WZN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C60	C61	doub	0.00Å	1.40Å	Aromatic
C60	N59	sing	0.00Å	1.34Å	Aromatic
C65	C56	sing	0.00Å	1.54Å
C36	C35	doub	0.00Å	1.40Å	Aromatic
C36	C33	sing	0.00Å	1.40Å	Aromatic
C61	C53	sing	0.00Å	1.40Å	Aromatic
C40	C39	doub	0.00Å	1.40Å	Aromatic
C40	C41	sing	0.00Å	1.40Å	Aromatic
C35	C32	sing	0.00Å	1.40Å	Aromatic
C39	C38	sing	0.00Å	1.40Å	Aromatic
N47	C46	sing	0.00Å	1.48Å
N47	C48	sing	0.00Å	1.47Å
C46	C33	sing	0.00Å	1.54Å
C64	C56	sing	0.00Å	1.54Å
N59	C58	doub	0.00Å	1.34Å	Aromatic
C33	C37	doub	0.00Å	1.39Å	Aromatic
C56	O55	sing	0.00Å	1.43Å
C56	C63	sing	0.00Å	1.54Å
C41	C09	doub	0.00Å	1.41Å	Aromatic
O55	C54	sing	0.00Å	1.43Å
C53	C50	sing	0.00Å	1.54Å
C53	C57	doub	0.00Å	1.40Å	Aromatic
C30	C29	doub	0.00Å	1.40Å	Aromatic
C30	C27	sing	0.00Å	1.39Å	Aromatic
C49	C48	sing	0.00Å	1.54Å
C49	C50	sing	0.00Å	1.54Å
C49	N52	sing	0.00Å	1.47Å
C48	O51	doub	0.00Å	1.21Å
C38	C13	doub	0.00Å	1.40Å	Aromatic
C32	C29	sing	0.00Å	1.42Å
C32	N34	doub	0.00Å	1.30Å	Aromatic
C58	C57	sing	0.00Å	1.40Å	Aromatic
C29	N14	sing	0.00Å	1.34Å	Aromatic
C37	N34	sing	0.00Å	1.35Å	Aromatic
C27	C31	doub	0.00Å	1.40Å	Aromatic
C09	C13	sing	0.00Å	1.41Å	Aromatic
C09	C12	sing	0.00Å	1.34Å	Aromatic
N34	IR07	sing	0.00Å	2.02Å
C54	N52	sing	0.00Å	1.47Å
C54	O62	doub	0.00Å	1.21Å
C13	N10	sing	0.00Å	1.36Å	Aromatic
C12	C11	doub	0.00Å	1.37Å	Aromatic
N14	C28	doub	0.00Å	1.35Å	Aromatic
N14	IR07	sing	0.00Å	2.06Å
C31	C28	sing	0.00Å	1.40Å	Aromatic
N10	IR07	sing	0.00Å	2.03Å
N10	C08	doub	0.00Å	1.35Å	Aromatic
C43	C42	doub	0.00Å	1.40Å	Aromatic
C43	C44	sing	0.00Å	1.40Å	Aromatic
C42	C26	sing	0.00Å	1.40Å	Aromatic
IR07	N23	sing	0.00Å	1.99Å
IR07	C15	sing	0.00Å	1.99Å
IR07	C03	sing	0.00Å	2.01Å
C11	C08	sing	0.00Å	1.41Å	Aromatic
C08	C06	sing	0.00Å	1.49Å
C44	C45	doub	0.00Å	1.40Å	Aromatic
C26	N23	doub	0.00Å	1.34Å	Aromatic
C26	C22	sing	0.00Å	1.40Å	Aromatic
N23	C21	sing	0.00Å	1.35Å	Aromatic
C17	C15	doub	0.00Å	1.40Å	Aromatic
C17	C20	sing	0.00Å	1.40Å	Aromatic
C15	C18	sing	0.00Å	1.40Å	Aromatic
C45	C22	sing	0.00Å	1.41Å	Aromatic
C22	C25	doub	0.00Å	1.40Å	Aromatic
C21	C18	sing	0.00Å	1.51Å
C21	C24	doub	0.00Å	1.40Å	Aromatic
C18	C19	doub	0.00Å	1.40Å	Aromatic
C20	C16	doub	0.00Å	1.40Å	Aromatic
C06	C03	doub	0.00Å	1.40Å	Aromatic
C06	C02	sing	0.00Å	1.40Å	Aromatic
C03	C01	sing	0.00Å	1.40Å	Aromatic
C25	C24	sing	0.00Å	1.40Å	Aromatic
C19	C16	sing	0.00Å	1.40Å	Aromatic
C02	C05	doub	0.00Å	1.40Å	Aromatic
C01	C04	doub	0.00Å	1.40Å	Aromatic
C05	C04	sing	0.00Å	1.40Å	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	120.6°	90.0°
C60	C61	C53	119.0°	90.0°
C61	C60	H35	119.7°	90.0°
C60	C61	H36	120.5°	90.0°
C60	N59	C58	121.5°	90.0°
N59	C60	H35	119.7°	90.0°
C65	C56	C64	108.8°	90.0°
C65	C56	O55	108.1°	90.0°
C65	C56	C63	108.4°	90.0°
C56	C65	H43	109.5°	90.0°
C56	C65	H44	109.5°	90.0°
C56	C65	H45	109.5°	90.0°
C35	C36	C33	117.1°	90.0°
C36	C35	C32	119.1°	90.0°
C36	C35	H17	120.4°	90.0°
C35	C36	H18	121.4°	90.0°
C36	C33	C46	122.6°	90.0°
C36	C33	C37	118.3°	90.0°
C33	C36	H18	121.5°	90.0°
C61	C53	C50	120.7°	90.0°
C61	C53	C57	119.1°	90.0°
C53	C61	H36	120.5°	90.0°
C39	C40	C41	118.8°	90.0°
C40	C39	C38	120.0°	90.0°
C40	C39	H21	120.0°	90.0°
C39	C40	H22	120.6°	90.0°
C40	C41	C09	120.9°	90.0°
C41	C40	H22	120.6°	90.0°
C40	C41	H23	119.5°	90.0°
C35	C32	C29	129.8°	90.0°
C35	C32	N34	124.1°	90.0°
C32	C35	H17	120.4°	90.0°
C39	C38	C13	122.4°	90.0°
C39	C38	H20	118.8°	90.0°
C38	C39	H21	120.0°	90.0°
C46	N47	C48	122.0°	90.0°
N47	C46	C33	117.4°	90.0°
N47	C46	H28	107.4°	90.0°
N47	C46	H29	107.5°	90.0°
C46	N47	H46	119.0°	90.0°
N47	C48	C49	130.9°	90.0°
N47	C48	O51	115.1°	90.0°
C48	N47	H46	119.0°	90.0°
C46	C33	C37	119.2°	90.0°
C33	C46	H28	107.4°	90.0°
C33	C46	H29	107.4°	90.0°
C64	C56	O55	110.5°	90.0°
C64	C56	C63	108.8°	90.0°
C56	C64	H40	109.5°	90.0°
C56	C64	H41	109.5°	90.0°
C56	C64	H42	109.5°	90.0°
N59	C58	C57	120.7°	90.0°
N59	C58	H34	119.7°	90.0°
C33	C37	N34	124.3°	90.0°
C33	C37	H19	117.9°	90.0°
O55	C56	C63	112.1°	90.0°
C56	O55	C54	123.7°	90.0°
C56	C63	H37	109.5°	90.0°
C56	C63	H38	109.4°	90.0°
C56	C63	H39	109.5°	90.0°
C41	C09	C13	120.9°	90.0°
C41	C09	C12	118.2°	90.0°
C09	C41	H23	119.5°	90.0°
O55	C54	N52	129.8°	90.0°
O55	C54	O62	116.2°	90.0°
C50	C53	C57	120.2°	90.0°
C53	C50	C49	110.3°	90.0°
C53	C50	H31	109.3°	90.0°
C53	C50	H32	109.3°	90.0°
C53	C57	C58	119.1°	90.0°
C53	C57	H33	120.5°	90.0°
C29	C30	C27	117.5°	90.0°
C30	C29	C32	124.2°	90.0°
C30	C29	N14	126.8°	90.0°
C29	C30	H15	121.2°	90.0°
C30	C27	C31	117.4°	90.0°
C30	C27	H13	121.3°	90.0°
C27	C30	H15	121.2°	90.0°
C48	C49	C50	120.2°	90.0°
C48	C49	N52	103.4°	90.0°
C49	C48	O51	114.0°	90.0°
C48	C49	H30	109.5°	90.0°
C50	C49	N52	103.3°	90.0°
C50	C49	H30	109.5°	90.0°
C49	C50	H31	109.3°	90.0°
C49	C50	H32	109.3°	90.0°
C49	N52	C54	119.8°	90.0°
N52	C49	H30	110.5°	90.0°
C49	N52	H47	120.1°	90.0°
C38	C13	C09	117.0°	90.0°
C38	C13	N10	122.1°	90.0°
C13	C38	H20	118.8°	90.0°
C29	C32	N34	106.1°	90.0°
C32	C29	N14	109.1°	90.0°
C32	N34	C37	117.2°	90.0°
C32	N34	IR07	132.2°	90.0°
C58	C57	H33	120.5°	90.0°
C57	C58	H34	119.6°	90.0°
C29	N14	C28	114.8°	90.0°
C29	N14	IR07	126.7°	90.0°
C37	N34	IR07	110.5°	90.0°
N34	C37	H19	117.9°	90.0°
C27	C31	C28	120.2°	90.0°
C31	C27	H13	121.3°	90.0°
C27	C31	H16	119.9°	90.0°
C13	C09	C12	120.9°	90.0°
C09	C13	N10	120.8°	90.0°
C09	C12	C11	119.2°	90.0°
C09	C12	H6	120.4°	90.0°
N34	IR07	N14	65.9°	90.0°
N34	IR07	N10	93.9°	90.0°
N34	IR07	N23	92.0°	90.0°
N34	IR07	C15	122.7°	90.0°
N34	IR07	C03	157.2°	90.0°
N52	C54	O62	114.0°	90.0°
C54	N52	H47	120.1°	90.0°
C13	N10	IR07	132.1°	90.0°
C13	N10	C08	117.7°	90.0°
C12	C11	C08	119.5°	90.0°
C12	C11	H5	120.2°	90.0°
C11	C12	H6	120.4°	90.0°
C28	N14	IR07	118.5°	90.0°
N14	C28	C31	123.3°	90.0°
N14	C28	H14	118.3°	90.0°
N14	IR07	N10	79.2°	90.0°
N14	IR07	N23	110.6°	90.0°
N14	IR07	C15	158.5°	90.0°
N14	IR07	C03	91.6°	90.0°
C31	C28	H14	118.4°	90.0°
C28	C31	H16	119.9°	90.0°
IR07	N10	C08	110.2°	90.0°
N10	IR07	N23	170.0°	90.0°
N10	IR07	C15	80.5°	90.0°
N10	IR07	C03	84.9°	90.0°
N10	C08	C11	121.9°	90.0°
N10	C08	C06	118.7°	90.0°
C42	C43	C44	119.3°	90.0°
C43	C42	C26	121.5°	90.0°
C43	C42	H24	119.3°	90.0°
C42	C43	H25	120.3°	90.0°
C43	C44	C45	119.7°	90.0°
C44	C43	H25	120.3°	90.0°
C43	C44	H26	120.2°	90.0°
C42	C26	N23	120.8°	90.0°
C42	C26	C22	119.0°	90.0°
C26	C42	H24	119.3°	90.0°
N23	IR07	C15	89.5°	90.0°
N23	IR07	C03	92.8°	90.0°
IR07	N23	C26	130.2°	90.0°
IR07	N23	C21	107.6°	90.0°
C15	IR07	C03	79.7°	90.0°
IR07	C15	C17	131.8°	90.0°
IR07	C15	C18	106.1°	90.0°
IR07	C03	C06	111.4°	90.0°
IR07	C03	C01	126.0°	90.0°
C11	C08	C06	119.4°	90.0°
C08	C11	H5	120.3°	90.0°
C08	C06	C03	114.8°	90.0°
C08	C06	C02	127.1°	90.0°
C44	C45	C22	120.5°	90.0°
C45	C44	H26	120.1°	90.0°
C44	C45	H27	119.7°	90.0°
N23	C26	C22	120.1°	90.0°
C26	N23	C21	122.0°	90.0°
C26	C22	C45	119.9°	90.0°
C26	C22	C25	119.4°	90.0°
N23	C21	C18	118.6°	90.0°
N23	C21	C24	120.1°	90.0°
C15	C17	C20	118.3°	90.0°
C17	C15	C18	120.8°	90.0°
C15	C17	H8	120.9°	90.0°
C17	C20	C16	120.8°	90.0°
C20	C17	H8	120.8°	90.0°
C17	C20	H10	119.6°	90.0°
C15	C18	C21	117.6°	90.0°
C15	C18	C19	120.3°	90.0°
C45	C22	C25	120.6°	90.0°
C22	C45	H27	119.7°	90.0°
C22	C25	C24	118.7°	90.0°
C22	C25	H12	120.7°	90.0°
C18	C21	C24	121.3°	90.0°
C21	C18	C19	122.0°	90.0°
C21	C24	C25	119.5°	90.0°
C21	C24	H11	120.2°	90.0°
C18	C19	C16	118.7°	90.0°
C18	C19	H9	120.6°	90.0°
C20	C16	C19	120.5°	90.0°
C20	C16	H7	119.7°	90.0°
C16	C20	H10	119.6°	90.0°
C03	C06	C02	118.2°	90.0°
C06	C03	C01	122.5°	90.0°
C06	C02	C05	120.6°	90.0°
C06	C02	H2	119.7°	90.0°
C03	C01	C04	118.5°	90.0°
C03	C01	H1	120.7°	90.0°
C25	C24	H11	120.2°	90.0°
C24	C25	H12	120.6°	90.0°
C19	C16	H7	119.8°	90.0°
C16	C19	H9	120.6°	90.0°
C02	C05	C04	120.4°	90.0°
C05	C02	H2	119.7°	90.0°
C02	C05	H4	119.8°	90.0°
C01	C04	C05	119.9°	90.0°
C04	C01	H1	120.8°	90.0°
C01	C04	H3	120.1°	90.0°
C05	C04	H3	120.1°	90.0°
C04	C05	H4	119.8°	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	109.4°	90.0°
H40	C64	H42	109.5°	90.0°
H41	C64	H42	109.5°	90.0°
H43	C65	H44	109.4°	90.0°
H43	C65	H45	109.4°	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	0.2°	90.0°
C60	C61	C53	C50	179.7°	90.0°
C60	C61	C53	C57	0.5°	90.0°
N59	C60	C61	C53	0.1°	90.0°
C60	N59	C58	C57	0.0°	90.0°
C60	N59	C58	H34	180.0°	90.0°
N59	C60	C61	H36	179.9°	90.0°
C65	C56	C64	O55	118.6°	90.0°
C65	C56	C64	C63	117.9°	90.0°
C65	C56	O55	C63	119.4°	90.0°
C65	C56	O55	C54	170.9°	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	180.0°	90.0°
C65	C56	C64	H41	60.0°	90.0°
C65	C56	C64	H42	60.0°	90.0°
C56	C65	H43	H44	120.0°	90.0°
C56	C65	H43	H45	120.0°	90.0°
C56	C65	H44	H45	120.0°	90.0°
C35	C36	C33	H18	180.0°	90.0°
C36	C35	C32	H17	180.0°	90.0°
C35	C36	C33	C46	179.4°	90.0°
C35	C36	C33	C37	0.1°	90.0°
C36	C35	C32	C29	179.9°	90.0°
C36	C35	C32	N34	1.0°	90.0°
C33	C36	C35	C32	0.3°	90.0°
C36	C33	C46	N47	103.9°	90.0°
C36	C33	C46	C37	179.3°	90.0°
C36	C33	C37	N34	0.5°	90.0°
C33	C36	C35	H17	179.7°	90.0°
C36	C33	C37	H19	179.5°	90.0°
C36	C33	C46	H28	17.3°	90.0°
C36	C33	C46	H29	135.0°	90.0°
C61	C53	C50	C57	179.8°	90.0°
C61	C53	C50	C49	83.3°	90.0°
C61	C53	C57	C58	0.6°	90.0°
C61	C53	C50	H31	36.8°	90.0°
C61	C53	C50	H32	156.6°	90.0°
C61	C53	C57	H33	179.4°	90.0°
C53	C61	C60	H35	179.9°	90.0°
C39	C40	C41	H22	180.0°	90.0°
C40	C39	C38	H21	180.0°	90.0°
C39	C40	C41	C09	0.0°	90.0°
C40	C39	C38	C13	0.4°	90.0°
C40	C39	C38	H20	179.6°	90.0°
C39	C40	C41	H23	180.0°	90.0°
C41	C40	C39	C38	0.2°	90.0°
C40	C41	C09	H23	180.0°	90.0°
C40	C41	C09	C13	0.1°	90.0°
C40	C41	C09	C12	180.0°	90.0°
C41	C40	C39	H21	179.9°	90.0°
C35	C32	C29	C30	0.0°	90.0°
C35	C32	C29	N34	179.2°	90.0°
C35	C32	C29	N14	179.9°	90.0°
C35	C32	N34	C37	1.4°	90.0°
C35	C32	N34	IR07	178.8°	90.0°
C32	C35	C36	H18	179.7°	90.0°
C39	C38	C13	H20	180.0°	90.0°
C39	C38	C13	C09	0.4°	90.0°
C39	C38	C13	N10	179.7°	90.0°
C38	C39	C40	H22	179.8°	90.0°
C46	N47	C48	H46	180.0°	90.0°
N47	C46	C33	H28	121.2°	90.0°
N47	C46	C33	H29	121.2°	90.0°
N47	C46	C33	C37	75.4°	90.0°
C46	N47	C48	C49	179.7°	90.0°
C46	N47	C48	O51	0.4°	90.0°
N47	C46	H28	H29	116.4°	90.0°
C48	N47	C46	C33	95.7°	90.0°
N47	C48	C49	O51	179.9°	90.0°
N47	C48	C49	C50	110.5°	90.0°
N47	C48	C49	N52	135.2°	90.0°
C48	N47	C46	H28	143.1°	90.0°
C48	N47	C46	H29	25.4°	90.0°
N47	C48	C49	H30	17.5°	90.0°
C46	C33	C37	N34	179.9°	90.0°
C46	C33	C36	H18	0.5°	90.0°
C46	C33	C37	H19	0.1°	90.0°
C33	C46	H28	H29	116.4°	90.0°
C33	C46	N47	H46	84.3°	90.0°
C64	C56	O55	C63	121.5°	90.0°
C64	C56	O55	C54	70.1°	90.0°
C64	C56	C63	H37	61.8°	90.0°
C64	C56	C63	H38	58.2°	90.0°
C64	C56	C63	H39	178.2°	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	180.0°	90.0°
C64	C56	C65	H44	60.0°	90.0°
C64	C56	C65	H45	60.0°	90.0°
N59	C58	C57	C53	0.4°	90.0°
N59	C58	C57	H34	180.0°	90.0°
N59	C58	C57	H33	179.7°	90.0°
C58	N59	C60	H35	179.8°	90.0°
C33	C37	N34	C32	1.1°	90.0°
C33	C37	N34	H19	180.0°	90.0°
C33	C37	N34	IR07	179.1°	90.0°
C37	C33	C36	H18	179.9°	90.0°
C37	C33	C46	H28	163.4°	90.0°
C37	C33	C46	H29	45.7°	90.0°
C56	O55	C54	N52	122.6°	90.0°
C56	O55	C54	O62	58.7°	90.0°
O55	C56	C63	H37	60.7°	90.0°
O55	C56	C63	H38	179.3°	90.0°
O55	C56	C63	H39	59.3°	90.0°
O55	C56	C64	H40	61.4°	90.0°
O55	C56	C64	H41	58.6°	90.0°
O55	C56	C64	H42	178.6°	90.0°
O55	C56	C65	H43	59.9°	90.0°
O55	C56	C65	H44	179.9°	90.0°
O55	C56	C65	H45	60.1°	90.0°
C63	C56	O55	C54	51.5°	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	62.1°	90.0°
C63	C56	C64	H41	177.9°	90.0°
C63	C56	C64	H42	58.0°	90.0°
C63	C56	C65	H43	61.8°	90.0°
C63	C56	C65	H44	58.2°	90.0°
C63	C56	C65	H45	178.2°	90.0°
C41	C09	C13	C38	0.3°	90.0°
C41	C09	C13	C12	179.9°	90.0°
C41	C09	C13	N10	179.6°	90.0°
C41	C09	C12	C11	179.9°	90.0°
C41	C09	C12	H6	0.1°	90.0°
C09	C41	C40	H22	180.0°	90.0°
O55	C54	N52	C49	1.0°	90.0°
O55	C54	N52	O62	178.7°	90.0°
O55	C54	N52	H47	179.0°	90.0°
C53	C50	C49	C48	168.5°	90.0°
C53	C50	C49	H31	120.1°	90.0°
C53	C50	C49	H32	120.1°	90.0°
C53	C50	C49	N52	77.2°	90.0°
C50	C53	C57	C58	179.6°	90.0°
C53	C50	C49	H30	40.6°	90.0°
C53	C50	H31	H32	119.7°	90.0°
C50	C53	C57	H33	0.4°	90.0°
C50	C53	C61	H36	0.2°	90.0°
C57	C53	C50	C49	96.5°	90.0°
C53	C57	C58	H33	180.0°	90.0°
C57	C53	C50	H31	143.4°	90.0°
C57	C53	C50	H32	23.6°	90.0°
C53	C57	C58	H34	179.7°	90.0°
C57	C53	C61	H36	179.6°	90.0°
C29	C30	C27	H15	180.0°	90.0°
C30	C29	C32	N14	179.9°	90.0°
C30	C29	C32	N34	179.2°	90.0°
C29	C30	C27	C31	0.0°	90.0°
C30	C29	N14	C28	0.4°	90.0°
C30	C29	N14	IR07	179.7°	90.0°
C29	C30	C27	H13	180.0°	90.0°
C27	C30	C29	C32	180.0°	90.0°
C27	C30	C29	N14	0.1°	90.0°
C30	C27	C31	H13	180.0°	90.0°
C30	C27	C31	C28	0.2°	90.0°
C30	C27	C31	H16	179.9°	90.0°
C48	C49	C50	N52	114.3°	90.0°
C48	C49	C50	H30	127.9°	90.0°
C48	C49	N52	H30	117.0°	90.0°
C48	C49	N52	C54	110.4°	90.0°
C48	C49	C50	H31	48.4°	90.0°
C48	C49	C50	H32	71.3°	90.0°
C49	C48	N47	H46	0.3°	90.0°
C48	C49	N52	H47	69.6°	90.0°
C50	C49	N52	H30	117.1°	90.0°
C50	C49	C48	O51	69.4°	90.0°
C50	C49	N52	C54	123.7°	90.0°
C49	C50	H31	H32	119.6°	90.0°
C50	C49	N52	H47	56.3°	90.0°
N52	C49	C48	O51	44.9°	90.0°
C49	N52	C54	H47	180.0°	90.0°
C49	N52	C54	O62	179.7°	90.0°
N52	C49	C50	H31	162.7°	90.0°
N52	C49	C50	H32	43.0°	90.0°
O51	C48	C49	H30	162.7°	90.0°
O51	C48	N47	H46	179.6°	90.0°
C38	C13	C09	N10	179.3°	90.0°
C38	C13	C09	C12	179.8°	90.0°
C38	C13	N10	IR07	2.0°	90.0°
C38	C13	N10	C08	179.7°	90.0°
C13	C38	C39	H21	179.6°	90.0°
C29	C32	N34	C37	179.4°	90.0°
C29	C32	N34	IR07	1.9°	90.0°
C32	C29	N14	C28	179.7°	90.0°
C32	C29	N14	IR07	0.2°	90.0°
C32	C29	C30	H15	0.0°	90.0°
C29	C32	C35	H17	0.1°	90.0°
N34	C32	C29	N14	0.8°	90.0°
C32	N34	C37	IR07	178.0°	90.0°
C32	N34	IR07	N14	1.6°	90.0°
C32	N34	IR07	N10	74.8°	90.0°
C32	N34	IR07	N23	113.3°	90.0°
C32	N34	IR07	C15	156.0°	90.0°
C32	N34	IR07	C03	11.2°	90.0°
N34	C32	C35	H17	179.0°	90.0°
C32	N34	C37	H19	178.9°	90.0°
C29	N14	IR07	N34	0.8°	90.0°
C29	N14	C28	IR07	179.9°	90.0°
C29	N14	C28	C31	0.5°	90.0°
C29	N14	IR07	N10	98.4°	90.0°
C29	N14	IR07	N23	83.5°	90.0°
C29	N14	IR07	C15	117.8°	90.0°
C29	N14	IR07	C03	177.1°	90.0°
C29	N14	C28	H14	179.5°	90.0°
N14	C29	C30	H15	179.9°	90.0°
C37	N34	IR07	N14	179.2°	90.0°
C37	N34	IR07	N10	102.8°	90.0°
C37	N34	IR07	N23	69.1°	90.0°
C37	N34	IR07	C15	21.6°	90.0°
C37	N34	IR07	C03	171.2°	90.0°
C27	C31	C28	N14	0.5°	90.0°
C27	C31	C28	H16	180.0°	90.0°
C27	C31	C28	H14	179.5°	90.0°
C31	C27	C30	H15	180.0°	90.0°
C13	C09	C12	C11	0.0°	90.0°
C09	C13	N10	IR07	178.7°	90.0°
C09	C13	N10	C08	1.0°	90.0°
C13	C09	C12	H6	180.0°	90.0°
C09	C13	C38	H20	179.6°	90.0°
C13	C09	C41	H23	179.9°	90.0°
C12	C09	C13	N10	0.5°	90.0°
C09	C12	C11	H6	180.0°	90.0°
C09	C12	C11	C08	0.1°	90.0°
C09	C12	C11	H5	179.9°	90.0°
C12	C09	C41	H23	0.0°	90.0°
N34	IR07	N10	C13	22.8°	90.0°
N34	IR07	N14	C28	179.1°	90.0°
N34	IR07	N14	N10	99.2°	90.0°
N34	IR07	N14	N23	82.7°	90.0°
N34	IR07	N14	C15	118.6°	90.0°
N34	IR07	N14	C03	176.3°	90.0°
N34	IR07	N10	N23	125.9°	90.0°
N34	IR07	N10	C15	122.5°	90.0°
N34	IR07	N10	C03	157.1°	90.0°
N34	IR07	N10	C08	155.0°	90.0°
N34	IR07	N23	C15	122.7°	90.0°
N34	IR07	N23	C03	157.7°	90.0°
N34	IR07	C15	C03	175.0°	90.0°
N34	IR07	N23	C26	58.7°	90.0°
N34	IR07	N23	C21	116.6°	90.0°
N34	IR07	C15	C17	81.3°	90.0°
N34	IR07	C15	C18	84.7°	90.0°
N34	IR07	C03	C06	85.6°	90.0°
N34	IR07	C03	C01	90.9°	90.0°
IR07	N34	C37	H19	0.9°	90.0°
C54	N52	C49	H30	6.6°	90.0°
O62	C54	N52	H47	0.3°	90.0°
C13	N10	IR07	N14	87.4°	90.0°
C13	N10	IR07	C08	177.8°	90.0°
C13	N10	IR07	N23	103.1°	90.0°
C13	N10	IR07	C15	99.7°	90.0°
C13	N10	IR07	C03	179.9°	90.0°
C13	N10	C08	C11	1.2°	90.0°
C13	N10	C08	C06	179.9°	90.0°
N10	C13	C38	H20	0.2°	90.0°
C12	C11	C08	N10	0.7°	90.0°
C12	C11	C08	H5	180.0°	90.0°
C12	C11	C08	C06	179.6°	90.0°
N14	C28	C31	H14	180.0°	90.0°
C28	N14	IR07	N10	81.7°	90.0°
C28	N14	IR07	N23	96.4°	90.0°
C28	N14	IR07	C15	62.4°	90.0°
C28	N14	IR07	C03	2.8°	90.0°
N14	C28	C31	H16	179.6°	90.0°
IR07	N14	C28	C31	179.6°	90.0°
N14	IR07	N10	N23	169.5°	90.0°
N14	IR07	N10	C15	172.9°	90.0°
N14	IR07	N10	C03	92.6°	90.0°
N14	IR07	N10	C08	90.4°	90.0°
N14	IR07	N23	C15	172.4°	90.0°
N14	IR07	N23	C03	92.7°	90.0°
N14	IR07	C15	C03	67.2°	90.0°
N14	IR07	N23	C26	6.3°	90.0°
N14	IR07	N23	C21	178.4°	90.0°
N14	IR07	C15	C17	26.4°	90.0°
N14	IR07	C15	C18	167.5°	90.0°
N14	IR07	C03	C06	76.9°	90.0°
N14	IR07	C03	C01	99.7°	90.0°
IR07	N14	C28	H14	0.4°	90.0°
C28	C31	C27	H13	179.8°	90.0°
N10	IR07	N23	C15	3.4°	90.0°
N10	IR07	N23	C03	76.3°	90.0°
N10	IR07	C15	C03	86.5°	90.0°
IR07	N10	C08	C11	179.3°	90.0°
IR07	N10	C08	C06	1.8°	90.0°
N10	IR07	N23	C26	175.3°	90.0°
N10	IR07	N23	C21	9.4°	90.0°
N10	IR07	C15	C17	7.2°	90.0°
N10	IR07	C15	C18	173.2°	90.0°
N10	IR07	C03	C06	2.2°	90.0°
N10	IR07	C03	C01	178.7°	90.0°
C08	N10	IR07	N23	79.1°	90.0°
C08	N10	IR07	C15	82.5°	90.0°
C08	N10	IR07	C03	2.2°	90.0°
N10	C08	C11	C06	178.9°	90.0°
N10	C08	C06	C03	0.1°	90.0°
N10	C08	C06	C02	179.9°	90.0°
N10	C08	C11	H5	179.3°	90.0°
C42	C43	C44	H25	180.0°	90.0°
C43	C42	C26	H24	180.0°	90.0°
C42	C43	C44	C45	0.0°	90.0°
C43	C42	C26	N23	179.1°	90.0°
C43	C42	C26	C22	0.0°	90.0°
C42	C43	C44	H26	180.0°	90.0°
C44	C43	C42	C26	0.0°	90.0°
C43	C44	C45	H26	180.0°	90.0°
C43	C44	C45	C22	0.0°	90.0°
C44	C43	C42	H24	180.0°	90.0°
C43	C44	C45	H27	180.0°	90.0°
C42	C26	N23	IR07	4.4°	90.0°
C42	C26	N23	C22	179.1°	90.0°
C42	C26	N23	C21	179.1°	90.0°
C42	C26	C22	C45	0.0°	90.0°
C42	C26	C22	C25	180.0°	90.0°
C26	C42	C43	H25	180.0°	90.0°
N23	IR07	C15	C03	92.9°	90.0°
IR07	N23	C26	C21	174.7°	90.0°
IR07	N23	C26	C22	176.5°	90.0°
N23	IR07	C15	C17	173.4°	90.0°
N23	IR07	C15	C18	7.4°	90.0°
IR07	N23	C21	C18	3.3°	90.0°
IR07	N23	C21	C24	177.1°	90.0°
N23	IR07	C03	C06	172.4°	90.0°
N23	IR07	C03	C01	11.1°	90.0°
C15	IR07	N23	C26	178.6°	90.0°
C15	IR07	N23	C21	6.0°	90.0°
IR07	C15	C17	C18	164.3°	90.0°
IR07	C15	C17	C20	172.9°	90.0°
IR07	C15	C18	C21	7.4°	90.0°
IR07	C15	C18	C19	176.3°	90.0°
C15	IR07	C03	C06	83.4°	90.0°
C15	IR07	C03	C01	100.0°	90.0°
IR07	C15	C17	H8	7.1°	90.0°
IR07	C03	C06	C08	1.8°	90.0°
C03	IR07	N23	C26	99.0°	90.0°
C03	IR07	N23	C21	85.7°	90.0°
C03	IR07	C15	C17	93.7°	90.0°
C03	IR07	C15	C18	100.3°	90.0°
IR07	C03	C06	C01	176.7°	90.0°
IR07	C03	C06	C02	178.3°	90.0°
IR07	C03	C01	C04	178.2°	90.0°
IR07	C03	C01	H1	1.8°	90.0°
C11	C08	C06	C03	179.0°	90.0°
C11	C08	C06	C02	0.9°	90.0°
C08	C11	C12	H6	179.9°	90.0°
C08	C06	C03	C02	179.9°	90.0°
C08	C06	C03	C01	178.4°	90.0°
C08	C06	C02	C05	179.7°	90.0°
C08	C06	C02	H2	0.3°	90.0°
C06	C08	C11	H5	0.4°	90.0°
C44	C45	C22	C26	0.0°	90.0°
C44	C45	C22	H27	180.0°	90.0°
C44	C45	C22	C25	180.0°	90.0°
C45	C44	C43	H25	180.0°	90.0°
N23	C26	C22	C45	179.1°	90.0°
N23	C26	C22	C25	0.9°	90.0°
C26	N23	C21	C18	179.1°	90.0°
C26	N23	C21	C24	1.3°	90.0°
N23	C26	C42	H24	0.9°	90.0°
C22	C26	N23	C21	1.8°	90.0°
C26	C22	C45	C25	180.0°	90.0°
C26	C22	C25	C24	0.4°	90.0°
C26	C22	C25	H12	179.6°	90.0°
C22	C26	C42	H24	180.0°	90.0°
C26	C22	C45	H27	180.0°	90.0°
N23	C21	C18	C15	3.0°	90.0°
N23	C21	C18	C24	179.6°	90.0°
N23	C21	C18	C19	179.2°	90.0°
N23	C21	C24	C25	0.1°	90.0°
N23	C21	C24	H11	179.9°	90.0°
C15	C17	C20	H8	180.0°	90.0°
C17	C15	C18	C21	175.3°	90.0°
C17	C15	C18	C19	8.4°	90.0°
C15	C17	C20	C16	4.7°	90.0°
C15	C17	C20	H10	175.4°	90.0°
C20	C17	C15	C18	8.6°	90.0°
C17	C20	C16	H10	180.0°	90.0°
C17	C20	C16	C19	0.6°	90.0°
C17	C20	C16	H7	179.4°	90.0°
C15	C18	C21	C19	176.2°	90.0°
C15	C18	C21	C24	176.6°	90.0°
C15	C18	C19	C16	4.1°	90.0°
C18	C15	C17	H8	171.5°	90.0°
C15	C18	C19	H9	175.9°	90.0°
C45	C22	C25	C24	179.6°	90.0°
C45	C22	C25	H12	0.4°	90.0°
C22	C45	C44	H26	180.0°	90.0°
C22	C25	C24	C21	0.8°	90.0°
C22	C25	C24	H12	180.0°	90.0°
C22	C25	C24	H11	179.1°	90.0°
C25	C22	C45	H27	0.0°	90.0°
C18	C21	C24	C25	179.5°	90.0°
C21	C18	C19	C16	179.8°	90.0°
C21	C18	C19	H9	0.2°	90.0°
C18	C21	C24	H11	0.5°	90.0°
C24	C21	C18	C19	0.4°	90.0°
C21	C24	C25	H11	180.0°	90.0°
C21	C24	C25	H12	179.1°	90.0°
C18	C19	C16	C20	0.2°	90.0°
C18	C19	C16	H9	180.0°	90.0°
C18	C19	C16	H7	179.8°	90.0°
C20	C16	C19	H7	180.0°	90.0°
C16	C20	C17	H8	175.3°	90.0°
C20	C16	C19	H9	179.8°	90.0°
C03	C06	C02	C05	0.3°	90.0°
C06	C03	C01	C04	2.0°	90.0°
C06	C03	C01	H1	178.0°	90.0°
C03	C06	C02	H2	179.7°	90.0°
C02	C06	C03	C01	1.6°	90.0°
C06	C02	C05	H2	180.0°	90.0°
C06	C02	C05	C04	0.5°	90.0°
C06	C02	C05	H4	179.5°	90.0°
C03	C01	C04	H1	180.0°	90.0°
C03	C01	C04	C05	1.1°	90.0°
C03	C01	C04	H3	178.9°	90.0°
C19	C16	C20	H10	179.5°	90.0°
C02	C05	C04	C01	0.2°	90.0°
C02	C05	C04	H4	180.0°	90.0°
C02	C05	C04	H3	179.8°	90.0°
C01	C04	C05	H3	180.0°	90.0°
C01	C04	C05	H4	179.9°	90.0°
C05	C04	C01	H1	178.9°	90.0°
C04	C05	C02	H2	179.5°	90.0°
H1	C01	C04	H3	1.1°	90.0°
H2	C02	C05	H4	0.5°	90.0°
H3	C04	C05	H4	0.1°	90.0°
H5	C11	C12	H6	0.1°	90.0°
H7	C16	C19	H9	0.2°	90.0°
H7	C16	C20	H10	0.5°	90.0°
H8	C17	C20	H10	4.6°	90.0°
H11	C24	C25	H12	0.9°	90.0°
H13	C27	C30	H15	0.0°	90.0°
H13	C27	C31	H16	0.1°	90.0°
H14	C28	C31	H16	0.4°	90.0°
H17	C35	C36	H18	0.3°	90.0°
H20	C38	C39	H21	0.4°	90.0°
H21	C39	C40	H22	0.2°	90.0°
H22	C40	C41	H23	0.0°	90.0°
H24	C42	C43	H25	0.0°	90.0°
H25	C43	C44	H26	0.0°	90.0°
H26	C44	C45	H27	0.0°	90.0°
H28	C46	N47	H46	36.9°	90.0°
H29	C46	N47	H46	154.6°	90.0°
H30	C49	C50	H31	79.5°	90.0°
H30	C49	C50	H32	160.7°	90.0°
H30	C49	N52	H47	173.4°	90.0°
H33	C57	C58	H34	0.3°	90.0°
H35	C60	C61	H36	0.0°	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:	2022-10-24
Last modified:	2023-01-27
Release status:	REL
Processing site:	RCSB
Derived from:	8EWD