å	1.54Å
C41	C37	sing	0.00Å	1.42Å	Aromatic
C14	C11	doub	0.00Å	1.41Å	Aromatic
C37	C42	sing	0.00Å	1.50Å
C15	C11	sing	0.00Å	1.40Å	Aromatic
C17	C20	doub	0.00Å	1.41Å	Aromatic
C17	C19	sing	0.00Å	1.41Å	Aromatic
C20	C21	sing	0.00Å	1.41Å	Aromatic
C19	C22	doub	0.00Å	1.38Å	Aromatic
C21	F24	sing	0.00Å	1.35Å
C21	C18	doub	0.00Å	1.43Å	Aromatic
C22	C18	sing	0.00Å	1.41Å	Aromatic
C22	F25	sing	0.00Å	1.45Å
C01	H1	sing	0.00Å	1.08Å
C05	H2	sing	0.00Å	1.08Å
C11	H3	sing	0.00Å	1.08Å
C13	H4	sing	0.00Å	1.08Å
C14	H5	sing	0.00Å	1.08Å
C15	H6	sing	0.00Å	1.08Å
C18	H7	sing	0.00Å	1.08Å
C19	H8	sing	0.00Å	1.08Å
C26	H9	sing	0.00Å	1.08Å
C28	H10	sing	0.00Å	1.08Å
C29	H11	sing	0.00Å	1.08Å
C30	H12	sing	0.00Å	1.08Å
C31	H13	sing	0.00Å	1.08Å
C32	H14	sing	0.00Å	1.08Å
C34	H15	sing	0.00Å	1.08Å
C35	H16	sing	0.00Å	1.08Å
C39	H17	sing	0.00Å	1.08Å
C40	H18	sing	0.00Å	1.08Å
C41	H19	sing	0.00Å	1.08Å
C42	H20	sing	0.00Å	1.10Å
C42	H21	sing	0.00Å	1.10Å
C45	H22	sing	0.00Å	1.10Å
C45	H23	sing	0.00Å	1.10Å
C46	H24	sing	0.00Å	1.10Å
C46	H25	sing	0.00Å	1.10Å
C49	H26	sing	0.00Å	1.08Å
C50	H27	sing	0.00Å	1.08Å
C51	H28	sing	0.00Å	1.08Å
C52	H29	sing	0.00Å	1.08Å
N43	H30	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F08	C04	C05	122.7°	90.0°
F08	C04	C01	119.4°	90.0°
C35	C31	C34	111.5°	90.0°
C31	C35	C32	121.5°	90.0°
C35	C31	H13	124.3°	90.0°
C31	C35	H16	119.3°	90.0°
C31	C34	C33	121.6°	90.0°
C34	C31	H13	124.2°	90.0°
C31	C34	H15	119.2°	90.0°
C35	C32	N16	128.8°	90.0°
C35	C32	H14	115.6°	90.0°
C32	C35	H16	119.3°	90.0°
C05	C04	C01	117.9°	90.0°
C04	C05	C02	120.6°	90.0°
C04	C05	H2	119.7°	90.0°
C04	C01	C03	120.6°	90.0°
C04	C01	H1	119.7°	90.0°
C05	C02	F10	117.6°	90.0°
C05	C02	C06	123.3°	90.0°
C02	C05	H2	119.7°	90.0°
C34	C33	N16	130.1°	90.0°
C34	C33	C36	122.0°	90.0°
C33	C34	H15	119.2°	90.0°
C51	C52	N53	118.9°	90.0°
C52	C51	C47	118.1°	90.0°
C52	C51	H28	120.9°	90.0°
C51	C52	H29	120.5°	90.0°
C52	N53	C49	122.8°	90.0°
N53	C52	H29	120.6°	90.0°
C32	N16	C33	106.4°	90.0°
C32	N16	IR07	125.6°	90.0°
N16	C32	H14	115.6°	90.0°
C01	C03	C06	123.6°	90.0°
C01	C03	IR07	129.9°	90.0°
C03	C01	H1	119.7°	90.0°
F10	C02	C06	119.1°	90.0°
C02	C06	C03	114.0°	90.0°
C02	C06	C09	127.8°	90.0°
O48	C44	N43	116.2°	90.0°
O48	C44	C45	112.8°	90.0°
C51	C47	C46	92.9°	90.0°
C51	C47	C50	123.4°	90.0°
C47	C51	H28	120.9°	90.0°
C30	C26	C29	118.9°	90.0°
C26	C30	N27	120.6°	90.0°
C30	C26	H9	120.5°	90.0°
C26	C30	H12	119.7°	90.0°
C26	C29	C28	118.4°	90.0°
C29	C26	H9	120.6°	90.0°
C26	C29	H11	120.8°	90.0°
C30	N27	IR07	128.4°	90.0°
C30	N27	C23	123.3°	90.0°
N27	C30	H12	119.7°	90.0°
N16	C33	C36	108.0°	90.0°
C33	N16	IR07	128.0°	90.0°
C33	C36	C39	118.4°	90.0°
C33	C36	N38	111.5°	90.0°
N16	IR07	C03	107.3°	90.0°
N16	IR07	N27	128.9°	90.0°
N16	IR07	N38	65.5°	90.0°
N16	IR07	N12	64.5°	90.0°
N16	IR07	C17	141.0°	90.0°
C06	C03	IR07	106.4°	90.0°
C03	C06	C09	118.3°	90.0°
C03	IR07	N27	77.9°	90.0°
C03	IR07	N38	147.8°	90.0°
C03	IR07	N12	90.0°	90.0°
C03	IR07	C17	81.3°	90.0°
C06	C09	C13	128.4°	90.0°
C06	C09	N12	116.2°	90.0°
N53	C49	C50	122.4°	90.0°
N53	C49	H26	118.8°	90.0°
C47	C46	C45	128.6°	90.0°
C46	C47	C50	143.7°	90.0°
C47	C46	H24	104.5°	90.0°
C47	C46	H25	104.5°	90.0°
C46	C45	C44	99.8°	90.0°
C46	C45	H22	111.8°	90.0°
C46	C45	H23	111.8°	90.0°
C45	C46	H24	104.5°	90.0°
C45	C46	H25	104.5°	90.0°
C39	C36	N38	130.1°	90.0°
C36	C39	C40	119.8°	90.0°
C36	C39	H17	120.1°	90.0°
C36	N38	IR07	126.8°	90.0°
C36	N38	C41	109.9°	90.0°
C39	C40	C37	112.7°	90.0°
C40	C39	H17	120.1°	90.0°
C39	C40	H18	123.6°	90.0°
C29	C28	C23	121.6°	90.0°
C29	C28	H10	119.2°	90.0°
C28	C29	H11	120.8°	90.0°
N43	C44	C45	130.7°	90.0°
C44	N43	C42	118.0°	90.0°
C44	N43	H30	121.0°	90.0°
C44	C45	H22	111.8°	90.0°
C44	C45	H23	111.8°	90.0°
IR07	N27	C23	108.3°	90.0°
N27	IR07	N38	83.5°	90.0°
N27	IR07	N12	164.0°	90.0°
N27	IR07	C17	89.9°	90.0°
N27	C23	C28	117.1°	90.0°
N27	C23	C20	117.2°	90.0°
C47	C50	C49	114.3°	90.0°
C47	C50	H27	122.8°	90.0°
C13	C09	N12	115.4°	90.0°
C09	C13	C14	121.4°	90.0°
C09	C13	H4	119.3°	90.0°
C09	N12	IR07	109.1°	90.0°
C09	N12	C15	125.9°	90.0°
N38	IR07	N12	111.9°	90.0°
N38	IR07	C17	125.0°	90.0°
IR07	N38	C41	122.7°	90.0°
N12	IR07	C17	77.9°	90.0°
IR07	N12	C15	125.0°	90.0°
IR07	C17	C20	106.8°	90.0°
IR07	C17	C19	128.1°	90.0°
N38	C41	C37	123.2°	90.0°
N38	C41	H19	118.4°	90.0°
C13	C14	C11	119.5°	90.0°
C14	C13	H4	119.3°	90.0°
C13	C14	H5	120.3°	90.0°
N43	C42	C37	87.3°	90.0°
N43	C42	H20	114.7°	90.0°
N43	C42	H21	114.7°	90.0°
C42	N43	H30	121.0°	90.0°
C40	C37	C41	123.9°	90.0°
C40	C37	C42	110.7°	90.0°
C37	C40	H18	123.6°	90.0°
N12	C15	C11	119.4°	90.0°
N12	C15	H6	120.3°	90.0°
C50	C49	H26	118.8°	90.0°
C49	C50	H27	122.8°	90.0°
C28	C23	C20	125.7°	90.0°
C23	C28	H10	119.2°	90.0°
C23	C20	C17	117.7°	90.0°
C23	C20	C21	128.5°	90.0°
C41	C37	C42	124.7°	90.0°
C37	C41	H19	118.4°	90.0°
C14	C11	C15	118.4°	90.0°
C14	C11	H3	120.8°	90.0°
C11	C14	H5	120.2°	90.0°
C37	C42	H20	114.7°	90.0°
C37	C42	H21	114.7°	90.0°
C15	C11	H3	120.8°	90.0°
C11	C15	H6	120.3°	90.0°
C20	C17	C19	124.7°	90.0°
C17	C20	C21	113.7°	90.0°
C17	C19	C22	120.2°	90.0°
C17	C19	H8	119.9°	90.0°
C20	C21	F24	119.0°	90.0°
C20	C21	C18	122.2°	90.0°
C19	C22	C18	117.4°	90.0°
C19	C22	F25	119.4°	90.0°
C22	C19	H8	119.9°	90.0°
F24	C21	C18	118.8°	90.0°
C21	C18	C22	121.5°	90.0°
C21	C18	H7	119.3°	90.0°
C18	C22	F25	123.2°	90.0°
C22	C18	H7	119.2°	90.0°
H20	C42	H21	109.5°	90.0°
H22	C45	H23	109.5°	90.0°
H24	C46	H25	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F08	C04	C05	C01	179.8°	90.0°
F08	C04	C05	C02	180.0°	90.0°
F08	C04	C01	C03	178.5°	90.0°
F08	C04	C01	H1	1.5°	90.0°
F08	C04	C05	H2	0.0°	90.0°
C35	C31	C34	H13	180.0°	90.0°
C31	C35	C32	H16	180.0°	90.0°
C35	C31	C34	C33	0.2°	90.0°
C31	C35	C32	N16	4.7°	90.0°
C31	C35	C32	H14	175.3°	90.0°
C35	C31	C34	H15	179.8°	90.0°
C34	C31	C35	C32	1.7°	90.0°
C31	C34	C33	H15	180.0°	90.0°
C31	C34	C33	N16	0.3°	90.0°
C31	C34	C33	C36	179.8°	90.0°
C34	C31	C35	H16	178.3°	90.0°
C35	C32	N16	H14	180.0°	90.0°
C35	C32	N16	C33	4.6°	90.0°
C35	C32	N16	IR07	177.9°	90.0°
C32	C35	C31	H13	178.3°	90.0°
C04	C05	C02	H2	180.0°	90.0°
C05	C04	C01	C03	1.6°	90.0°
C04	C05	C02	F10	179.6°	90.0°
C04	C05	C02	C06	0.3°	90.0°
C05	C04	C01	H1	178.4°	90.0°
C01	C04	C05	C02	0.2°	90.0°
C04	C01	C03	H1	180.0°	90.0°
C04	C01	C03	C06	2.8°	90.0°
C04	C01	C03	IR07	178.3°	90.0°
C01	C04	C05	H2	179.9°	90.0°
C05	C02	F10	C06	179.9°	90.0°
C05	C02	C06	C03	0.7°	90.0°
C05	C02	C06	C09	179.2°	90.0°
C34	C33	N16	C32	2.5°	90.0°
C34	C33	N16	C36	179.9°	90.0°
C34	C33	N16	IR07	179.9°	90.0°
C34	C33	C36	C39	0.4°	90.0°
C34	C33	C36	N38	176.8°	90.0°
C33	C34	C31	H13	179.8°	90.0°
C51	C52	N53	H29	180.0°	90.0°
C52	C51	C47	H28	180.0°	90.0°
C51	C52	N53	C49	1.3°	90.0°
C52	C51	C47	C46	179.7°	90.0°
C52	C51	C47	C50	1.1°	90.0°
N53	C52	C51	C47	0.0°	90.0°
C52	N53	C49	C50	1.7°	90.0°
C52	N53	C49	H26	178.3°	90.0°
N53	C52	C51	H28	180.0°	90.0°
C32	N16	C33	IR07	177.4°	90.0°
C32	N16	C33	C36	177.6°	90.0°
C32	N16	IR07	C03	28.7°	90.0°
C32	N16	IR07	N27	116.9°	90.0°
C32	N16	IR07	N38	175.0°	90.0°
C32	N16	IR07	N12	52.7°	90.0°
C32	N16	IR07	C17	68.9°	90.0°
N16	C32	C35	H16	175.3°	90.0°
C01	C03	C06	C02	2.2°	90.0°
C01	C03	IR07	N16	115.0°	90.0°
C01	C03	C06	IR07	176.4°	90.0°
C01	C03	C06	C09	179.1°	90.0°
C01	C03	IR07	N27	12.3°	90.0°
C01	C03	IR07	N38	43.7°	90.0°
C01	C03	IR07	N12	178.1°	90.0°
C01	C03	IR07	C17	104.1°	90.0°
F10	C02	C06	C03	179.4°	90.0°
F10	C02	C06	C09	0.9°	90.0°
F10	C02	C05	H2	0.4°	90.0°
C02	C06	C03	C09	178.7°	90.0°
C02	C06	C03	IR07	178.7°	90.0°
C02	C06	C09	C13	1.5°	90.0°
C02	C06	C09	N12	179.4°	90.0°
C06	C02	C05	H2	179.7°	90.0°
O48	C44	C45	C46	19.3°	90.0°
O48	C44	N43	C45	173.0°	90.0°
O48	C44	N43	C42	176.4°	90.0°
O48	C44	C45	H22	137.7°	90.0°
O48	C44	C45	H23	99.1°	90.0°
O48	C44	N43	H30	3.6°	90.0°
C51	C47	C46	C50	178.0°	90.0°
C51	C47	C46	C45	174.0°	90.0°
C51	C47	C50	C49	0.7°	90.0°
C51	C47	C46	H24	51.4°	90.0°
C51	C47	C46	H25	63.5°	90.0°
C51	C47	C50	H27	179.3°	90.0°
C47	C51	C52	H29	180.0°	90.0°
C30	C26	C29	H9	180.0°	90.0°
C26	C30	N27	H12	180.0°	90.0°
C30	C26	C29	C28	1.2°	90.0°
C26	C30	N27	IR07	178.9°	90.0°
C26	C30	N27	C23	0.1°	90.0°
C30	C26	C29	H11	178.8°	90.0°
C29	C26	C30	N27	0.5°	90.0°
C26	C29	C28	H11	180.0°	90.0°
C26	C29	C28	C23	1.2°	90.0°
C26	C29	C28	H10	178.8°	90.0°
C29	C26	C30	H12	179.5°	90.0°
C30	N27	IR07	N16	5.9°	90.0°
C30	N27	IR07	C03	96.6°	90.0°
C30	N27	IR07	C23	178.9°	90.0°
C30	N27	IR07	N38	57.0°	90.0°
C30	N27	IR07	N12	138.0°	90.0°
C30	N27	IR07	C17	177.7°	90.0°
C30	N27	C23	C28	0.2°	90.0°
C30	N27	C23	C20	178.9°	90.0°
N27	C30	C26	H9	179.5°	90.0°
C33	N16	IR07	C03	148.2°	90.0°
N16	C33	C36	C39	179.6°	90.0°
N16	C33	C36	N38	3.3°	90.0°
C33	N16	IR07	N27	60.0°	90.0°
C33	N16	IR07	N38	1.9°	90.0°
C33	N16	IR07	N12	130.3°	90.0°
C33	N16	IR07	C17	114.1°	90.0°
C33	N16	C32	H14	175.4°	90.0°
N16	C33	C34	H15	179.6°	90.0°
C36	C33	N16	IR07	0.2°	90.0°
C33	C36	C39	N38	176.5°	90.0°
C33	C36	C39	C40	179.8°	90.0°
C33	C36	N38	IR07	5.8°	90.0°
C33	C36	N38	C41	177.1°	90.0°
C36	C33	C34	H15	0.3°	90.0°
C33	C36	C39	H17	0.2°	90.0°
N16	IR07	C03	C06	61.2°	90.0°
N16	IR07	C03	N27	127.3°	90.0°
N16	IR07	C03	N38	71.3°	90.0°
N16	IR07	C03	N12	63.1°	90.0°
N16	IR07	C03	C17	140.9°	90.0°
N16	IR07	N38	C36	4.2°	90.0°
N16	IR07	N27	N38	51.0°	90.0°
N16	IR07	N27	N12	143.9°	90.0°
N16	IR07	N27	C17	176.3°	90.0°
N16	IR07	N27	C23	175.2°	90.0°
N16	IR07	N12	C09	108.3°	90.0°
N16	IR07	N38	N12	46.0°	90.0°
N16	IR07	N38	C17	136.4°	90.0°
N16	IR07	N12	C17	169.7°	90.0°
N16	IR07	N38	C41	174.5°	90.0°
N16	IR07	N12	C15	72.3°	90.0°
N16	IR07	C17	C20	173.5°	90.0°
N16	IR07	C17	C19	0.2°	90.0°
IR07	N16	C32	H14	2.1°	90.0°
C06	C03	IR07	N27	171.5°	90.0°
C03	C06	C09	C13	180.0°	90.0°
C03	C06	C09	N12	2.2°	90.0°
C06	C03	IR07	N38	132.5°	90.0°
C06	C03	IR07	N12	2.0°	90.0°
C06	C03	IR07	C17	79.7°	90.0°
C06	C03	C01	H1	177.2°	90.0°
IR07	C03	C06	C09	2.7°	90.0°
C03	IR07	N38	C36	87.8°	90.0°
C03	IR07	N27	N38	153.6°	90.0°
C03	IR07	N27	N12	41.4°	90.0°
C03	IR07	N27	C17	81.1°	90.0°
C03	IR07	N27	C23	82.2°	90.0°
C03	IR07	N12	C09	0.9°	90.0°
C03	IR07	N38	N12	129.7°	90.0°
C03	IR07	N38	C17	140.0°	90.0°
C03	IR07	N12	C17	81.1°	90.0°
C03	IR07	N38	C41	101.8°	90.0°
C03	IR07	N12	C15	178.4°	90.0°
C03	IR07	C17	C20	79.7°	90.0°
C03	IR07	C17	C19	106.9°	90.0°
IR07	C03	C01	H1	1.6°	90.0°
C06	C09	C13	N12	177.9°	90.0°
C06	C09	N12	IR07	0.3°	90.0°
C06	C09	C13	C14	179.2°	90.0°
C06	C09	N12	C15	179.7°	90.0°
C06	C09	C13	H4	0.8°	90.0°
N53	C49	C50	C47	0.6°	90.0°
N53	C49	C50	H26	180.0°	90.0°
N53	C49	C50	H27	179.3°	90.0°
C49	N53	C52	H29	178.7°	90.0°
C47	C46	C45	H24	122.5°	90.0°
C47	C46	C45	H25	122.5°	90.0°
C47	C46	C45	C44	148.3°	90.0°
C46	C47	C50	C49	178.3°	90.0°
C47	C46	C45	H22	29.9°	90.0°
C47	C46	C45	H23	93.2°	90.0°
C47	C46	H24	H25	111.4°	90.0°
C46	C47	C50	H27	1.7°	90.0°
C46	C47	C51	H28	0.4°	90.0°
C46	C45	C44	N43	153.9°	90.0°
C46	C45	C44	H22	118.4°	90.0°
C46	C45	C44	H23	118.4°	90.0°
C45	C46	C47	C50	4.0°	90.0°
C46	C45	H22	H23	124.5°	90.0°
C45	C46	H24	H25	111.4°	90.0°
C36	C39	C40	H17	180.0°	90.0°
C39	C36	N38	IR07	177.5°	90.0°
C39	C36	N38	C41	6.2°	90.0°
C36	C39	C40	C37	2.8°	90.0°
C36	C39	C40	H18	177.1°	90.0°
N38	C36	C39	C40	3.3°	90.0°
C36	N38	IR07	N27	142.5°	90.0°
C36	N38	IR07	C41	170.3°	90.0°
C36	N38	IR07	N12	41.9°	90.0°
C36	N38	IR07	C17	132.2°	90.0°
C36	N38	C41	C37	3.1°	90.0°
N38	C36	C39	H17	176.7°	90.0°
C36	N38	C41	H19	176.9°	90.0°
C39	C40	C37	H18	180.0°	90.0°
C39	C40	C37	C41	5.5°	90.0°
C39	C40	C37	C42	176.2°	90.0°
C29	C28	C23	N27	0.5°	90.0°
C29	C28	C23	H10	180.0°	90.0°
C29	C28	C23	C20	179.5°	90.0°
C28	C29	C26	H9	178.8°	90.0°
C44	N43	C42	H30	180.0°	90.0°
C44	N43	C42	C37	98.9°	90.0°
C44	N43	C42	H20	145.1°	90.0°
C44	N43	C42	H21	17.1°	90.0°
N43	C44	C45	H22	35.4°	90.0°
N43	C44	C45	H23	87.7°	90.0°
C45	C44	N43	C42	10.7°	90.0°
C44	C45	H22	H23	124.5°	90.0°
C44	C45	C46	H24	89.1°	90.0°
C44	C45	C46	H25	25.9°	90.0°
C45	C44	N43	H30	169.3°	90.0°
N27	IR07	N12	C09	41.2°	90.0°
N27	IR07	N38	N12	175.6°	90.0°
N27	IR07	N38	C17	85.3°	90.0°
N27	IR07	N12	C17	40.8°	90.0°
N27	IR07	N38	C41	47.1°	90.0°
N27	IR07	N12	C15	138.2°	90.0°
IR07	N27	C23	C28	179.1°	90.0°
IR07	N27	C23	C20	0.0°	90.0°
N27	IR07	C17	C20	1.9°	90.0°
N27	IR07	C17	C19	175.3°	90.0°
IR07	N27	C30	H12	1.1°	90.0°
C23	N27	IR07	N38	124.2°	90.0°
C23	N27	IR07	N12	40.9°	90.0°
C23	N27	IR07	C17	1.1°	90.0°
N27	C23	C28	C20	179.0°	90.0°
N27	C23	C20	C17	1.7°	90.0°
N27	C23	C20	C21	179.5°	90.0°
N27	C23	C28	H10	179.5°	90.0°
C23	N27	C30	H12	179.8°	90.0°
C47	C50	C49	H27	180.0°	90.0°
C50	C47	C46	H24	126.5°	90.0°
C50	C47	C46	H25	118.5°	90.0°
C47	C50	C49	H26	179.4°	90.0°
C50	C47	C51	H28	178.9°	90.0°
C13	C09	N12	IR07	178.5°	90.0°
C09	C13	C14	H4	180.0°	90.0°
C13	C09	N12	C15	2.2°	90.0°
C09	C13	C14	C11	0.5°	90.0°
C09	C13	C14	H5	179.5°	90.0°
C09	N12	IR07	N38	154.9°	90.0°
C09	N12	IR07	C15	179.4°	90.0°
C09	N12	IR07	C17	82.0°	90.0°
N12	C09	C13	C14	1.3°	90.0°
C09	N12	C15	C11	2.1°	90.0°
N12	C09	C13	H4	178.7°	90.0°
C09	N12	C15	H6	177.9°	90.0°
N38	IR07	N12	C17	123.1°	90.0°
N38	IR07	N12	C15	25.8°	90.0°
IR07	N38	C41	C37	174.9°	90.0°
N38	IR07	C17	C20	80.0°	90.0°
N38	IR07	C17	C19	93.3°	90.0°
IR07	N38	C41	H19	5.1°	90.0°
N12	IR07	N38	C41	128.5°	90.0°
IR07	N12	C15	C11	178.6°	90.0°
N12	IR07	C17	C20	171.6°	90.0°
N12	IR07	C17	C19	15.1°	90.0°
IR07	N12	C15	H6	1.4°	90.0°
C17	IR07	N38	C41	38.2°	90.0°
C17	IR07	N12	C15	97.3°	90.0°
IR07	C17	C20	C23	2.4°	90.0°
IR07	C17	C20	C19	173.6°	90.0°
IR07	C17	C20	C21	178.6°	90.0°
IR07	C17	C19	C22	178.1°	90.0°
IR07	C17	C19	H8	1.9°	90.0°
N38	C41	C37	C40	2.5°	90.0°
N38	C41	C37	H19	180.0°	90.0°
N38	C41	C37	C42	171.9°	90.0°
C13	C14	C11	H5	180.0°	90.0°
C13	C14	C11	C15	0.4°	90.0°
C13	C14	C11	H3	179.6°	90.0°
N43	C42	C37	C40	71.2°	90.0°
N43	C42	C37	C41	99.4°	90.0°
N43	C42	C37	H20	116.0°	90.0°
N43	C42	C37	H21	116.0°	90.0°
N43	C42	H20	H21	130.5°	90.0°
C40	C37	C41	C42	169.4°	90.0°
C37	C40	C39	H17	177.2°	90.0°
C40	C37	C41	H19	177.4°	90.0°
C40	C37	C42	H20	44.8°	90.0°
C40	C37	C42	H21	172.8°	90.0°
N12	C15	C11	C14	1.1°	90.0°
N12	C15	C11	H6	180.0°	90.0°
N12	C15	C11	H3	178.9°	90.0°
C28	C23	C20	C17	177.3°	90.0°
C28	C23	C20	C21	1.5°	90.0°
C23	C28	C29	H11	178.8°	90.0°
C23	C20	C17	C21	179.0°	90.0°
C23	C20	C17	C19	176.0°	90.0°
C23	C20	C21	F24	0.7°	90.0°
C23	C20	C21	C18	179.3°	90.0°
C20	C23	C28	H10	0.5°	90.0°
C41	C37	C40	H18	174.5°	90.0°
C41	C37	C42	H20	144.6°	90.0°
C41	C37	C42	H21	16.6°	90.0°
C14	C11	C15	H3	180.0°	90.0°
C11	C14	C13	H4	179.5°	90.0°
C14	C11	C15	H6	178.9°	90.0°
C42	C37	C40	H18	3.8°	90.0°
C42	C37	C41	H19	8.0°	90.0°
C37	C42	H20	H21	130.6°	90.0°
C37	C42	N43	H30	81.2°	90.0°
C15	C11	C14	H5	179.6°	90.0°
C20	C17	C19	C22	5.9°	90.0°
C17	C20	C21	F24	178.1°	90.0°
C17	C20	C21	C18	1.9°	90.0°
C20	C17	C19	H8	174.1°	90.0°
C19	C17	C20	C21	5.0°	90.0°
C17	C19	C22	H8	180.0°	90.0°
C17	C19	C22	C18	3.1°	90.0°
C17	C19	C22	F25	176.8°	90.0°
C20	C21	F24	C18	180.0°	90.0°
C20	C21	C18	C22	0.4°	90.0°
C20	C21	C18	H7	179.6°	90.0°
C19	C22	C18	C21	0.2°	90.0°
C19	C22	C18	F25	179.9°	90.0°
C19	C22	C18	H7	179.8°	90.0°
F24	C21	C18	C22	179.6°	90.0°
F24	C21	C18	H7	0.4°	90.0°
C21	C18	C22	H7	180.0°	90.0°
C21	C18	C22	F25	179.7°	90.0°
C18	C22	C19	H8	176.9°	90.0°
F25	C22	C18	H7	0.3°	90.0°
F25	C22	C19	H8	3.2°	90.0°
H3	C11	C14	H5	0.4°	90.0°
H3	C11	C15	H6	1.2°	90.0°
H4	C13	C14	H5	0.5°	90.0°
H9	C26	C29	H11	1.2°	90.0°
H9	C26	C30	H12	0.5°	90.0°
H10	C28	C29	H11	1.2°	90.0°
H13	C31	C34	H15	0.2°	90.0°
H13	C31	C35	H16	1.7°	90.0°
H14	C32	C35	H16	4.7°	90.0°
H17	C39	C40	H18	2.9°	90.0°
H20	C42	N43	H30	34.9°	90.0°
H21	C42	N43	H30	162.8°	90.0°
H22	C45	C46	H24	152.5°	90.0°
H22	C45	C46	H25	92.5°	90.0°
H23	C45	C46	H24	29.3°	90.0°
H23	C45	C46	H25	144.3°	90.0°
H26	C49	C50	H27	0.7°	90.0°
H28	C51	C52	H29	0.0°	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:	8EWN