X2Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C33	C32	doub	0.00Å	1.40Å	Aromatic
C33	C34	sing	0.00Å	1.40Å	Aromatic
C32	C31	sing	0.00Å	1.40Å	Aromatic
C34	C29	doub	0.00Å	1.40Å	Aromatic
C44	C43	doub	0.00Å	1.40Å	Aromatic
C44	C40	sing	0.00Å	1.40Å	Aromatic
C43	C42	sing	0.00Å	1.40Å	Aromatic
C45	C46	doub	0.00Å	1.40Å	Aromatic
C45	C39	sing	0.00Å	1.40Å	Aromatic
C46	C47	sing	0.00Å	1.40Å	Aromatic
C31	C30	doub	0.00Å	1.40Å	Aromatic
C59	C60	doub	0.00Å	1.40Å	Aromatic
C59	C58	sing	0.00Å	1.40Å	Aromatic
C60	N61	sing	0.00Å	1.34Å	Aromatic
C29	C30	sing	0.00Å	1.40Å	Aromatic
C29	C28	sing	0.00Å	1.40Å	Aromatic
C40	C39	sing	0.00Å	1.38Å
C40	N04	doub	0.00Å	1.34Å	Aromatic
C39	N03	doub	0.00Å	1.34Å	Aromatic
C42	C41	doub	0.00Å	1.40Å	Aromatic
C30	N02	sing	0.00Å	1.35Å	Aromatic
C47	C49	sing	0.00Å	1.54Å
C47	C48	doub	0.00Å	1.40Å	Aromatic
C28	C27	doub	0.00Å	1.40Å	Aromatic
N53	C49	sing	0.00Å	1.46Å
N53	C54	sing	0.00Å	1.47Å
C56	C58	sing	0.00Å	1.54Å
C56	C55	sing	0.00Å	1.54Å
C58	C63	doub	0.00Å	1.39Å	Aromatic
N61	C62	doub	0.00Å	1.34Å	Aromatic
N04	C41	sing	0.00Å	1.34Å	Aromatic
N04	IR50	sing	0.00Å	2.02Å
N03	C48	sing	0.00Å	1.34Å	Aromatic
N03	IR50	sing	0.00Å	2.01Å
N02	C26	doub	0.00Å	1.33Å	Aromatic
N02	IR50	sing	0.00Å	2.11Å
C55	C54	sing	0.00Å	1.53Å
C54	O57	doub	0.00Å	1.20Å
C27	C26	sing	0.00Å	1.40Å	Aromatic
C62	C63	sing	0.00Å	1.40Å	Aromatic
C26	C25	sing	0.00Å	1.39Å
C20	C21	doub	0.00Å	1.40Å	Aromatic
C20	C19	sing	0.00Å	1.40Å	Aromatic
C21	C16	sing	0.00Å	1.40Å	Aromatic
IR50	C15	sing	0.00Å	2.02Å
IR50	N01	sing	0.00Å	2.02Å
IR50	C22	sing	0.00Å	2.02Å
C10	C11	doub	0.00Å	1.40Å	Aromatic
C10	C09	sing	0.00Å	1.40Å	Aromatic
C11	C12	sing	0.00Å	1.40Å	Aromatic
C19	C18	doub	0.00Å	1.40Å	Aromatic
C16	C15	sing	0.00Å	1.41Å	Aromatic
C16	C17	doub	0.00Å	1.40Å	Aromatic
C15	C14	doub	0.00Å	1.40Å	Aromatic
C25	C22	doub	0.00Å	1.41Å	Aromatic
C25	S52	sing	0.00Å	1.71Å	Aromatic
N01	C09	doub	0.00Å	1.35Å	Aromatic
N01	C05	sing	0.00Å	1.35Å	Aromatic
C09	C08	sing	0.00Å	1.40Å	Aromatic
C12	C13	doub	0.00Å	1.40Å	Aromatic
C22	C23	sing	0.00Å	1.41Å	Aromatic
C18	C17	sing	0.00Å	1.40Å	Aromatic
C17	S51	sing	0.00Å	1.71Å	Aromatic
C14	C05	sing	0.00Å	1.39Å
C14	S51	sing	0.00Å	1.72Å	Aromatic
C05	C06	doub	0.00Å	1.40Å	Aromatic
C08	C13	sing	0.00Å	1.40Å	Aromatic
C08	C07	doub	0.00Å	1.40Å	Aromatic
S52	C24	sing	0.00Å	1.71Å	Aromatic
C06	C07	sing	0.00Å	1.39Å	Aromatic
C23	C24	doub	0.00Å	1.40Å	Aromatic
C23	C38	sing	0.00Å	1.40Å	Aromatic
C24	C35	sing	0.00Å	1.40Å	Aromatic
C38	C37	doub	0.00Å	1.40Å	Aromatic
C35	C36	doub	0.00Å	1.40Å	Aromatic
C37	C36	sing	0.00Å	1.40Å	Aromatic
C06	H1	sing	0.00Å	1.08Å
C07	H2	sing	0.00Å	1.08Å
C10	H3	sing	0.00Å	1.08Å
C11	H4	sing	0.00Å	1.08Å
C12	H5	sing	0.00Å	1.08Å
C13	H6	sing	0.00Å	1.08Å
C18	H7	sing	0.00Å	1.08Å
C19	H8	sing	0.00Å	1.08Å
C20	H9	sing	0.00Å	1.08Å
C21	H10	sing	0.00Å	1.08Å
C27	H11	sing	0.00Å	1.08Å
C28	H12	sing	0.00Å	1.08Å
C31	H13	sing	0.00Å	1.08Å
C32	H14	sing	0.00Å	1.08Å
C33	H15	sing	0.00Å	1.08Å
C34	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
C41	H21	sing	0.00Å	1.08Å
C42	H22	sing	0.00Å	1.08Å
C43	H23	sing	0.00Å	1.08Å
C44	H24	sing	0.00Å	1.08Å
C45	H25	sing	0.00Å	1.08Å
C46	H26	sing	0.00Å	1.08Å
C48	H27	sing	0.00Å	1.08Å
C49	H28	sing	0.00Å	1.10Å
C49	H29	sing	0.00Å	1.10Å
C55	H30	sing	0.00Å	1.10Å
C55	H31	sing	0.00Å	1.10Å
C56	H32	sing	0.00Å	1.10Å
C56	H33	sing	0.00Å	1.10Å
C59	H34	sing	0.00Å	1.08Å
C60	H35	sing	0.00Å	1.08Å
C62	H36	sing	0.00Å	1.08Å
C63	H37	sing	0.00Å	1.08Å
N53	H38	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C32	C33	C34	119.5°	90.0°
C33	C32	C31	120.0°	90.0°
C33	C32	H14	120.0°	90.0°
C32	C33	H15	120.3°	90.0°
C33	C34	C29	120.3°	90.0°
C34	C33	H15	120.2°	90.0°
C33	C34	H16	119.8°	90.0°
C32	C31	C30	121.0°	90.0°
C32	C31	H13	119.5°	90.0°
C31	C32	H14	120.0°	90.0°
C34	C29	C30	120.5°	90.0°
C34	C29	C28	119.6°	90.0°
C29	C34	H16	119.9°	90.0°
C43	C44	C40	118.4°	90.0°
C44	C43	C42	118.4°	90.0°
C44	C43	H23	120.8°	90.0°
C43	C44	H24	120.8°	90.0°
C44	C40	C39	122.9°	90.0°
C44	C40	N04	122.7°	90.0°
C40	C44	H24	120.8°	90.0°
C43	C42	C41	119.8°	90.0°
C43	C42	H22	120.1°	90.0°
C42	C43	H23	120.8°	90.0°
C46	C45	C39	118.3°	90.0°
C45	C46	C47	118.7°	90.0°
C46	C45	H25	120.9°	90.0°
C45	C46	H26	120.6°	90.0°
C45	C39	C40	123.6°	90.0°
C45	C39	N03	122.2°	90.0°
C39	C45	H25	120.8°	90.0°
C46	C47	C49	118.2°	90.0°
C46	C47	C48	120.1°	90.0°
C47	C46	H26	120.7°	90.0°
C31	C30	C29	118.6°	90.0°
C31	C30	N02	121.5°	90.0°
C30	C31	H13	119.5°	90.0°
C60	C59	C58	119.0°	90.0°
C59	C60	N61	120.5°	90.0°
C60	C59	H34	120.5°	90.0°
C59	C60	H35	119.7°	90.0°
C59	C58	C56	119.6°	90.0°
C59	C58	C63	119.3°	90.0°
C58	C59	H34	120.5°	90.0°
C60	N61	C62	121.5°	90.0°
N61	C60	H35	119.7°	90.0°
C30	C29	C28	119.9°	90.0°
C29	C30	N02	119.8°	90.0°
C29	C28	C27	118.7°	90.0°
C29	C28	H12	120.7°	90.0°
C39	C40	N04	114.5°	90.0°
C40	C39	N03	114.2°	90.0°
C40	N04	C41	119.8°	90.0°
C40	N04	IR50	117.5°	90.0°
C39	N03	C48	120.7°	90.0°
C39	N03	IR50	117.7°	90.0°
C42	C41	N04	121.0°	90.0°
C42	C41	H21	119.5°	90.0°
C41	C42	H22	120.1°	90.0°
C30	N02	C26	120.9°	90.0°
C30	N02	IR50	125.9°	90.0°
C49	C47	C48	121.7°	90.0°
C47	C49	N53	111.4°	90.0°
C47	C49	H28	109.0°	90.0°
C47	C49	H29	109.0°	90.0°
C47	C48	N03	120.0°	90.0°
C47	C48	H27	120.0°	90.0°
C28	C27	C26	118.4°	90.0°
C28	C27	H11	120.8°	90.0°
C27	C28	H12	120.7°	90.0°
C49	N53	C54	118.6°	90.0°
N53	C49	H28	109.0°	90.0°
N53	C49	H29	109.0°	90.0°
C49	N53	H38	120.7°	90.0°
N53	C54	C55	119.0°	90.0°
N53	C54	O57	120.5°	90.0°
C54	N53	H38	120.7°	90.0°
C58	C56	C55	122.5°	90.0°
C56	C58	C63	121.0°	90.0°
C58	C56	H32	106.1°	90.0°
C58	C56	H33	106.1°	90.0°
C56	C55	C54	114.2°	90.0°
C56	C55	H30	108.3°	90.0°
C56	C55	H31	108.3°	90.0°
C55	C56	H32	106.1°	90.0°
C55	C56	H33	106.1°	90.0°
C58	C63	C62	118.8°	90.0°
C58	C63	H37	120.6°	90.0°
N61	C62	C63	120.8°	90.0°
N61	C62	H36	119.6°	90.0°
C41	N04	IR50	122.7°	90.0°
N04	C41	H21	119.5°	90.0°
N04	IR50	N03	76.2°	90.0°
N04	IR50	N02	105.6°	90.0°
N04	IR50	C15	88.2°	90.0°
N04	IR50	N01	77.9°	90.0°
N04	IR50	C22	167.8°	90.0°
C48	N03	IR50	121.6°	90.0°
N03	C48	H27	120.0°	90.0°
N03	IR50	N02	76.1°	90.0°
N03	IR50	C15	163.0°	90.0°
N03	IR50	N01	106.4°	90.0°
N03	IR50	C22	96.0°	90.0°
C26	N02	IR50	113.2°	90.0°
N02	C26	C27	122.2°	90.0°
N02	C26	C25	115.1°	90.0°
N02	IR50	C15	102.3°	90.0°
N02	IR50	N01	176.3°	90.0°
N02	IR50	C22	81.1°	90.0°
C55	C54	O57	120.5°	90.0°
C54	C55	H30	108.3°	90.0°
C54	C55	H31	108.3°	90.0°
C27	C26	C25	122.7°	90.0°
C26	C27	H11	120.8°	90.0°
C63	C62	H36	119.6°	90.0°
C62	C63	H37	120.6°	90.0°
C26	C25	C22	120.8°	90.0°
C26	C25	S52	128.3°	90.0°
C21	C20	C19	120.4°	90.0°
C20	C21	C16	118.7°	90.0°
C21	C20	H9	119.8°	90.0°
C20	C21	H10	120.7°	90.0°
C20	C19	C18	120.6°	90.0°
C20	C19	H8	119.7°	90.0°
C19	C20	H9	119.8°	90.0°
C21	C16	C15	124.6°	90.0°
C21	C16	C17	121.0°	90.0°
C16	C21	H10	120.7°	90.0°
C15	IR50	N01	76.2°	90.0°
C15	IR50	C22	100.5°	90.0°
IR50	C15	C16	131.2°	90.0°
IR50	C15	C14	119.3°	90.0°
N01	IR50	C22	95.8°	90.0°
IR50	N01	C09	122.9°	90.0°
IR50	N01	C05	117.3°	90.0°
IR50	C22	C25	110.0°	90.0°
IR50	C22	C23	137.0°	90.0°
C11	C10	C09	121.9°	90.0°
C10	C11	C12	119.7°	90.0°
C11	C10	H3	119.0°	90.0°
C10	C11	H4	120.1°	90.0°
C10	C09	N01	121.4°	90.0°
C10	C09	C08	117.7°	90.0°
C09	C10	H3	119.0°	90.0°
C11	C12	C13	119.1°	90.0°
C12	C11	H4	120.1°	90.0°
C11	C12	H5	120.5°	90.0°
C19	C18	C17	118.8°	90.0°
C19	C18	H7	120.6°	90.0°
C18	C19	H8	119.7°	90.0°
C15	C16	C17	114.4°	90.0°
C16	C15	C14	109.5°	90.0°
C16	C17	C18	120.5°	90.0°
C16	C17	S51	111.2°	90.0°
C15	C14	C05	109.7°	90.0°
C15	C14	S51	113.4°	90.0°
C22	C25	S52	111.0°	90.0°
C25	C22	C23	113.1°	90.0°
C25	S52	C24	92.4°	90.0°
C09	N01	C05	119.9°	90.0°
N01	C09	C08	120.9°	90.0°
N01	C05	C14	117.5°	90.0°
N01	C05	C06	122.1°	90.0°
C09	C08	C13	120.8°	90.0°
C09	C08	C07	119.5°	90.0°
C12	C13	C08	120.8°	90.0°
C13	C12	H5	120.4°	90.0°
C12	C13	H6	119.6°	90.0°
C22	C23	C24	111.1°	90.0°
C22	C23	C38	129.8°	90.0°
C18	C17	S51	128.3°	90.0°
C17	C18	H7	120.6°	90.0°
C17	S51	C14	91.4°	90.0°
C05	C14	S51	136.9°	90.0°
C14	C05	C06	120.3°	90.0°
C05	C06	C07	118.6°	90.0°
C05	C06	H1	120.7°	90.0°
C13	C08	C07	119.8°	90.0°
C08	C13	H6	119.6°	90.0°
C08	C07	C06	119.0°	90.0°
C08	C07	H2	120.5°	90.0°
S52	C24	C23	112.5°	90.0°
S52	C24	C35	126.6°	90.0°
C07	C06	H1	120.7°	90.0°
C06	C07	H2	120.5°	90.0°
C24	C23	C38	119.1°	90.0°
C23	C24	C35	120.9°	90.0°
C23	C38	C37	120.2°	90.0°
C23	C38	H20	119.9°	90.0°
C24	C35	C36	119.6°	90.0°
C24	C35	H17	120.2°	90.0°
C38	C37	C36	120.2°	90.0°
C38	C37	H19	119.9°	90.0°
C37	C38	H20	119.9°	90.0°
C35	C36	C37	120.0°	90.0°
C36	C35	H17	120.2°	90.0°
C35	C36	H18	120.0°	90.0°
C37	C36	H18	120.0°	90.0°
C36	C37	H19	119.9°	90.0°
H28	C49	H29	109.5°	90.0°
H30	C55	H31	109.5°	90.0°
H32	C56	H33	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C32	C33	C34	H15	180.0°	90.0°
C33	C32	C31	H14	180.0°	90.0°
C32	C33	C34	C29	0.0°	90.0°
C33	C32	C31	C30	0.3°	90.0°
C33	C32	C31	H13	179.6°	90.0°
C32	C33	C34	H16	180.0°	90.0°
C34	C33	C32	C31	0.2°	90.0°
C33	C34	C29	H16	180.0°	90.0°
C33	C34	C29	C30	0.1°	90.0°
C33	C34	C29	C28	179.9°	90.0°
C34	C33	C32	H14	179.8°	90.0°
C32	C31	C30	H13	180.0°	90.0°
C32	C31	C30	C29	0.4°	90.0°
C32	C31	C30	N02	179.9°	90.0°
C31	C32	C33	H15	179.8°	90.0°
C34	C29	C30	C31	0.2°	90.0°
C34	C29	C30	C28	180.0°	90.0°
C34	C29	C30	N02	180.0°	90.0°
C34	C29	C28	C27	180.0°	90.0°
C34	C29	C28	H12	0.0°	90.0°
C29	C34	C33	H15	180.0°	90.0°
C43	C44	C40	H24	180.0°	90.0°
C44	C43	C42	H23	180.0°	90.0°
C43	C44	C40	C39	179.8°	90.0°
C43	C44	C40	N04	0.1°	90.0°
C44	C43	C42	C41	0.2°	90.0°
C44	C43	C42	H22	179.8°	90.0°
C40	C44	C43	C42	0.1°	90.0°
C44	C40	C39	C45	0.5°	90.0°
C44	C40	C39	N04	179.7°	90.0°
C44	C40	C39	N03	179.5°	90.0°
C44	C40	N04	C41	0.3°	90.0°
C44	C40	N04	IR50	179.7°	90.0°
C40	C44	C43	H23	179.9°	90.0°
C43	C42	C41	H22	180.0°	90.0°
C43	C42	C41	N04	0.6°	90.0°
C43	C42	C41	H21	179.4°	90.0°
C42	C43	C44	H24	179.9°	90.0°
C46	C45	C39	H25	180.0°	90.0°
C45	C46	C47	H26	180.0°	90.0°
C46	C45	C39	C40	179.8°	90.0°
C46	C45	C39	N03	0.2°	90.0°
C45	C46	C47	C49	179.2°	90.0°
C45	C46	C47	C48	1.1°	90.0°
C39	C45	C46	C47	0.4°	90.0°
C45	C39	C40	N03	180.0°	90.0°
C45	C39	C40	N04	179.8°	90.0°
C45	C39	N03	C48	0.8°	90.0°
C45	C39	N03	IR50	179.6°	90.0°
C39	C45	C46	H26	179.6°	90.0°
C46	C47	C49	C48	178.1°	90.0°
C46	C47	C49	N53	50.4°	90.0°
C46	C47	C48	N03	1.6°	90.0°
C47	C46	C45	H25	179.6°	90.0°
C46	C47	C48	H27	178.4°	90.0°
C46	C47	C49	H28	170.7°	90.0°
C46	C47	C49	H29	69.9°	90.0°
C31	C30	C29	N02	179.7°	90.0°
C31	C30	C29	C28	179.7°	90.0°
C31	C30	N02	C26	179.7°	90.0°
C31	C30	N02	IR50	0.3°	90.0°
C30	C31	C32	H14	179.6°	90.0°
C60	C59	C58	H34	180.0°	90.0°
C59	C60	N61	H35	180.0°	90.0°
C60	C59	C58	C56	180.0°	90.0°
C60	C59	C58	C63	0.5°	90.0°
C59	C60	N61	C62	0.1°	90.0°
C58	C59	C60	N61	0.3°	90.0°
C59	C58	C56	C63	179.6°	90.0°
C59	C58	C56	C55	141.5°	90.0°
C59	C58	C63	C62	0.4°	90.0°
C59	C58	C56	H32	96.7°	90.0°
C59	C58	C56	H33	19.8°	90.0°
C58	C59	C60	H35	179.7°	90.0°
C59	C58	C63	H37	179.6°	90.0°
C60	N61	C62	C63	0.1°	90.0°
N61	C60	C59	H34	179.7°	90.0°
C60	N61	C62	H36	179.9°	90.0°
C30	C29	C28	C27	0.0°	90.0°
C29	C30	N02	C26	0.1°	90.0°
C29	C30	N02	IR50	179.9°	90.0°
C30	C29	C28	H12	180.0°	90.0°
C29	C30	C31	H13	179.6°	90.0°
C30	C29	C34	H16	179.9°	90.0°
C28	C29	C30	N02	0.0°	90.0°
C29	C28	C27	H12	180.0°	90.0°
C29	C28	C27	C26	0.1°	90.0°
C29	C28	C27	H11	179.9°	90.0°
C28	C29	C34	H16	0.1°	90.0°
C39	C40	N04	C41	179.4°	90.0°
C39	C40	N04	IR50	0.0°	90.0°
C40	C39	N03	C48	179.2°	90.0°
C40	C39	N03	IR50	0.4°	90.0°
C39	C40	C44	H24	0.2°	90.0°
C40	C39	C45	H25	0.2°	90.0°
N04	C40	C39	N03	0.2°	90.0°
C40	N04	C41	C42	0.7°	90.0°
C40	N04	C41	IR50	179.4°	90.0°
C40	N04	IR50	N03	0.2°	90.0°
C40	N04	IR50	N02	71.1°	90.0°
C40	N04	IR50	C15	173.3°	90.0°
C40	N04	IR50	N01	110.4°	90.0°
C40	N04	IR50	C22	50.7°	90.0°
C40	N04	C41	H21	179.3°	90.0°
N04	C40	C44	H24	179.9°	90.0°
C39	N03	C48	C47	1.4°	90.0°
C39	N03	IR50	N04	0.3°	90.0°
C39	N03	C48	IR50	178.8°	90.0°
C39	N03	IR50	N02	110.6°	90.0°
C39	N03	IR50	C15	24.2°	90.0°
C39	N03	IR50	N01	72.3°	90.0°
C39	N03	IR50	C22	170.2°	90.0°
N03	C39	C45	H25	179.8°	90.0°
C39	N03	C48	H27	178.6°	90.0°
C42	C41	N04	H21	180.0°	90.0°
C42	C41	N04	IR50	180.0°	90.0°
C41	C42	C43	H23	179.8°	90.0°
C30	N02	IR50	N04	10.5°	90.0°
C30	N02	IR50	N03	81.5°	90.0°
C30	N02	C26	IR50	180.0°	90.0°
C30	N02	C26	C27	0.2°	90.0°
C30	N02	C26	C25	180.0°	90.0°
C30	N02	IR50	C15	81.1°	90.0°
C30	N02	IR50	N01	146.8°	90.0°
C30	N02	IR50	C22	180.0°	90.0°
N02	C30	C31	H13	0.1°	90.0°
C47	C49	N53	H28	120.3°	90.0°
C47	C49	N53	H29	120.3°	90.0°
C47	C49	N53	C54	74.9°	90.0°
C49	C47	C48	N03	179.6°	90.0°
C49	C47	C46	H26	0.8°	90.0°
C49	C47	C48	H27	0.4°	90.0°
C47	C49	H28	H29	119.2°	90.0°
C47	C49	N53	H38	105.1°	90.0°
C48	C47	C49	N53	127.7°	90.0°
C47	C48	N03	H27	180.0°	90.0°
C47	C48	N03	IR50	179.7°	90.0°
C48	C47	C46	H26	178.9°	90.0°
C48	C47	C49	H28	7.4°	90.0°
C48	C47	C49	H29	112.0°	90.0°
C28	C27	C26	N02	0.2°	90.0°
C28	C27	C26	H11	180.0°	90.0°
C28	C27	C26	C25	180.0°	90.0°
C49	N53	C54	H38	180.0°	90.0°
C49	N53	C54	C55	177.8°	90.0°
C49	N53	C54	O57	0.8°	90.0°
N53	C49	H28	H29	119.1°	90.0°
N53	C54	C55	C56	72.3°	90.0°
N53	C54	C55	O57	178.7°	90.0°
C54	N53	C49	H28	45.4°	90.0°
C54	N53	C49	H29	164.8°	90.0°
N53	C54	C55	H30	48.4°	90.0°
N53	C54	C55	H31	167.0°	90.0°
C58	C56	C55	H32	121.8°	90.0°
C58	C56	C55	H33	121.8°	90.0°
C58	C56	C55	C54	163.7°	90.0°
C56	C58	C63	C62	180.0°	90.0°
C58	C56	C55	H30	75.6°	90.0°
C58	C56	C55	H31	43.0°	90.0°
C58	C56	H32	H33	114.1°	90.0°
C56	C58	C59	H34	0.0°	90.0°
C56	C58	C63	H37	0.0°	90.0°
C55	C56	C58	C63	38.9°	90.0°
C56	C55	C54	H30	120.7°	90.0°
C56	C55	C54	H31	120.7°	90.0°
C56	C55	C54	O57	106.4°	90.0°
C56	C55	H30	H31	117.8°	90.0°
C55	C56	H32	H33	114.1°	90.0°
C58	C63	C62	N61	0.2°	90.0°
C58	C63	C62	H37	180.0°	90.0°
C63	C58	C56	H32	82.9°	90.0°
C63	C58	C56	H33	160.7°	90.0°
C63	C58	C59	H34	179.6°	90.0°
C58	C63	C62	H36	179.8°	90.0°
N61	C62	C63	H36	180.0°	90.0°
C62	N61	C60	H35	179.8°	90.0°
N61	C62	C63	H37	179.8°	90.0°
C41	N04	IR50	N03	179.2°	90.0°
C41	N04	IR50	N02	108.3°	90.0°
C41	N04	IR50	C15	6.0°	90.0°
C41	N04	IR50	N01	70.3°	90.0°
C41	N04	IR50	C22	129.9°	90.0°
N04	C41	C42	H22	179.3°	90.0°
N04	IR50	N03	C48	179.1°	90.0°
N04	IR50	N03	N02	110.3°	90.0°
N04	IR50	N03	C15	23.9°	90.0°
N04	IR50	N03	N01	72.6°	90.0°
N04	IR50	N03	C22	170.5°	90.0°
N04	IR50	N02	C26	169.5°	90.0°
N04	IR50	N02	C15	91.6°	90.0°
N04	IR50	N02	N01	157.3°	90.0°
N04	IR50	N02	C22	169.5°	90.0°
N04	IR50	C15	N01	77.9°	90.0°
N04	IR50	C15	C22	171.4°	90.0°
N04	IR50	N01	C22	169.4°	90.0°
N04	IR50	C15	C16	102.0°	90.0°
N04	IR50	C15	C14	77.8°	90.0°
N04	IR50	C22	C25	124.0°	90.0°
N04	IR50	N01	C09	88.8°	90.0°
N04	IR50	N01	C05	90.9°	90.0°
N04	IR50	C22	C23	55.9°	90.0°
IR50	N04	C41	H21	0.0°	90.0°
C48	N03	IR50	N02	70.6°	90.0°
C48	N03	IR50	C15	157.0°	90.0°
C48	N03	IR50	N01	106.5°	90.0°
C48	N03	IR50	C22	8.6°	90.0°
N03	IR50	N02	C26	98.5°	90.0°
N03	IR50	N02	C15	162.6°	90.0°
N03	IR50	N02	N01	131.7°	90.0°
N03	IR50	N02	C22	98.5°	90.0°
N03	IR50	C15	N01	101.1°	90.0°
N03	IR50	C15	C22	165.4°	90.0°
N03	IR50	N01	C22	98.0°	90.0°
N03	IR50	C15	C16	78.9°	90.0°
N03	IR50	C15	C14	101.0°	90.0°
N03	IR50	C22	C25	74.8°	90.0°
N03	IR50	N01	C09	17.4°	90.0°
N03	IR50	N01	C05	162.4°	90.0°
N03	IR50	C22	C23	105.1°	90.0°
IR50	N03	C48	H27	0.2°	90.0°
N02	C26	C27	C25	179.8°	90.0°
C26	N02	IR50	C15	98.9°	90.0°
C26	N02	IR50	N01	33.2°	90.0°
C26	N02	IR50	C22	0.0°	90.0°
N02	C26	C25	C22	0.1°	90.0°
N02	C26	C25	S52	179.9°	90.0°
N02	C26	C27	H11	179.8°	90.0°
IR50	N02	C26	C27	179.8°	90.0°
IR50	N02	C26	C25	0.0°	90.0°
N02	IR50	C15	N01	176.5°	90.0°
N02	IR50	C15	C22	83.0°	90.0°
N02	IR50	N01	C22	32.9°	90.0°
N02	IR50	C15	C16	3.5°	90.0°
N02	IR50	C15	C14	176.6°	90.0°
N02	IR50	C22	C25	0.0°	90.0°
N02	IR50	N01	C09	113.6°	90.0°
N02	IR50	N01	C05	66.7°	90.0°
N02	IR50	C22	C23	180.0°	90.0°
C54	C55	H30	H31	117.9°	90.0°
C54	C55	C56	H32	41.9°	90.0°
C54	C55	C56	H33	74.5°	90.0°
C55	C54	N53	H38	2.2°	90.0°
O57	C54	C55	H30	132.9°	90.0°
O57	C54	C55	H31	14.3°	90.0°
O57	C54	N53	H38	179.2°	90.0°
C27	C26	C25	C22	179.9°	90.0°
C27	C26	C25	S52	0.1°	90.0°
C26	C27	C28	H12	179.9°	90.0°
C26	C25	C22	IR50	0.1°	90.0°
C26	C25	C22	S52	180.0°	90.0°
C26	C25	C22	C23	180.0°	90.0°
C26	C25	S52	C24	180.0°	90.0°
C25	C26	C27	H11	0.0°	90.0°
C21	C20	C19	H9	180.0°	90.0°
C20	C21	C16	H10	180.0°	90.0°
C21	C20	C19	C18	0.1°	90.0°
C20	C21	C16	C15	179.9°	90.0°
C20	C21	C16	C17	0.1°	90.0°
C21	C20	C19	H8	180.0°	90.0°
C19	C20	C21	C16	0.1°	90.0°
C20	C19	C18	H8	180.0°	90.0°
C20	C19	C18	C17	0.0°	90.0°
C20	C19	C18	H7	180.0°	90.0°
C19	C20	C21	H10	179.9°	90.0°
C21	C16	C15	IR50	0.3°	90.0°
C21	C16	C15	C17	180.0°	90.0°
C21	C16	C15	C14	179.8°	90.0°
C21	C16	C17	C18	0.0°	90.0°
C21	C16	C17	S51	180.0°	90.0°
C16	C21	C20	H9	179.9°	90.0°
C15	IR50	N01	C22	99.4°	90.0°
IR50	C15	C16	C14	179.9°	90.0°
IR50	C15	C16	C17	179.7°	90.0°
C15	IR50	C22	C25	101.0°	90.0°
C15	IR50	N01	C09	179.9°	90.0°
C15	IR50	N01	C05	0.2°	90.0°
C15	IR50	C22	C23	79.1°	90.0°
IR50	C15	C14	C05	0.0°	90.0°
IR50	C15	C14	S51	179.6°	90.0°
IR50	N01	C09	C10	0.5°	90.0°
N01	IR50	C15	C16	180.0°	90.0°
N01	IR50	C15	C14	0.1°	90.0°
N01	IR50	C22	C25	178.0°	90.0°
IR50	N01	C09	C05	179.7°	90.0°
IR50	N01	C09	C08	179.8°	90.0°
N01	IR50	C22	C23	2.1°	90.0°
IR50	N01	C05	C14	0.2°	90.0°
IR50	N01	C05	C06	179.6°	90.0°
C22	IR50	C15	C16	86.5°	90.0°
C22	IR50	C15	C14	93.6°	90.0°
IR50	C22	C25	C23	180.0°	90.0°
IR50	C22	C25	S52	179.9°	90.0°
C22	IR50	N01	C09	80.6°	90.0°
C22	IR50	N01	C05	99.6°	90.0°
IR50	C22	C23	C24	179.9°	90.0°
IR50	C22	C23	C38	0.2°	90.0°
C11	C10	C09	H3	180.0°	90.0°
C10	C11	C12	H4	180.0°	90.0°
C11	C10	C09	N01	179.9°	90.0°
C11	C10	C09	C08	0.4°	90.0°
C10	C11	C12	C13	0.1°	90.0°
C10	C11	C12	H5	179.9°	90.0°
C09	C10	C11	C12	0.3°	90.0°
C10	C09	N01	C08	179.7°	90.0°
C10	C09	N01	C05	179.7°	90.0°
C10	C09	C08	C13	0.3°	90.0°
C10	C09	C08	C07	179.9°	90.0°
C09	C10	C11	H4	179.7°	90.0°
C11	C12	C13	H5	180.0°	90.0°
C11	C12	C13	C08	0.0°	90.0°
C12	C11	C10	H3	179.7°	90.0°
C11	C12	C13	H6	180.0°	90.0°
C19	C18	C17	C16	0.1°	90.0°
C19	C18	C17	H7	180.0°	90.0°
C19	C18	C17	S51	180.0°	90.0°
C18	C19	C20	H9	179.9°	90.0°
C15	C16	C17	C18	180.0°	90.0°
C15	C16	C17	S51	0.0°	90.0°
C16	C15	C14	C05	179.9°	90.0°
C16	C15	C14	S51	0.3°	90.0°
C15	C16	C21	H10	0.1°	90.0°
C17	C16	C15	C14	0.2°	90.0°
C16	C17	C18	S51	180.0°	90.0°
C16	C17	S51	C14	0.1°	90.0°
C16	C17	C18	H7	180.0°	90.0°
C17	C16	C21	H10	179.9°	90.0°
C15	C14	C05	N01	0.1°	90.0°
C15	C14	S51	C17	0.2°	90.0°
C15	C14	C05	S51	179.5°	90.0°
C15	C14	C05	C06	179.7°	90.0°
C22	C25	S52	C24	0.0°	90.0°
C25	C22	C23	C24	0.1°	90.0°
C25	C22	C23	C38	179.9°	90.0°
S52	C25	C22	C23	0.0°	90.0°
C25	S52	C24	C23	0.0°	90.0°
C25	S52	C24	C35	180.0°	90.0°
C09	N01	C05	C14	180.0°	90.0°
C09	N01	C05	C06	0.1°	90.0°
N01	C09	C08	C13	180.0°	90.0°
N01	C09	C08	C07	0.2°	90.0°
N01	C09	C10	H3	0.1°	90.0°
C05	N01	C09	C08	0.0°	90.0°
N01	C05	C14	C06	179.9°	90.0°
N01	C05	C14	S51	179.7°	90.0°
N01	C05	C06	C07	0.1°	90.0°
N01	C05	C06	H1	179.9°	90.0°
C09	C08	C13	C12	0.1°	90.0°
C09	C08	C13	C07	179.9°	90.0°
C09	C08	C07	C06	0.2°	90.0°
C09	C08	C07	H2	179.9°	90.0°
C08	C09	C10	H3	179.6°	90.0°
C09	C08	C13	H6	179.9°	90.0°
C12	C13	C08	H6	180.0°	90.0°
C12	C13	C08	C07	180.0°	90.0°
C13	C12	C11	H4	179.9°	90.0°
C22	C23	C24	S52	0.1°	90.0°
C22	C23	C24	C38	180.0°	90.0°
C22	C23	C24	C35	180.0°	90.0°
C22	C23	C38	C37	179.9°	90.0°
C22	C23	C38	H20	0.1°	90.0°
C18	C17	S51	C14	179.9°	90.0°
C17	C18	C19	H8	179.9°	90.0°
C17	S51	C14	C05	179.7°	90.0°
S51	C17	C18	H7	0.0°	90.0°
C14	C05	C06	C07	180.0°	90.0°
C14	C05	C06	H1	0.0°	90.0°
S51	C14	C05	C06	0.2°	90.0°
C05	C06	C07	C08	0.0°	90.0°
C05	C06	C07	H1	180.0°	90.0°
C05	C06	C07	H2	180.0°	90.0°
C13	C08	C07	C06	180.0°	90.0°
C13	C08	C07	H2	0.0°	90.0°
C08	C13	C12	H5	180.0°	90.0°
C08	C07	C06	H2	180.0°	90.0°
C08	C07	C06	H1	180.0°	90.0°
C07	C08	C13	H6	0.0°	90.0°
S52	C24	C23	C35	179.9°	90.0°
S52	C24	C23	C38	179.9°	90.0°
S52	C24	C35	C36	179.9°	90.0°
S52	C24	C35	H17	0.1°	90.0°
C24	C23	C38	C37	0.1°	90.0°
C23	C24	C35	C36	0.0°	90.0°
C23	C24	C35	H17	180.0°	90.0°
C24	C23	C38	H20	179.9°	90.0°
C38	C23	C24	C35	0.1°	90.0°
C23	C38	C37	H20	180.0°	90.0°
C23	C38	C37	C36	0.1°	90.0°
C23	C38	C37	H19	179.9°	90.0°
C24	C35	C36	H17	180.0°	90.0°
C24	C35	C36	C37	0.0°	90.0°
C24	C35	C36	H18	179.9°	90.0°
C38	C37	C36	C35	0.1°	90.0°
C38	C37	C36	H19	180.0°	90.0°
C38	C37	C36	H18	179.9°	90.0°
C35	C36	C37	H18	180.0°	90.0°
C35	C36	C37	H19	179.9°	90.0°
C37	C36	C35	H17	180.0°	90.0°
C36	C37	C38	H20	179.9°	90.0°
H1	C06	C07	H2	0.0°	90.0°
H3	C10	C11	H4	0.3°	90.0°
H4	C11	C12	H5	0.1°	90.0°
H5	C12	C13	H6	0.0°	90.0°
H7	C18	C19	H8	0.0°	90.0°
H8	C19	C20	H9	0.0°	90.0°
H9	C20	C21	H10	0.1°	90.0°
H11	C27	C28	H12	0.1°	90.0°
H13	C31	C32	H14	0.4°	90.0°
H14	C32	C33	H15	0.2°	90.0°
H15	C33	C34	H16	0.0°	90.0°
H17	C35	C36	H18	0.1°	90.0°
H18	C36	C37	H19	0.1°	90.0°
H19	C37	C38	H20	0.1°	90.0°
H21	C41	C42	H22	0.6°	90.0°
H22	C42	C43	H23	0.3°	90.0°
H23	C43	C44	H24	0.1°	90.0°
H25	C45	C46	H26	0.4°	90.0°
H28	C49	N53	H38	134.6°	90.0°
H29	C49	N53	H38	15.2°	90.0°
H30	C55	C56	H32	162.6°	90.0°
H30	C55	C56	H33	46.2°	90.0°
H31	C55	C56	H32	78.8°	90.0°
H31	C55	C56	H33	164.8°	90.0°
H34	C59	C60	H35	0.3°	90.0°
H36	C62	C63	H37	0.2°	90.0°

Release date:	2023-02-01
Definition date:	2022-10-26
Last modified:	2023-01-27
Release status:	REL
Processing site:	RCSB
Derived from:	8EWS