KHN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C44	C45	doub	0.00Å	1.37Å	Aromatic
C44	C42	sing	0.00Å	1.47Å	Aromatic
C45	C46	sing	0.00Å	1.48Å	Aromatic
C41	C42	doub	0.00Å	1.30Å	Aromatic
C41	C40	sing	0.00Å	1.44Å	Aromatic
C42	C43	sing	0.00Å	1.44Å	Aromatic
C40	C39	doub	0.00Å	1.33Å	Aromatic
C46	C49	doub	0.00Å	1.30Å	Aromatic
C46	C47	sing	0.00Å	1.44Å	Aromatic
C49	C50	sing	0.00Å	1.45Å	Aromatic
C43	C47	sing	0.00Å	1.34Å	Aromatic
C43	N38	doub	0.00Å	1.38Å	Aromatic
C47	N48	doub	0.00Å	1.39Å	Aromatic
C39	N38	sing	0.00Å	1.39Å	Aromatic
N38	RU	sing	0.00Å	2.01Å
C26	C25	doub	0.00Å	1.34Å	Aromatic
C26	C27	sing	0.00Å	1.45Å	Aromatic
C25	N24	sing	0.00Å	1.41Å	Aromatic
C50	C51	doub	0.00Å	1.36Å	Aromatic
N48	C51	sing	0.00Å	1.41Å	Aromatic
N48	RU	sing	0.00Å	2.02Å
C27	C29	doub	0.00Å	1.30Å	Aromatic
N24	RU	sing	0.00Å	1.98Å
N24	C28	doub	0.00Å	1.39Å	Aromatic
RU	N15	sing	0.00Å	2.00Å
RU	N20	sing	0.00Å	2.00Å
RU	N37	sing	0.00Å	2.01Å
C14	N15	doub	0.00Å	1.41Å	Aromatic
C14	C13	sing	0.00Å	1.34Å	Aromatic
C29	C28	sing	0.00Å	1.43Å	Aromatic
C29	C30	sing	0.00Å	1.48Å	Aromatic
N15	C16	sing	0.00Å	1.39Å	Aromatic
C28	C36	sing	0.00Å	1.34Å	Aromatic
C13	C12	doub	0.00Å	1.49Å	Aromatic
N20	C21	doub	0.00Å	1.41Å	Aromatic
N20	C17	sing	0.00Å	1.39Å	Aromatic
C21	C22	sing	0.00Å	1.33Å	Aromatic
C16	C17	doub	0.00Å	1.40Å	Aromatic
C16	C11	sing	0.00Å	1.37Å	Aromatic
C30	C31	doub	0.00Å	1.36Å	Aromatic
C17	C18	sing	0.00Å	1.38Å	Aromatic
C36	N37	doub	0.00Å	1.38Å	Aromatic
C36	C32	sing	0.00Å	1.44Å	Aromatic
N37	C35	sing	0.00Å	1.40Å	Aromatic
C12	C11	sing	0.00Å	1.35Å	Aromatic
C22	C23	doub	0.00Å	1.50Å	Aromatic
C11	C08	doub	0.00Å	1.39Å	Aromatic
C18	C23	sing	0.00Å	1.36Å	Aromatic
C18	C09	doub	0.00Å	1.38Å	Aromatic
C31	C32	sing	0.00Å	1.48Å	Aromatic
C35	C34	doub	0.00Å	1.36Å	Aromatic
C32	C33	doub	0.00Å	1.30Å	Aromatic
C08	C09	sing	0.00Å	1.43Å	Aromatic
C08	N07	sing	0.00Å	1.34Å	Aromatic
C09	N10	sing	0.00Å	1.35Å	Aromatic
N07	C05	doub	0.00Å	1.30Å	Aromatic
O68	N66	sing	0.00Å	1.32Å
C33	C34	sing	0.00Å	1.44Å	Aromatic
N10	C06	doub	0.00Å	1.29Å	Aromatic
C05	C06	sing	0.00Å	1.44Å	Aromatic
C05	C04	sing	0.00Å	1.42Å	Aromatic
C06	C03	sing	0.00Å	1.39Å	Aromatic
N66	C04	sing	0.00Å	1.43Å
N66	O67	doub	0.00Å	1.19Å
C04	C01	doub	0.00Å	1.41Å	Aromatic
C03	C02	doub	0.00Å	1.39Å	Aromatic
C01	C02	sing	0.00Å	1.40Å	Aromatic
C12	H54	sing	0.00Å	1.08Å
C22	H79	sing	0.00Å	1.08Å
C23	H57	sing	0.00Å	1.08Å
C25	H58	sing	0.00Å	1.08Å
C26	H59	sing	0.00Å	1.08Å
C27	H60	sing	0.00Å	1.08Å
C30	H61	sing	0.00Å	1.08Å
C01	H69	sing	0.00Å	1.08Å
C02	H52	sing	0.00Å	1.08Å
C03	H53	sing	0.00Å	1.08Å
C13	H55	sing	0.00Å	1.08Å
C14	H56	sing	0.00Å	1.08Å
C21	H78	sing	0.00Å	1.08Å
C31	H62	sing	0.00Å	1.08Å
C33	H63	sing	0.00Å	1.08Å
C34	H64	sing	0.00Å	1.08Å
C35	H65	sing	0.00Å	1.08Å
C39	H70	sing	0.00Å	1.08Å
C40	H71	sing	0.00Å	1.08Å
C41	H72	sing	0.00Å	1.08Å
C44	H73	sing	0.00Å	1.08Å
C45	H74	sing	0.00Å	1.08Å
C49	H75	sing	0.00Å	1.08Å
C50	H76	sing	0.00Å	1.08Å
C51	H77	sing	0.00Å	1.08Å
O68	H1	sing	0.00Å	17.70Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C45	C44	C42	121.3°	90.0°
C44	C45	C46	120.6°	90.0°
C45	C44	H73	119.4°	90.0°
C44	C45	H74	119.7°	90.0°
C44	C42	C41	124.8°	90.0°
C44	C42	C43	116.4°	90.0°
C42	C44	H73	119.4°	90.0°
C45	C46	C49	124.4°	90.0°
C45	C46	C47	116.3°	90.0°
C46	C45	H74	119.7°	90.0°
C42	C41	C40	122.1°	90.0°
C41	C42	C43	118.9°	90.0°
C42	C41	H72	118.9°	90.0°
C41	C40	C39	121.0°	90.0°
C41	C40	H71	119.5°	90.0°
C40	C41	H72	119.0°	90.0°
C42	C43	C47	122.8°	90.0°
C42	C43	N38	117.3°	90.0°
C40	C39	N38	116.5°	90.0°
C40	C39	H70	121.8°	90.0°
C39	C40	H71	119.5°	90.0°
C49	C46	C47	119.2°	90.0°
C46	C49	C50	122.2°	90.0°
C46	C49	H75	118.9°	90.0°
C46	C47	C43	122.6°	90.0°
C46	C47	N48	118.6°	90.0°
C49	C50	C51	120.8°	90.0°
C50	C49	H75	118.9°	90.0°
C49	C50	H76	119.6°	90.0°
C47	C43	N38	119.9°	90.0°
C43	C47	N48	118.8°	90.0°
C43	N38	C39	124.2°	90.0°
C43	N38	RU	108.8°	90.0°
C47	N48	C51	122.1°	90.0°
C47	N48	RU	108.6°	90.0°
C39	N38	RU	126.9°	90.0°
N38	C39	H70	121.7°	90.0°
N38	RU	N48	83.9°	90.0°
N38	RU	N24	89.8°	90.0°
N38	RU	N15	95.8°	90.0°
N38	RU	N20	98.5°	90.0°
N38	RU	N37	174.4°	90.0°
C25	C26	C27	120.3°	90.0°
C26	C25	N24	116.6°	90.0°
C26	C25	H58	121.7°	90.0°
C25	C26	H59	119.8°	90.0°
C26	C27	C29	122.8°	90.0°
C27	C26	H59	119.8°	90.0°
C26	C27	H60	118.6°	90.0°
C25	N24	RU	128.3°	90.0°
C25	N24	C28	123.7°	90.0°
N24	C25	H58	121.7°	90.0°
C50	C51	N48	117.1°	90.0°
C51	C50	H76	119.6°	90.0°
C50	C51	H77	121.4°	90.0°
C51	N48	RU	129.3°	90.0°
N48	C51	H77	121.5°	90.0°
N48	RU	N24	88.9°	90.0°
N48	RU	N15	93.2°	90.0°
N48	RU	N20	177.6°	90.0°
N48	RU	N37	93.3°	90.0°
C27	C29	C28	119.2°	90.0°
C27	C29	C30	124.3°	90.0°
C29	C27	H60	118.6°	90.0°
RU	N24	C28	108.0°	90.0°
N24	RU	N15	174.1°	90.0°
N24	RU	N20	91.4°	90.0°
N24	RU	N37	85.3°	90.0°
N24	C28	C29	117.3°	90.0°
N24	C28	C36	119.8°	90.0°
N15	RU	N20	86.3°	90.0°
N15	RU	N37	89.1°	90.0°
RU	N15	C14	128.6°	90.0°
RU	N15	C16	108.0°	90.0°
N20	RU	N37	84.3°	90.0°
RU	N20	C21	127.6°	90.0°
RU	N20	C17	108.3°	90.0°
RU	N37	C36	107.5°	90.0°
RU	N37	C35	129.5°	90.0°
N15	C14	C13	117.6°	90.0°
C14	N15	C16	123.2°	90.0°
N15	C14	H56	121.2°	90.0°
C14	C13	C12	119.3°	90.0°
C14	C13	H55	120.3°	90.0°
C13	C14	H56	121.2°	90.0°
C28	C29	C30	116.5°	90.0°
C29	C28	C36	122.9°	90.0°
C29	C30	C31	120.8°	90.0°
C29	C30	H61	119.6°	90.0°
N15	C16	C17	119.0°	90.0°
N15	C16	C11	119.5°	90.0°
C28	C36	N37	119.4°	90.0°
C28	C36	C32	122.6°	90.0°
C13	C12	C11	120.9°	90.0°
C13	C12	H54	119.5°	90.0°
C12	C13	H55	120.4°	90.0°
C21	N20	C17	124.0°	90.0°
N20	C21	C22	117.3°	90.0°
N20	C21	H78	121.3°	90.0°
N20	C17	C16	118.3°	90.0°
N20	C17	C18	118.9°	90.0°
C21	C22	C23	119.4°	90.0°
C21	C22	H79	120.3°	90.0°
C22	C21	H78	121.3°	90.0°
C17	C16	C11	121.5°	90.0°
C16	C17	C18	122.9°	90.0°
C16	C11	C12	119.4°	90.0°
C16	C11	C08	116.8°	90.0°
C30	C31	C32	121.2°	90.0°
C31	C30	H61	119.6°	90.0°
C30	C31	H62	119.4°	90.0°
C17	C18	C23	119.6°	90.0°
C17	C18	C09	116.8°	90.0°
N37	C36	C32	117.9°	90.0°
C36	N37	C35	122.9°	90.0°
C36	C32	C31	116.0°	90.0°
C36	C32	C33	119.7°	90.0°
N37	C35	C34	117.1°	90.0°
N37	C35	H65	121.5°	90.0°
C12	C11	C08	123.8°	90.0°
C11	C12	H54	119.6°	90.0°
C22	C23	C18	120.7°	90.0°
C23	C22	H79	120.3°	90.0°
C22	C23	H57	119.6°	90.0°
C11	C08	C09	121.7°	90.0°
C11	C08	N07	119.0°	90.0°
C23	C18	C09	123.6°	90.0°
C18	C23	H57	119.6°	90.0°
C18	C09	C08	120.4°	90.0°
C18	C09	N10	119.4°	90.0°
C31	C32	C33	124.3°	90.0°
C32	C31	H62	119.4°	90.0°
C35	C34	C33	120.4°	90.0°
C35	C34	H64	119.8°	90.0°
C34	C35	H65	121.4°	90.0°
C32	C33	C34	121.8°	90.0°
C32	C33	H63	119.1°	90.0°
C09	C08	N07	119.3°	90.0°
C08	C09	N10	120.3°	90.0°
C08	N07	C05	120.0°	90.0°
C09	N10	C06	118.9°	90.0°
N07	C05	C06	120.3°	90.0°
N07	C05	C04	120.0°	90.0°
O68	N66	C04	122.4°	90.0°
O68	N66	O67	117.9°	90.0°
N66	O68	H1	108.5°	90.0°
C34	C33	H63	119.1°	90.0°
C33	C34	H64	119.8°	90.0°
N10	C06	C05	121.2°	90.0°
N10	C06	C03	118.8°	90.0°
C06	C05	C04	119.7°	90.0°
C05	C06	C03	120.0°	90.0°
C05	C04	N66	122.2°	90.0°
C05	C04	C01	118.2°	90.0°
C06	C03	C02	119.8°	90.0°
C06	C03	H53	120.1°	90.0°
C04	N66	O67	119.7°	90.0°
N66	C04	C01	119.6°	90.0°
C04	C01	C02	121.4°	90.0°
C04	C01	H69	119.3°	90.0°
C03	C02	C01	120.9°	90.0°
C03	C02	H52	119.5°	90.0°
C02	C03	H53	120.1°	90.0°
C02	C01	H69	119.3°	90.0°
C01	C02	H52	119.6°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C45	C44	C42	H73	180.0°	90.0°
C44	C45	C46	H74	180.0°	90.0°
C45	C44	C42	C41	179.6°	90.0°
C45	C44	C42	C43	0.1°	90.0°
C44	C45	C46	C49	179.5°	90.0°
C44	C45	C46	C47	0.2°	90.0°
C42	C44	C45	C46	0.0°	90.0°
C44	C42	C41	C43	179.5°	90.0°
C44	C42	C41	C40	179.2°	90.0°
C44	C42	C43	C47	0.5°	90.0°
C44	C42	C43	N38	179.4°	90.0°
C44	C42	C41	H72	0.8°	90.0°
C42	C44	C45	H74	180.0°	90.0°
C45	C46	C49	C47	179.3°	90.0°
C45	C46	C49	C50	179.7°	90.0°
C45	C46	C47	C43	0.6°	90.0°
C45	C46	C47	N48	179.0°	90.0°
C46	C45	C44	H73	180.0°	90.0°
C45	C46	C49	H75	0.3°	90.0°
C42	C41	C40	H72	180.0°	90.0°
C42	C41	C40	C39	0.9°	90.0°
C41	C42	C43	C47	180.0°	90.0°
C41	C42	C43	N38	1.0°	90.0°
C42	C41	C40	H71	179.1°	90.0°
C41	C42	C44	H73	0.5°	90.0°
C40	C41	C42	C43	0.3°	90.0°
C41	C40	C39	H71	180.0°	90.0°
C41	C40	C39	N38	0.2°	90.0°
C41	C40	C39	H70	179.9°	90.0°
C42	C43	C47	C46	0.8°	90.0°
C42	C43	C47	N38	178.9°	90.0°
C42	C43	C47	N48	178.8°	90.0°
C42	C43	N38	C39	1.9°	90.0°
C42	C43	N38	RU	179.6°	90.0°
C43	C42	C41	H72	179.7°	90.0°
C43	C42	C44	H73	179.9°	90.0°
C40	C39	N38	C43	1.2°	90.0°
C40	C39	N38	H70	180.0°	90.0°
C40	C39	N38	RU	178.5°	90.0°
C39	C40	C41	H72	179.1°	90.0°
C46	C49	C50	H75	180.0°	90.0°
C49	C46	C47	C43	179.9°	90.0°
C49	C46	C47	N48	0.4°	90.0°
C46	C49	C50	C51	0.4°	90.0°
C49	C46	C45	H74	0.5°	90.0°
C46	C49	C50	H76	179.6°	90.0°
C47	C46	C49	C50	0.4°	90.0°
C46	C47	C43	N48	179.6°	90.0°
C46	C47	C43	N38	179.7°	90.0°
C46	C47	N48	C51	1.2°	90.0°
C46	C47	N48	RU	178.8°	90.0°
C47	C46	C45	H74	179.8°	90.0°
C47	C46	C49	H75	179.6°	90.0°
C49	C50	C51	H76	180.0°	90.0°
C49	C50	C51	N48	0.4°	90.0°
C49	C50	C51	H77	179.5°	90.0°
C47	C43	N38	C39	179.2°	90.0°
C47	C43	N38	RU	1.4°	90.0°
C43	C47	N48	C51	179.2°	90.0°
C43	C47	N48	RU	1.6°	90.0°
N38	C43	C47	N48	0.1°	90.0°
C43	N38	C39	RU	177.3°	90.0°
C43	N38	RU	N48	1.8°	90.0°
C43	N38	RU	N24	87.1°	90.0°
C43	N38	RU	N15	94.3°	90.0°
C43	N38	RU	N20	178.5°	90.0°
C43	N38	RU	N37	58.5°	90.0°
C43	N38	C39	H70	178.7°	90.0°
C47	N48	RU	N38	1.8°	90.0°
C47	N48	C51	C50	1.2°	90.0°
C47	N48	C51	RU	177.0°	90.0°
C47	N48	RU	N24	88.1°	90.0°
C47	N48	RU	N15	97.4°	90.0°
C47	N48	RU	N20	175.1°	90.0°
C47	N48	RU	N37	173.3°	90.0°
C47	N48	C51	H77	178.7°	90.0°
C39	N38	RU	N48	179.4°	90.0°
C39	N38	RU	N24	90.5°	90.0°
C39	N38	RU	N15	88.0°	90.0°
C39	N38	RU	N20	0.9°	90.0°
C39	N38	RU	N37	119.2°	90.0°
N38	C39	C40	H71	179.8°	90.0°
N38	RU	N24	C25	5.5°	90.0°
N38	RU	N48	C51	179.2°	90.0°
N38	RU	N48	N24	90.0°	90.0°
N38	RU	N48	N15	95.5°	90.0°
N38	RU	N48	N20	173.2°	90.0°
N38	RU	N48	N37	175.2°	90.0°
N38	RU	N24	N15	165.8°	90.0°
N38	RU	N24	N20	98.5°	90.0°
N38	RU	N24	N37	177.3°	90.0°
N38	RU	N24	C28	177.2°	90.0°
N38	RU	N15	N20	98.2°	90.0°
N38	RU	N15	N37	177.5°	90.0°
N38	RU	N20	N37	175.2°	90.0°
N38	RU	N15	C14	83.2°	90.0°
N38	RU	N15	C16	101.0°	90.0°
N38	RU	N20	C21	85.3°	90.0°
N38	RU	N20	C17	98.6°	90.0°
N38	RU	N37	C36	27.7°	90.0°
N38	RU	N37	C35	149.5°	90.0°
RU	N38	C39	H70	1.5°	90.0°
C25	C26	C27	H59	180.0°	90.0°
C26	C25	N24	H58	180.0°	90.0°
C25	C26	C27	C29	1.9°	90.0°
C26	C25	N24	RU	179.7°	90.0°
C26	C25	N24	C28	2.8°	90.0°
C25	C26	C27	H60	178.2°	90.0°
C27	C26	C25	N24	2.3°	90.0°
C26	C27	C29	H60	180.0°	90.0°
C26	C27	C29	C28	1.5°	90.0°
C26	C27	C29	C30	179.8°	90.0°
C27	C26	C25	H58	177.7°	90.0°
C25	N24	RU	N48	89.3°	90.0°
C25	N24	RU	C28	177.3°	90.0°
C25	N24	RU	N15	160.3°	90.0°
C25	N24	RU	N20	93.1°	90.0°
C25	N24	RU	N37	177.2°	90.0°
C25	N24	C28	C29	2.5°	90.0°
C25	N24	C28	C36	178.4°	90.0°
N24	C25	C26	H59	177.7°	90.0°
C50	C51	N48	H77	180.0°	90.0°
C50	C51	N48	RU	178.3°	90.0°
C51	C50	C49	H75	179.6°	90.0°
C51	N48	RU	N24	89.2°	90.0°
C51	N48	RU	N15	85.3°	90.0°
C51	N48	RU	N20	7.6°	90.0°
C51	N48	RU	N37	4.0°	90.0°
N48	C51	C50	H76	179.6°	90.0°
N48	RU	N24	N15	110.3°	90.0°
N48	RU	N24	N20	177.6°	90.0°
N48	RU	N24	N37	93.4°	90.0°
N48	RU	N24	C28	93.4°	90.0°
N48	RU	N15	N20	177.6°	90.0°
N48	RU	N15	N37	93.3°	90.0°
N48	RU	N20	N37	11.6°	90.0°
N48	RU	N15	C14	1.0°	90.0°
N48	RU	N15	C16	174.8°	90.0°
N48	RU	N20	C21	101.5°	90.0°
N48	RU	N20	C17	74.6°	90.0°
N48	RU	N37	C36	87.6°	90.0°
N48	RU	N37	C35	89.7°	90.0°
RU	N48	C51	H77	1.7°	90.0°
C27	C29	C28	N24	1.8°	90.0°
C27	C29	C28	C30	178.7°	90.0°
C27	C29	C28	C36	179.2°	90.0°
C27	C29	C30	C31	179.5°	90.0°
C29	C27	C26	H59	178.1°	90.0°
C27	C29	C30	H61	0.5°	90.0°
N24	RU	N15	N20	67.5°	90.0°
N24	RU	N15	N37	16.9°	90.0°
N24	RU	N20	N37	85.1°	90.0°
N24	RU	N15	C14	111.1°	90.0°
RU	N24	C28	C29	180.0°	90.0°
N24	RU	N15	C16	64.7°	90.0°
RU	N24	C28	C36	1.0°	90.0°
N24	RU	N20	C21	4.7°	90.0°
N24	RU	N20	C17	171.4°	90.0°
N24	RU	N37	C36	1.0°	90.0°
N24	RU	N37	C35	178.3°	90.0°
RU	N24	C25	H58	0.3°	90.0°
C28	N24	RU	N15	17.0°	90.0°
C28	N24	RU	N20	84.2°	90.0°
C28	N24	RU	N37	0.1°	90.0°
N24	C28	C29	C36	179.0°	90.0°
N24	C28	C29	C30	179.4°	90.0°
N24	C28	C36	N37	2.1°	90.0°
N24	C28	C36	C32	178.9°	90.0°
C28	N24	C25	H58	177.2°	90.0°
N15	RU	N20	N37	89.5°	90.0°
RU	N15	C14	C16	175.3°	90.0°
RU	N15	C14	C13	177.7°	90.0°
N15	RU	N20	C21	179.3°	90.0°
N15	RU	N20	C17	3.2°	90.0°
RU	N15	C16	C17	1.9°	90.0°
RU	N15	C16	C11	177.7°	90.0°
N15	RU	N37	C36	179.3°	90.0°
N15	RU	N37	C35	3.4°	90.0°
RU	N15	C14	H56	2.3°	90.0°
N20	RU	N15	C14	178.6°	90.0°
N20	RU	N15	C16	2.8°	90.0°
RU	N20	C21	C17	175.5°	90.0°
RU	N20	C21	C22	177.6°	90.0°
RU	N20	C17	C16	3.1°	90.0°
RU	N20	C17	C18	178.3°	90.0°
N20	RU	N37	C36	92.9°	90.0°
N20	RU	N37	C35	89.8°	90.0°
RU	N20	C21	H78	2.4°	90.0°
N37	RU	N15	C14	94.3°	90.0°
N37	RU	N15	C16	81.6°	90.0°
RU	N37	C36	C28	1.9°	90.0°
N37	RU	N20	C21	89.8°	90.0°
N37	RU	N20	C17	86.3°	90.0°
RU	N37	C36	C35	177.5°	90.0°
RU	N37	C36	C32	179.0°	90.0°
RU	N37	C35	C34	178.0°	90.0°
RU	N37	C35	H65	2.0°	90.0°
N15	C14	C13	H56	180.0°	90.0°
N15	C14	C13	C12	1.8°	90.0°
C14	N15	C16	C17	178.0°	90.0°
C14	N15	C16	C11	1.6°	90.0°
N15	C14	C13	H55	178.2°	90.0°
C13	C14	N15	C16	2.4°	90.0°
C14	C13	C12	H55	180.0°	90.0°
C14	C13	C12	C11	0.5°	90.0°
C14	C13	C12	H54	179.5°	90.0°
C28	C29	C30	C31	0.9°	90.0°
C29	C28	C36	N37	178.9°	90.0°
C29	C28	C36	C32	0.1°	90.0°
C28	C29	C27	H60	178.5°	90.0°
C28	C29	C30	H61	179.2°	90.0°
C30	C29	C28	C36	0.4°	90.0°
C29	C30	C31	H61	180.0°	90.0°
C29	C30	C31	C32	0.8°	90.0°
C30	C29	C27	H60	0.2°	90.0°
C29	C30	C31	H62	179.2°	90.0°
N15	C16	C17	N20	0.8°	90.0°
N15	C16	C17	C11	179.6°	90.0°
N15	C16	C17	C18	179.4°	90.0°
N15	C16	C11	C12	0.2°	90.0°
N15	C16	C11	C08	179.5°	90.0°
C16	N15	C14	H56	177.5°	90.0°
C28	C36	N37	C32	179.1°	90.0°
C28	C36	N37	C35	179.4°	90.0°
C28	C36	C32	C31	0.1°	90.0°
C28	C36	C32	C33	179.8°	90.0°
C13	C12	C11	C16	0.4°	90.0°
C13	C12	C11	H54	180.0°	90.0°
C13	C12	C11	C08	180.0°	90.0°
C12	C13	C14	H56	178.2°	90.0°
N20	C21	C22	H78	180.0°	90.0°
C21	N20	C17	C16	179.3°	90.0°
C21	N20	C17	C18	2.1°	90.0°
N20	C21	C22	C23	1.0°	90.0°
N20	C21	C22	H79	179.0°	90.0°
C17	N20	C21	C22	2.1°	90.0°
N20	C17	C16	C18	178.5°	90.0°
N20	C17	C16	C11	179.6°	90.0°
N20	C17	C18	C23	0.9°	90.0°
N20	C17	C18	C09	179.1°	90.0°
C17	N20	C21	H78	177.9°	90.0°
C21	C22	C23	H79	180.0°	90.0°
C21	C22	C23	C18	0.0°	90.0°
C21	C22	C23	H57	180.0°	90.0°
C17	C16	C11	C12	179.4°	90.0°
C17	C16	C11	C08	1.0°	90.0°
C16	C17	C18	C23	179.4°	90.0°
C16	C17	C18	C09	0.6°	90.0°
C11	C16	C17	C18	1.1°	90.0°
C16	C11	C12	C08	179.6°	90.0°
C16	C11	C08	C09	0.4°	90.0°
C16	C11	C08	N07	179.9°	90.0°
C16	C11	C12	H54	179.6°	90.0°
C30	C31	C32	C36	0.3°	90.0°
C30	C31	C32	H62	180.0°	90.0°
C30	C31	C32	C33	179.7°	90.0°
C17	C18	C23	C22	0.1°	90.0°
C17	C18	C23	C09	180.0°	90.0°
C17	C18	C09	C08	0.0°	90.0°
C17	C18	C09	N10	179.6°	90.0°
C17	C18	C23	H57	179.9°	90.0°
N37	C36	C32	C31	178.9°	90.0°
C36	N37	C35	C34	1.1°	90.0°
N37	C36	C32	C33	1.2°	90.0°
C36	N37	C35	H65	178.9°	90.0°
C32	C36	N37	C35	1.6°	90.0°
C36	C32	C31	C33	179.9°	90.0°
C36	C32	C33	C34	0.3°	90.0°
C36	C32	C31	H62	179.7°	90.0°
C36	C32	C33	H63	179.7°	90.0°
N37	C35	C34	H65	180.0°	90.0°
N37	C35	C34	C33	0.2°	90.0°
N37	C35	C34	H64	179.8°	90.0°
C12	C11	C08	C09	179.9°	90.0°
C12	C11	C08	N07	0.3°	90.0°
C11	C12	C13	H55	179.5°	90.0°
C22	C23	C18	H57	180.0°	90.0°
C22	C23	C18	C09	180.0°	90.0°
C23	C22	C21	H78	179.0°	90.0°
C11	C08	C09	C18	0.0°	90.0°
C11	C08	C09	N07	179.7°	90.0°
C11	C08	C09	N10	179.6°	90.0°
C11	C08	N07	C05	180.0°	90.0°
C08	C11	C12	H54	0.0°	90.0°
C23	C18	C09	C08	179.9°	90.0°
C23	C18	C09	N10	0.4°	90.0°
C18	C23	C22	H79	180.0°	90.0°
C18	C09	C08	N10	179.6°	90.0°
C18	C09	C08	N07	179.6°	90.0°
C18	C09	N10	C06	180.0°	90.0°
C09	C18	C23	H57	0.1°	90.0°
C31	C32	C33	C34	179.7°	90.0°
C32	C31	C30	H61	179.2°	90.0°
C31	C32	C33	H63	0.3°	90.0°
C35	C34	C33	C32	0.2°	90.0°
C35	C34	C33	H64	180.0°	90.0°
C35	C34	C33	H63	179.9°	90.0°
C32	C33	C34	H63	180.0°	90.0°
C33	C32	C31	H62	0.3°	90.0°
C32	C33	C34	H64	179.8°	90.0°
C09	C08	N07	C05	0.3°	90.0°
C08	C09	N10	C06	0.4°	90.0°
N07	C08	C09	N10	0.0°	90.0°
C08	N07	C05	C06	0.4°	90.0°
C08	N07	C05	C04	179.4°	90.0°
C09	N10	C06	C05	0.4°	90.0°
C09	N10	C06	C03	179.8°	90.0°
N07	C05	C06	N10	0.0°	90.0°
N07	C05	C06	C04	179.8°	90.0°
N07	C05	C06	C03	179.8°	90.0°
N07	C05	C04	N66	0.5°	90.0°
N07	C05	C04	C01	179.8°	90.0°
O68	N66	C04	C05	17.1°	90.0°
O68	N66	C04	O67	179.9°	90.0°
O68	N66	C04	C01	163.6°	90.0°
C33	C34	C35	H65	179.8°	90.0°
N10	C06	C05	C03	179.8°	90.0°
N10	C06	C05	C04	179.8°	90.0°
N10	C06	C03	C02	179.7°	90.0°
N10	C06	C03	H53	0.3°	90.0°
C06	C05	C04	N66	179.8°	90.0°
C06	C05	C04	C01	0.4°	90.0°
C05	C06	C03	C02	0.5°	90.0°
C05	C06	C03	H53	179.6°	90.0°
C04	C05	C06	C03	0.4°	90.0°
C05	C04	N66	C01	179.3°	90.0°
C05	C04	N66	O67	162.8°	90.0°
C05	C04	C01	C02	0.5°	90.0°
C05	C04	C01	H69	179.6°	90.0°
C06	C03	C02	H53	180.0°	90.0°
C06	C03	C02	C01	0.5°	90.0°
C06	C03	C02	H52	179.5°	90.0°
N66	C04	C01	C02	179.8°	90.0°
N66	C04	C01	H69	0.2°	90.0°
C04	N66	O68	H1	25.6°	90.0°
O67	N66	C04	C01	16.6°	90.0°
O67	N66	O68	H1	154.6°	90.0°
C04	C01	C02	C03	0.5°	90.0°
C04	C01	C02	H69	180.0°	90.0°
C04	C01	C02	H52	179.5°	90.0°
C03	C02	C01	H52	180.0°	90.0°
C03	C02	C01	H69	179.5°	90.0°
C01	C02	C03	H53	179.5°	90.0°
H54	C12	C13	H55	0.5°	90.0°
H79	C22	C23	H57	0.0°	90.0°
H79	C22	C21	H78	1.0°	90.0°
H58	C25	C26	H59	2.3°	90.0°
H59	C26	C27	H60	1.8°	90.0°
H61	C30	C31	H62	0.8°	90.0°
H69	C01	C02	H52	0.5°	90.0°
H52	C02	C03	H53	0.5°	90.0°
H55	C13	C14	H56	1.9°	90.0°
H63	C33	C34	H64	0.2°	90.0°
H64	C34	C35	H65	0.2°	90.0°
H70	C39	C40	H71	0.1°	90.0°
H71	C40	C41	H72	0.9°	90.0°
H73	C44	C45	H74	0.0°	90.0°
H75	C49	C50	H76	0.4°	90.0°
H76	C50	C51	H77	0.4°	90.0°

Release date:	2020-07-08
Definition date:	2019-05-22
Last modified:	2020-07-03
Release status:	REL
Processing site:	EBI
Derived from:	6RSO