X8S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C35	C37	doub	0.00Å	1.40Å	Aromatic
C35	C38	sing	0.00Å	1.40Å	Aromatic
C37	C36	sing	0.00Å	1.40Å	Aromatic
C50	C48	sing	0.00Å	1.55Å
C38	N06	doub	0.00Å	1.35Å	Aromatic
C46	C48	doub	0.00Å	1.40Å	Aromatic
C46	C49	sing	0.00Å	1.39Å	Aromatic
C48	N08	sing	0.00Å	1.41Å	Aromatic
C36	C29	doub	0.00Å	1.40Å	Aromatic
C02	C01	doub	0.00Å	1.41Å	Aromatic
C02	C03	sing	0.00Å	1.41Å	Aromatic
C49	C47	doub	0.00Å	1.39Å	Aromatic
N06	C29	sing	0.00Å	1.36Å	Aromatic
N06	RU01	sing	0.00Å	1.97Å
C01	N01	sing	0.00Å	1.39Å	Aromatic
C03	C04	doub	0.00Å	1.40Å	Aromatic
N08	C44	doub	0.00Å	1.35Å	Aromatic
N08	RU01	sing	0.00Å	2.23Å
C29	C27	sing	0.00Å	1.01Å
N01	C23	doub	0.00Å	1.41Å	Aromatic
N01	RU01	sing	0.00Å	2.20Å
C04	C23	sing	0.00Å	1.40Å	Aromatic
C04	C05	sing	0.00Å	1.55Å
C47	C44	sing	0.00Å	1.39Å	Aromatic
C44	C40	sing	0.00Å	1.52Å
C20	C19	sing	0.00Å	1.52Å
RU01	N04	sing	0.00Å	2.03Å
RU01	N07	sing	0.00Å	2.11Å
RU01	N05	sing	0.00Å	2.04Å
C05	N02	sing	0.00Å	1.47Å
C27	C26	doub	0.00Å	1.40Å	Aromatic
C27	N04	sing	0.00Å	1.36Å	Aromatic
C22	C19	sing	0.00Å	1.51Å
C26	C24	sing	0.00Å	1.39Å	Aromatic
O01	C06	doub	0.00Å	1.21Å
N04	C28	doub	0.00Å	1.36Å	Aromatic
C40	N07	doub	0.00Å	1.35Å	Aromatic
C40	C43	sing	0.00Å	1.40Å	Aromatic
C19	C21	sing	0.00Å	1.52Å
C19	O03	sing	0.00Å	1.43Å
N07	C41	sing	0.00Å	1.38Å	Aromatic
N02	C06	sing	0.00Å	1.48Å
C43	C39	doub	0.00Å	1.40Å	Aromatic
C06	C07	sing	0.00Å	1.55Å
N05	C33	doub	0.00Å	1.37Å	Aromatic
N05	C30	sing	0.00Å	1.36Å	Aromatic
C24	C25	doub	0.00Å	1.39Å	Aromatic
C28	C30	sing	0.00Å	1.16Å
C28	C25	sing	0.00Å	1.40Å	Aromatic
C41	C45	sing	0.00Å	1.54Å
C41	C42	doub	0.00Å	1.40Å	Aromatic
O03	C18	sing	0.00Å	1.43Å
C33	C31	sing	0.00Å	1.40Å	Aromatic
C30	C32	doub	0.00Å	1.40Å	Aromatic
C39	C42	sing	0.00Å	1.49Å	Aromatic
C07	C08	sing	0.00Å	1.55Å
C08	S01	sing	0.00Å	1.81Å
C18	N03	sing	0.00Å	1.47Å
C18	O02	doub	0.00Å	1.20Å
S01	C09	sing	0.00Å	1.81Å
C31	C34	doub	0.00Å	1.40Å	Aromatic
C32	C34	sing	0.00Å	1.40Å	Aromatic
N03	C10	sing	0.00Å	1.47Å
C10	C09	sing	0.00Å	1.54Å
C10	C11	sing	0.00Å	1.55Å
C17	C16	doub	0.00Å	1.40Å	Aromatic
C17	C12	sing	0.00Å	1.40Å	Aromatic
C16	C15	sing	0.00Å	1.40Å	Aromatic
C11	C12	sing	0.00Å	1.55Å
C12	C13	doub	0.00Å	1.40Å	Aromatic
C15	C14	doub	0.00Å	1.40Å	Aromatic
C13	C14	sing	0.00Å	1.40Å	Aromatic
C10	H1	sing	0.00Å	1.10Å
C11	H2	sing	0.00Å	1.10Å
C11	H3	sing	0.00Å	1.10Å
C13	H4	sing	0.00Å	1.08Å
C14	H5	sing	0.00Å	1.08Å
C15	H6	sing	0.00Å	1.08Å
C16	H7	sing	0.00Å	1.08Å
C17	H8	sing	0.00Å	1.08Å
C20	H9	sing	0.00Å	1.10Å
C20	H10	sing	0.00Å	1.10Å
C20	H11	sing	0.00Å	1.10Å
C21	H12	sing	0.00Å	1.10Å
C21	H13	sing	0.00Å	1.10Å
C21	H14	sing	0.00Å	1.10Å
C22	H15	sing	0.00Å	1.10Å
C22	H16	sing	0.00Å	1.10Å
C22	H17	sing	0.00Å	1.10Å
C23	H18	sing	0.00Å	1.08Å
C24	H19	sing	0.00Å	1.08Å
C25	H20	sing	0.00Å	1.08Å
C26	H21	sing	0.00Å	1.08Å
C01	H22	sing	0.00Å	1.08Å
C02	H23	sing	0.00Å	1.08Å
C03	H24	sing	0.00Å	1.08Å
C05	H25	sing	0.00Å	1.10Å
C05	H26	sing	0.00Å	1.10Å
C07	H27	sing	0.00Å	1.10Å
C07	H28	sing	0.00Å	1.10Å
C08	H29	sing	0.00Å	1.10Å
C08	H30	sing	0.00Å	1.10Å
C09	H31	sing	0.00Å	1.10Å
C09	H32	sing	0.00Å	1.10Å
C31	H33	sing	0.00Å	1.08Å
C32	H34	sing	0.00Å	1.08Å
C33	H35	sing	0.00Å	1.08Å
C34	H36	sing	0.00Å	1.08Å
C35	H37	sing	0.00Å	1.08Å
C36	H38	sing	0.00Å	1.08Å
C37	H39	sing	0.00Å	1.08Å
C38	H40	sing	0.00Å	1.08Å
C39	H41	sing	0.00Å	1.08Å
C42	H42	sing	0.00Å	1.08Å
C43	H43	sing	0.00Å	1.08Å
C45	H44	sing	0.00Å	1.10Å
C45	H45	sing	0.00Å	1.10Å
C45	H46	sing	0.00Å	1.10Å
C46	H47	sing	0.00Å	1.08Å
C47	H48	sing	0.00Å	1.08Å
C49	H49	sing	0.00Å	1.08Å
C50	H50	sing	0.00Å	1.10Å
C50	H51	sing	0.00Å	1.10Å
C50	H52	sing	0.00Å	1.10Å
N02	H53	sing	0.00Å	1.00Å
N03	H54	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C37	C35	C38	118.2°	90.0°
C35	C37	C36	119.5°	90.0°
C37	C35	H37	120.9°	90.0°
C35	C37	H39	120.2°	90.0°
C35	C38	N06	122.7°	90.0°
C38	C35	H37	120.9°	90.0°
C35	C38	H40	118.7°	90.0°
C37	C36	C29	119.1°	90.0°
C37	C36	H38	120.5°	90.0°
C36	C37	H39	120.2°	90.0°
C50	C48	C46	108.9°	90.0°
C50	C48	N08	130.1°	90.0°
C48	C50	H50	109.5°	90.0°
C48	C50	H51	109.5°	90.0°
C48	C50	H52	109.5°	90.0°
C38	N06	C29	118.9°	90.0°
C38	N06	RU01	110.8°	90.0°
N06	C38	H40	118.6°	90.0°
C48	C46	C49	121.5°	90.0°
C46	C48	N08	121.0°	90.0°
C48	C46	H47	119.3°	90.0°
C46	C49	C47	117.4°	90.0°
C49	C46	H47	119.3°	90.0°
C46	C49	H49	121.3°	90.0°
C48	N08	C44	116.1°	90.0°
C48	N08	RU01	141.3°	90.0°
C36	C29	N06	121.6°	90.0°
C36	C29	C27	130.6°	90.0°
C29	C36	H38	120.5°	90.0°
C01	C02	C03	121.0°	90.0°
C02	C01	N01	119.0°	90.0°
C02	C01	H22	120.5°	90.0°
C01	C02	H23	119.5°	90.0°
C02	C03	C04	120.0°	90.0°
C03	C02	H23	119.5°	90.0°
C02	C03	H24	120.0°	90.0°
C49	C47	C44	120.0°	90.0°
C49	C47	H48	120.0°	90.0°
C47	C49	H49	121.3°	90.0°
C29	N06	RU01	130.3°	90.0°
N06	C29	C27	107.8°	90.0°
N06	RU01	N08	126.5°	90.0°
N06	RU01	N01	97.1°	90.0°
N06	RU01	N04	62.0°	90.0°
N06	RU01	N07	114.5°	90.0°
N06	RU01	N05	135.8°	90.0°
C01	N01	C23	120.0°	90.0°
C01	N01	RU01	121.4°	90.0°
N01	C01	H22	120.5°	90.0°
C03	C04	C23	118.7°	90.0°
C03	C04	C05	119.6°	90.0°
C04	C03	H24	120.0°	90.0°
C44	N08	RU01	102.6°	90.0°
N08	C44	C47	124.1°	90.0°
N08	C44	C40	122.7°	90.0°
N08	RU01	N01	82.9°	90.0°
N08	RU01	N04	165.6°	90.0°
N08	RU01	N07	86.1°	90.0°
N08	RU01	N05	96.8°	90.0°
C29	C27	C26	119.9°	90.0°
C29	C27	N04	117.5°	90.0°
C23	N01	RU01	118.6°	90.0°
N01	C23	C04	121.2°	90.0°
N01	C23	H18	119.4°	90.0°
N01	RU01	N04	84.5°	90.0°
N01	RU01	N07	146.7°	90.0°
N01	RU01	N05	78.1°	90.0°
C23	C04	C05	121.6°	90.0°
C04	C23	H18	119.4°	90.0°
C04	C05	N02	111.1°	90.0°
C04	C05	H25	109.1°	90.0°
C04	C05	H26	109.1°	90.0°
C47	C44	C40	113.3°	90.0°
C44	C47	H48	120.0°	90.0°
C44	C40	N07	121.9°	90.0°
C44	C40	C43	113.8°	90.0°
C20	C19	C22	108.3°	90.0°
C20	C19	C21	109.4°	90.0°
C20	C19	O03	109.1°	90.0°
C19	C20	H9	109.5°	90.0°
C19	C20	H10	109.4°	90.0°
C19	C20	H11	109.5°	90.0°
N04	RU01	N07	100.9°	90.0°
N04	RU01	N05	73.8°	90.0°
RU01	N04	C27	122.5°	90.0°
RU01	N04	C28	119.6°	90.0°
N07	RU01	N05	72.2°	90.0°
RU01	N07	C40	106.7°	90.0°
RU01	N07	C41	134.1°	90.0°
RU01	N05	C33	130.4°	90.0°
RU01	N05	C30	110.3°	90.0°
C05	N02	C06	120.8°	90.0°
N02	C05	H25	109.1°	90.0°
N02	C05	H26	109.1°	90.0°
C05	N02	H53	119.6°	90.0°
C26	C27	N04	122.6°	90.0°
C27	C26	C24	119.3°	90.0°
C27	C26	H21	120.3°	90.0°
C27	N04	C28	117.9°	90.0°
C22	C19	C21	110.2°	90.0°
C22	C19	O03	108.0°	90.0°
C19	C22	H15	109.5°	90.0°
C19	C22	H16	109.5°	90.0°
C19	C22	H17	109.5°	90.0°
C26	C24	C25	118.5°	90.0°
C26	C24	H19	120.7°	90.0°
C24	C26	H21	120.4°	90.0°
O01	C06	N02	120.8°	90.0°
O01	C06	C07	119.9°	90.0°
N04	C28	C30	109.0°	90.0°
N04	C28	C25	122.0°	90.0°
N07	C40	C43	124.2°	90.0°
C40	N07	C41	119.1°	90.0°
C40	C43	C39	120.2°	90.0°
C40	C43	H43	119.9°	90.0°
C21	C19	O03	111.8°	90.0°
C19	C21	H12	109.5°	90.0°
C19	C21	H13	109.5°	90.0°
C19	C21	H14	109.4°	90.0°
C19	O03	C18	114.6°	90.0°
N07	C41	C45	122.9°	90.0°
N07	C41	C42	120.1°	90.0°
N02	C06	C07	119.3°	90.0°
C06	N02	H53	119.6°	90.0°
C43	C39	C42	115.0°	90.0°
C43	C39	H41	122.5°	90.0°
C39	C43	H43	119.9°	90.0°
C06	C07	C08	116.5°	90.0°
C06	C07	H27	107.7°	90.0°
C06	C07	H28	107.7°	90.0°
C33	N05	C30	119.3°	90.0°
N05	C33	C31	121.7°	90.0°
N05	C33	H35	119.2°	90.0°
N05	C30	C28	127.4°	90.0°
N05	C30	C32	121.0°	90.0°
C24	C25	C28	119.7°	90.0°
C25	C24	H19	120.8°	90.0°
C24	C25	H20	120.2°	90.0°
C30	C28	C25	129.0°	90.0°
C28	C30	C32	111.7°	90.0°
C28	C25	H20	120.2°	90.0°
C45	C41	C42	117.0°	90.0°
C41	C45	H44	109.5°	90.0°
C41	C45	H45	109.5°	90.0°
C41	C45	H46	109.5°	90.0°
C41	C42	C39	121.3°	90.0°
C41	C42	H42	119.4°	90.0°
O03	C18	N03	121.0°	90.0°
O03	C18	O02	119.1°	90.0°
C33	C31	C34	119.4°	90.0°
C33	C31	H33	120.3°	90.0°
C31	C33	H35	119.2°	90.0°
C30	C32	C34	120.1°	90.0°
C30	C32	H34	119.9°	90.0°
C42	C39	H41	122.5°	90.0°
C39	C42	H42	119.4°	90.0°
C07	C08	S01	105.4°	90.0°
C08	C07	H27	107.7°	90.0°
C08	C07	H28	107.7°	90.0°
C07	C08	H29	110.5°	90.0°
C07	C08	H30	110.5°	90.0°
C08	S01	C09	108.0°	90.0°
S01	C08	H29	110.5°	90.0°
S01	C08	H30	110.5°	90.0°
N03	C18	O02	119.9°	90.0°
C18	N03	C10	120.7°	90.0°
C18	N03	H54	119.6°	90.0°
S01	C09	C10	111.2°	90.0°
S01	C09	H31	109.0°	90.0°
S01	C09	H32	109.0°	90.0°
C31	C34	C32	118.5°	90.0°
C34	C31	H33	120.3°	90.0°
C31	C34	H36	120.7°	90.0°
C34	C32	H34	119.9°	90.0°
C32	C34	H36	120.7°	90.0°
N03	C10	C09	107.8°	90.0°
N03	C10	C11	111.6°	90.0°
N03	C10	H1	109.3°	90.0°
C10	N03	H54	119.6°	90.0°
C09	C10	C11	111.3°	90.0°
C09	C10	H1	108.4°	90.0°
C10	C09	H31	109.0°	90.0°
C10	C09	H32	109.1°	90.0°
C10	C11	C12	116.5°	90.0°
C11	C10	H1	108.3°	90.0°
C10	C11	H2	107.7°	90.0°
C10	C11	H3	107.7°	90.0°
C16	C17	C12	120.1°	90.0°
C17	C16	C15	120.0°	90.0°
C17	C16	H7	120.0°	90.0°
C16	C17	H8	119.9°	90.0°
C17	C12	C11	120.1°	90.0°
C17	C12	C13	119.5°	90.0°
C12	C17	H8	119.9°	90.0°
C16	C15	C14	120.1°	90.0°
C16	C15	H6	119.9°	90.0°
C15	C16	H7	120.0°	90.0°
C11	C12	C13	120.3°	90.0°
C12	C11	H2	107.7°	90.0°
C12	C11	H3	107.7°	90.0°
C12	C13	C14	120.5°	90.0°
C12	C13	H4	119.7°	90.0°
C15	C14	C13	119.7°	90.0°
C15	C14	H5	120.1°	90.0°
C14	C15	H6	119.9°	90.0°
C14	C13	H4	119.7°	90.0°
C13	C14	H5	120.2°	90.0°
H2	C11	H3	109.5°	90.0°
H9	C20	H10	109.5°	90.0°
H9	C20	H11	109.4°	90.0°
H10	C20	H11	109.5°	90.0°
H12	C21	H13	109.5°	90.0°
H12	C21	H14	109.4°	90.0°
H13	C21	H14	109.5°	90.0°
H15	C22	H16	109.5°	90.0°
H15	C22	H17	109.5°	90.0°
H16	C22	H17	109.5°	90.0°
H25	C05	H26	109.5°	90.0°
H27	C07	H28	109.4°	90.0°
H29	C08	H30	109.5°	90.0°
H31	C09	H32	109.5°	90.0°
H44	C45	H45	109.5°	90.0°
H44	C45	H46	109.5°	90.0°
H45	C45	H46	109.4°	90.0°
H50	C50	H51	109.5°	90.0°
H50	C50	H52	109.5°	90.0°
H51	C50	H52	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C37	C35	C38	H37	180.0°	90.0°
C35	C37	C36	H39	180.0°	90.0°
C37	C35	C38	N06	0.1°	90.0°
C35	C37	C36	C29	0.0°	90.0°
C35	C37	C36	H38	180.0°	90.0°
C37	C35	C38	H40	179.9°	90.0°
C38	C35	C37	C36	0.1°	90.0°
C35	C38	N06	H40	180.0°	90.0°
C35	C38	N06	C29	0.0°	90.0°
C35	C38	N06	RU01	179.8°	90.0°
C38	C35	C37	H39	179.8°	90.0°
C37	C36	C29	H38	180.0°	90.0°
C37	C36	C29	N06	0.2°	90.0°
C37	C36	C29	C27	179.8°	90.0°
C36	C37	C35	H37	179.9°	90.0°
C50	C48	C46	N08	180.0°	90.0°
C50	C48	C46	C49	179.8°	90.0°
C50	C48	N08	C44	179.6°	90.0°
C50	C48	N08	RU01	1.0°	90.0°
C50	C48	C46	H47	0.2°	90.0°
C48	C50	H50	H51	120.0°	90.0°
C48	C50	H50	H52	120.0°	90.0°
C48	C50	H51	H52	120.0°	90.0°
C38	N06	C29	C36	0.2°	90.0°
C38	N06	C29	RU01	179.7°	90.0°
C38	N06	RU01	N08	13.6°	90.0°
C38	N06	C29	C27	179.9°	90.0°
C38	N06	RU01	N01	100.0°	90.0°
C38	N06	RU01	N04	179.9°	90.0°
C38	N06	RU01	N07	90.5°	90.0°
C38	N06	RU01	N05	179.7°	90.0°
N06	C38	C35	H37	179.9°	90.0°
C48	C46	C49	H47	180.0°	90.0°
C48	C46	C49	C47	0.1°	90.0°
C46	C48	N08	C44	0.4°	90.0°
C46	C48	N08	RU01	179.0°	90.0°
C48	C46	C49	H49	179.9°	90.0°
C46	C48	C50	H50	180.0°	90.0°
C46	C48	C50	H51	60.0°	90.0°
C46	C48	C50	H52	60.0°	90.0°
C49	C46	C48	N08	0.2°	90.0°
C46	C49	C47	H49	180.0°	90.0°
C46	C49	C47	C44	0.2°	90.0°
C46	C49	C47	H48	179.8°	90.0°
C48	N08	RU01	N06	62.1°	90.0°
C48	N08	C44	RU01	179.6°	90.0°
C48	N08	RU01	N01	31.5°	90.0°
C48	N08	C44	C47	0.2°	90.0°
C48	N08	C44	C40	179.7°	90.0°
C48	N08	RU01	N04	60.3°	90.0°
C48	N08	RU01	N07	179.9°	90.0°
C48	N08	RU01	N05	108.6°	90.0°
N08	C48	C46	H47	179.8°	90.0°
N08	C48	C50	H50	0.0°	90.0°
N08	C48	C50	H51	120.0°	90.0°
N08	C48	C50	H52	120.0°	90.0°
C36	C29	N06	C27	179.7°	90.0°
C36	C29	N06	RU01	179.9°	90.0°
C36	C29	C27	C26	0.3°	90.0°
C36	C29	C27	N04	179.9°	90.0°
C29	C36	C37	H39	180.0°	90.0°
C01	C02	C03	H23	180.0°	90.0°
C02	C01	N01	H22	180.0°	90.0°
C01	C02	C03	C04	0.2°	90.0°
C02	C01	N01	C23	0.8°	90.0°
C02	C01	N01	RU01	180.0°	90.0°
C01	C02	C03	H24	179.8°	90.0°
C03	C02	C01	N01	0.3°	90.0°
C02	C03	C04	H24	180.0°	90.0°
C02	C03	C04	C23	1.1°	90.0°
C02	C03	C04	C05	179.8°	90.0°
C03	C02	C01	H22	179.7°	90.0°
C49	C47	C44	N08	0.1°	90.0°
C49	C47	C44	H48	180.0°	90.0°
C49	C47	C44	C40	180.0°	90.0°
C47	C49	C46	H47	179.9°	90.0°
C29	N06	RU01	N08	166.1°	90.0°
C29	N06	RU01	N01	79.7°	90.0°
C29	N06	RU01	N04	0.2°	90.0°
C29	N06	RU01	N07	89.8°	90.0°
C29	N06	RU01	N05	0.6°	90.0°
N06	C29	C27	C26	179.9°	90.0°
N06	C29	C27	N04	0.5°	90.0°
N06	C29	C36	H38	179.8°	90.0°
C29	N06	C38	H40	180.0°	90.0°
N06	RU01	N01	C01	11.7°	90.0°
N06	RU01	N08	C44	118.5°	90.0°
N06	RU01	N08	N01	93.6°	90.0°
N06	RU01	N08	N04	122.4°	90.0°
N06	RU01	N08	N07	117.8°	90.0°
N06	RU01	N08	N05	170.7°	90.0°
RU01	N06	C29	C27	0.4°	90.0°
N06	RU01	N01	C23	169.1°	90.0°
N06	RU01	N01	N04	60.8°	90.0°
N06	RU01	N01	N07	162.4°	90.0°
N06	RU01	N01	N05	135.4°	90.0°
N06	RU01	N04	N07	112.1°	90.0°
N06	RU01	N04	N05	179.7°	90.0°
N06	RU01	N07	N05	132.9°	90.0°
N06	RU01	N04	C27	0.1°	90.0°
N06	RU01	N04	C28	179.9°	90.0°
N06	RU01	N07	C40	129.2°	90.0°
N06	RU01	N07	C41	51.5°	90.0°
N06	RU01	N05	C33	179.6°	90.0°
N06	RU01	N05	C30	0.5°	90.0°
RU01	N06	C38	H40	0.2°	90.0°
C01	N01	RU01	N08	137.8°	90.0°
C01	N01	C23	RU01	179.2°	90.0°
C01	N01	C23	C04	2.1°	90.0°
C01	N01	RU01	N04	49.1°	90.0°
C01	N01	RU01	N07	150.7°	90.0°
C01	N01	RU01	N05	123.6°	90.0°
C01	N01	C23	H18	177.9°	90.0°
N01	C01	C02	H23	179.7°	90.0°
C03	C04	C23	N01	2.2°	90.0°
C03	C04	C23	C05	178.6°	90.0°
C03	C04	C05	N02	135.8°	90.0°
C03	C04	C23	H18	177.7°	90.0°
C04	C03	C02	H23	179.8°	90.0°
C03	C04	C05	H25	15.5°	90.0°
C03	C04	C05	H26	104.0°	90.0°
C44	N08	RU01	N01	147.9°	90.0°
N08	C44	C47	C40	179.9°	90.0°
C44	N08	RU01	N04	119.1°	90.0°
C44	N08	RU01	N07	0.7°	90.0°
C44	N08	RU01	N05	70.8°	90.0°
N08	C44	C40	N07	0.3°	90.0°
N08	C44	C40	C43	179.8°	90.0°
N08	C44	C47	H48	180.0°	90.0°
N08	RU01	N01	C23	43.0°	90.0°
N08	RU01	N01	N04	173.1°	90.0°
N08	RU01	N01	N07	71.5°	90.0°
N08	RU01	N01	N05	98.5°	90.0°
RU01	N08	C44	C47	179.3°	90.0°
RU01	N08	C44	C40	0.7°	90.0°
N08	RU01	N04	N07	118.1°	90.0°
N08	RU01	N04	N05	50.5°	90.0°
N08	RU01	N07	N05	98.5°	90.0°
N08	RU01	N04	C27	129.9°	90.0°
N08	RU01	N04	C28	50.3°	90.0°
N08	RU01	N07	C40	0.6°	90.0°
N08	RU01	N07	C41	179.9°	90.0°
N08	RU01	N05	C33	11.1°	90.0°
N08	RU01	N05	C30	168.7°	90.0°
C29	C27	N04	RU01	0.4°	90.0°
C29	C27	C26	N04	179.6°	90.0°
C29	C27	C26	C24	179.9°	90.0°
C29	C27	N04	C28	179.8°	90.0°
C29	C27	C26	H21	0.1°	90.0°
C27	C29	C36	H38	0.2°	90.0°
N01	C23	C04	H18	180.0°	90.0°
N01	C23	C04	C05	179.1°	90.0°
C23	N01	RU01	N04	130.1°	90.0°
C23	N01	RU01	N07	28.5°	90.0°
C23	N01	RU01	N05	55.6°	90.0°
C23	N01	C01	H22	179.2°	90.0°
RU01	N01	C23	C04	178.7°	90.0°
N01	RU01	N04	N07	146.8°	90.0°
N01	RU01	N04	N05	79.2°	90.0°
N01	RU01	N07	N05	27.8°	90.0°
N01	RU01	N04	C27	101.2°	90.0°
N01	RU01	N04	C28	79.0°	90.0°
N01	RU01	N07	C40	70.1°	90.0°
N01	RU01	N07	C41	109.3°	90.0°
N01	RU01	N05	C33	92.3°	90.0°
N01	RU01	N05	C30	87.5°	90.0°
RU01	N01	C23	H18	1.3°	90.0°
RU01	N01	C01	H22	0.0°	90.0°
C23	C04	C05	N02	42.9°	90.0°
C23	C04	C03	H24	178.9°	90.0°
C23	C04	C05	H25	163.1°	90.0°
C23	C04	C05	H26	77.3°	90.0°
C04	C05	N02	H25	120.2°	90.0°
C04	C05	N02	H26	120.2°	90.0°
C04	C05	N02	C06	139.4°	90.0°
C05	C04	C23	H18	0.9°	90.0°
C05	C04	C03	H24	0.3°	90.0°
C04	C05	H25	H26	119.3°	90.0°
C04	C05	N02	H53	40.6°	90.0°
C47	C44	C40	N07	179.7°	90.0°
C47	C44	C40	C43	0.3°	90.0°
C44	C47	C49	H49	179.8°	90.0°
C44	C40	N07	RU01	0.3°	90.0°
C44	C40	N07	C43	179.4°	90.0°
C44	C40	N07	C41	179.8°	90.0°
C44	C40	C43	C39	179.9°	90.0°
C44	C40	C43	H43	0.1°	90.0°
C40	C44	C47	H48	0.1°	90.0°
C20	C19	C22	C21	119.7°	90.0°
C20	C19	C22	O03	118.0°	90.0°
C20	C19	C21	O03	120.9°	90.0°
C20	C19	O03	C18	152.9°	90.0°
C19	C20	H9	H10	120.0°	90.0°
C19	C20	H9	H11	120.0°	90.0°
C19	C20	H10	H11	120.0°	90.0°
C20	C19	C21	H12	180.0°	90.0°
C20	C19	C21	H13	60.0°	90.0°
C20	C19	C21	H14	60.0°	90.0°
C20	C19	C22	H15	180.0°	90.0°
C20	C19	C22	H16	60.0°	90.0°
C20	C19	C22	H17	60.0°	90.0°
N04	RU01	N07	N05	68.8°	90.0°
RU01	N04	C27	C26	180.0°	90.0°
RU01	N04	C27	C28	179.8°	90.0°
N04	RU01	N07	C40	166.7°	90.0°
N04	RU01	N07	C41	12.6°	90.0°
N04	RU01	N05	C33	180.0°	90.0°
N04	RU01	N05	C30	0.1°	90.0°
RU01	N04	C28	C30	0.2°	90.0°
RU01	N04	C28	C25	179.6°	90.0°
N07	RU01	N04	C27	112.0°	90.0°
N07	RU01	N04	C28	67.8°	90.0°
RU01	N07	C40	C41	179.4°	90.0°
RU01	N07	C40	C43	179.0°	90.0°
N07	RU01	N05	C33	72.5°	90.0°
N07	RU01	N05	C30	107.6°	90.0°
RU01	N07	C41	C45	1.2°	90.0°
RU01	N07	C41	C42	179.8°	90.0°
N05	RU01	N04	C27	179.6°	90.0°
N05	RU01	N04	C28	0.2°	90.0°
N05	RU01	N07	C40	97.9°	90.0°
N05	RU01	N07	C41	81.4°	90.0°
RU01	N05	C33	C30	179.8°	90.0°
RU01	N05	C30	C28	0.1°	90.0°
RU01	N05	C33	C31	179.6°	90.0°
RU01	N05	C30	C32	180.0°	90.0°
RU01	N05	C33	H35	0.4°	90.0°
C05	N02	C06	O01	0.6°	90.0°
C05	N02	C06	H53	180.0°	90.0°
C05	N02	C06	C07	178.3°	90.0°
N02	C05	H25	H26	119.3°	90.0°
C27	C26	C24	H21	180.0°	90.0°
C26	C27	N04	C28	0.2°	90.0°
C27	C26	C24	C25	0.0°	90.0°
C27	C26	C24	H19	180.0°	90.0°
N04	C27	C26	C24	0.3°	90.0°
C27	N04	C28	C30	179.6°	90.0°
C27	N04	C28	C25	0.2°	90.0°
N04	C27	C26	H21	179.7°	90.0°
C22	C19	C21	O03	120.1°	90.0°
C22	C19	O03	C18	89.6°	90.0°
C22	C19	C20	H9	180.0°	90.0°
C22	C19	C20	H10	60.0°	90.0°
C22	C19	C20	H11	60.0°	90.0°
C22	C19	C21	H12	61.0°	90.0°
C22	C19	C21	H13	59.0°	90.0°
C22	C19	C21	H14	179.0°	90.0°
C19	C22	H15	H16	120.0°	90.0°
C19	C22	H15	H17	120.0°	90.0°
C19	C22	H16	H17	120.0°	90.0°
C26	C24	C25	H19	180.0°	90.0°
C26	C24	C25	C28	0.4°	90.0°
C26	C24	C25	H20	179.6°	90.0°
O01	C06	N02	C07	178.9°	90.0°
O01	C06	C07	C08	18.1°	90.0°
O01	C06	C07	H27	102.9°	90.0°
O01	C06	C07	H28	139.2°	90.0°
O01	C06	N02	H53	179.4°	90.0°
N04	C28	C30	N05	0.1°	90.0°
N04	C28	C25	C24	0.5°	90.0°
N04	C28	C30	C25	179.3°	90.0°
N04	C28	C30	C32	179.9°	90.0°
N04	C28	C25	H20	179.5°	90.0°
N07	C40	C43	C39	0.5°	90.0°
C40	N07	C41	C45	179.6°	90.0°
C40	N07	C41	C42	0.5°	90.0°
N07	C40	C43	H43	179.5°	90.0°
C43	C40	N07	C41	0.4°	90.0°
C40	C43	C39	H43	180.0°	90.0°
C40	C43	C39	C42	0.3°	90.0°
C40	C43	C39	H41	179.7°	90.0°
C21	C19	O03	C18	31.8°	90.0°
C21	C19	C20	H9	59.9°	90.0°
C21	C19	C20	H10	60.2°	90.0°
C21	C19	C20	H11	179.8°	90.0°
C19	C21	H12	H13	120.0°	90.0°
C19	C21	H12	H14	120.0°	90.0°
C19	C21	H13	H14	120.0°	90.0°
C21	C19	C22	H15	60.3°	90.0°
C21	C19	C22	H16	179.7°	90.0°
C21	C19	C22	H17	59.7°	90.0°
C19	O03	C18	N03	72.4°	90.0°
C19	O03	C18	O02	107.1°	90.0°
O03	C19	C20	H9	62.7°	90.0°
O03	C19	C20	H10	177.3°	90.0°
O03	C19	C20	H11	57.3°	90.0°
O03	C19	C21	H12	59.1°	90.0°
O03	C19	C21	H13	179.1°	90.0°
O03	C19	C21	H14	60.9°	90.0°
O03	C19	C22	H15	62.0°	90.0°
O03	C19	C22	H16	58.0°	90.0°
O03	C19	C22	H17	178.0°	90.0°
N07	C41	C45	C42	179.1°	90.0°
N07	C41	C42	C39	1.4°	90.0°
N07	C41	C42	H42	178.7°	90.0°
N07	C41	C45	H44	180.0°	90.0°
N07	C41	C45	H45	60.0°	90.0°
N07	C41	C45	H46	60.0°	90.0°
N02	C06	C07	C08	163.0°	90.0°
C06	N02	C05	H25	100.4°	90.0°
C06	N02	C05	H26	19.1°	90.0°
N02	C06	C07	H27	76.0°	90.0°
N02	C06	C07	H28	41.9°	90.0°
C43	C39	C42	C41	1.2°	90.0°
C43	C39	C42	H41	180.0°	90.0°
C43	C39	C42	H42	178.8°	90.0°
C06	C07	C08	H27	121.0°	90.0°
C06	C07	C08	H28	121.1°	90.0°
C06	C07	C08	S01	70.9°	90.0°
C06	C07	H27	H28	116.8°	90.0°
C06	C07	C08	H29	48.5°	90.0°
C06	C07	C08	H30	169.8°	90.0°
C07	C06	N02	H53	1.7°	90.0°
C33	N05	C30	C28	179.9°	90.0°
N05	C33	C31	H35	180.0°	90.0°
C33	N05	C30	C32	0.1°	90.0°
N05	C33	C31	C34	0.4°	90.0°
N05	C33	C31	H33	179.5°	90.0°
N05	C30	C28	C32	180.0°	90.0°
N05	C30	C28	C25	179.4°	90.0°
C30	N05	C33	C31	0.2°	90.0°
N05	C30	C32	C34	0.2°	90.0°
N05	C30	C32	H34	179.8°	90.0°
C30	N05	C33	H35	179.7°	90.0°
C24	C25	C28	C30	179.7°	90.0°
C24	C25	C28	H20	180.0°	90.0°
C25	C24	C26	H21	180.0°	90.0°
C28	C30	C32	C34	179.8°	90.0°
C30	C28	C25	H20	0.3°	90.0°
C28	C30	C32	H34	0.2°	90.0°
C25	C28	C30	C32	0.6°	90.0°
C28	C25	C24	H19	179.6°	90.0°
C45	C41	C42	C39	179.5°	90.0°
C45	C41	C42	H42	0.5°	90.0°
C41	C45	H44	H45	120.0°	90.0°
C41	C45	H44	H46	120.0°	90.0°
C41	C45	H45	H46	120.0°	90.0°
C41	C42	C39	H42	180.0°	90.0°
C41	C42	C39	H41	178.8°	90.0°
C42	C41	C45	H44	0.9°	90.0°
C42	C41	C45	H45	119.1°	90.0°
C42	C41	C45	H46	120.9°	90.0°
O03	C18	N03	O02	179.5°	90.0°
O03	C18	N03	C10	131.2°	90.0°
O03	C18	N03	H54	48.8°	90.0°
C33	C31	C34	H33	180.0°	90.0°
C33	C31	C34	C32	0.3°	90.0°
C33	C31	C34	H36	179.7°	90.0°
C30	C32	C34	C31	0.0°	90.0°
C30	C32	C34	H34	180.0°	90.0°
C30	C32	C34	H36	180.0°	90.0°
C42	C39	C43	H43	179.7°	90.0°
C07	C08	S01	H29	119.4°	90.0°
C07	C08	S01	H30	119.3°	90.0°
C07	C08	S01	C09	81.5°	90.0°
C08	C07	H27	H28	116.8°	90.0°
C07	C08	H29	H30	121.9°	90.0°
C08	S01	C09	C10	142.0°	90.0°
S01	C08	C07	H27	168.1°	90.0°
S01	C08	C07	H28	50.2°	90.0°
S01	C08	H29	H30	121.9°	90.0°
C08	S01	C09	H31	97.7°	90.0°
C08	S01	C09	H32	21.7°	90.0°
C18	N03	C10	H54	180.0°	90.0°
C18	N03	C10	C09	164.5°	90.0°
C18	N03	C10	C11	73.0°	90.0°
C18	N03	C10	H1	46.9°	90.0°
O02	C18	N03	C10	49.3°	90.0°
O02	C18	N03	H54	130.7°	90.0°
S01	C09	C10	N03	33.3°	90.0°
S01	C09	C10	H31	120.3°	90.0°
S01	C09	C10	H32	120.3°	90.0°
S01	C09	C10	C11	156.0°	90.0°
S01	C09	C10	H1	84.9°	90.0°
C09	S01	C08	H29	159.1°	90.0°
C09	S01	C08	H30	37.8°	90.0°
S01	C09	H31	H32	119.2°	90.0°
C31	C34	C32	H36	180.0°	90.0°
C31	C34	C32	H34	180.0°	90.0°
C34	C31	C33	H35	179.5°	90.0°
C32	C34	C31	H33	179.7°	90.0°
N03	C10	C09	C11	122.7°	90.0°
N03	C10	C09	H1	118.3°	90.0°
N03	C10	C11	H1	120.4°	90.0°
N03	C10	C11	C12	59.6°	90.0°
N03	C10	C11	H2	61.4°	90.0°
N03	C10	C11	H3	179.4°	90.0°
N03	C10	C09	H31	153.6°	90.0°
N03	C10	C09	H32	86.9°	90.0°
C09	C10	C11	H1	119.1°	90.0°
C09	C10	C11	C12	60.8°	90.0°
C09	C10	C11	H2	178.2°	90.0°
C09	C10	C11	H3	60.2°	90.0°
C10	C09	H31	H32	119.2°	90.0°
C09	C10	N03	H54	15.5°	90.0°
C10	C11	C12	C17	90.0°	90.0°
C10	C11	C12	H2	121.0°	90.0°
C10	C11	C12	H3	121.0°	90.0°
C10	C11	C12	C13	90.8°	90.0°
C10	C11	H2	H3	116.8°	90.0°
C11	C10	C09	H31	83.7°	90.0°
C11	C10	C09	H32	35.8°	90.0°
C11	C10	N03	H54	107.0°	90.0°
C16	C17	C12	H8	180.0°	90.0°
C17	C16	C15	H7	180.0°	90.0°
C16	C17	C12	C11	179.7°	90.0°
C16	C17	C12	C13	0.6°	90.0°
C17	C16	C15	C14	0.1°	90.0°
C17	C16	C15	H6	179.9°	90.0°
C12	C17	C16	C15	0.2°	90.0°
C17	C12	C11	C13	179.1°	90.0°
C17	C12	C13	C14	0.6°	90.0°
C17	C12	C11	H2	30.9°	90.0°
C17	C12	C11	H3	148.9°	90.0°
C17	C12	C13	H4	179.4°	90.0°
C12	C17	C16	H7	179.8°	90.0°
C16	C15	C14	H6	180.0°	90.0°
C16	C15	C14	C13	0.0°	90.0°
C16	C15	C14	H5	180.0°	90.0°
C15	C16	C17	H8	179.8°	90.0°
C11	C12	C13	C14	179.8°	90.0°
C12	C11	C10	H1	180.0°	90.0°
C12	C11	H2	H3	116.8°	90.0°
C11	C12	C13	H4	0.3°	90.0°
C11	C12	C17	H8	0.3°	90.0°
C12	C13	C14	C15	0.3°	90.0°
C12	C13	C14	H4	180.0°	90.0°
C13	C12	C11	H2	148.2°	90.0°
C13	C12	C11	H3	30.2°	90.0°
C12	C13	C14	H5	179.7°	90.0°
C13	C12	C17	H8	179.4°	90.0°
C15	C14	C13	H5	180.0°	90.0°
C15	C14	C13	H4	179.7°	90.0°
C14	C15	C16	H7	179.9°	90.0°
C13	C14	C15	H6	180.0°	90.0°
H1	C10	C11	H2	59.1°	90.0°
H1	C10	C11	H3	59.0°	90.0°
H1	C10	C09	H31	35.3°	90.0°
H1	C10	C09	H32	154.8°	90.0°
H1	C10	N03	H54	133.2°	90.0°
H4	C13	C14	H5	0.3°	90.0°
H5	C14	C15	H6	0.0°	90.0°
H6	C15	C16	H7	0.1°	90.0°
H7	C16	C17	H8	0.2°	90.0°
H9	C20	H10	H11	120.0°	90.0°
H12	C21	H13	H14	120.0°	90.0°
H15	C22	H16	H17	120.0°	90.0°
H19	C24	C25	H20	0.4°	90.0°
H19	C24	C26	H21	0.1°	90.0°
H22	C01	C02	H23	0.4°	90.0°
H23	C02	C03	H24	0.2°	90.0°
H25	C05	N02	H53	79.6°	90.0°
H26	C05	N02	H53	160.9°	90.0°
H27	C07	C08	H29	72.5°	90.0°
H27	C07	C08	H30	48.8°	90.0°
H28	C07	C08	H29	169.6°	90.0°
H28	C07	C08	H30	69.2°	90.0°
H33	C31	C33	H35	0.5°	90.0°
H33	C31	C34	H36	0.3°	90.0°
H34	C32	C34	H36	0.0°	90.0°
H37	C35	C37	H39	0.1°	90.0°
H37	C35	C38	H40	0.1°	90.0°
H38	C36	C37	H39	0.0°	90.0°
H41	C39	C42	H42	1.2°	90.0°
H41	C39	C43	H43	0.3°	90.0°
H44	C45	H45	H46	120.0°	90.0°
H47	C46	C49	H49	0.1°	90.0°
H48	C47	C49	H49	0.2°	90.0°
H50	C50	H51	H52	120.0°	90.0°

Release date:	2021-06-02
Definition date:	2020-12-03
Last modified:	2021-05-28
Release status:	REL
Processing site:	RCSB
Derived from:	7KS8