SF0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C30	C34	sing	0.00Å	1.54Å
C30	N18	sing	0.00Å	1.47Å
C30	O08	sing	0.00Å	1.41Å
C31	C32	sing	0.00Å	1.52Å
C32	C35	sing	0.00Å	1.60Å
C32	C68	sing	0.00Å	1.56Å
C32	N17	sing	0.00Å	1.49Å
C33	N18	sing	0.00Å	1.37Å	Aromatic
C33	N21	doub	0.00Å	1.33Å	Aromatic
C34	C37	sing	0.00Å	1.54Å
C34	O07	sing	0.00Å	1.41Å
C35	C36	sing	0.00Å	1.54Å
C35	C38	sing	0.00Å	1.57Å
C35	C69	sing	0.00Å	1.56Å
C37	C41	sing	0.00Å	1.53Å
C37	O03	sing	0.00Å	1.43Å
C38	C40	sing	0.00Å	1.52Å
C38	C71	sing	0.00Å	1.55Å
C39	C42	doub	0.00Å	1.39Å	Aromatic
C39	C52	sing	0.00Å	1.38Å	Aromatic
C40	C43	sing	0.00Å	1.46Å
C40	N17	doub	0.00Å	1.31Å
C41	C44	sing	0.00Å	1.51Å
C41	O08	sing	0.00Å	1.44Å
C42	C45	sing	0.00Å	1.42Å	Aromatic
C42	C55	sing	0.00Å	1.52Å
C43	C46	doub	0.00Å	1.38Å
C43	C74	sing	0.00Å	1.52Å
C44	O09	sing	0.00Å	1.42Å
C45	C47	doub	0.00Å	1.38Å	Aromatic
C45	C57	sing	0.00Å	1.51Å
C46	C48	sing	0.00Å	1.55Å
C46	N19	sing	0.00Å	1.40Å
C47	C50	sing	0.00Å	1.39Å	Aromatic
C48	C49	sing	0.00Å	1.54Å
C48	C51	sing	0.00Å	1.56Å
C48	C75	sing	0.00Å	1.54Å
C50	C52	doub	0.00Å	1.40Å	Aromatic
C50	N18	sing	0.00Å	1.37Å	Aromatic
C51	C53	sing	0.00Å	1.51Å
C51	C77	sing	0.00Å	1.54Å
C52	N21	sing	0.00Å	1.40Å	Aromatic
C53	C54	sing	0.00Å	1.40Å
C53	N19	doub	0.00Å	1.35Å
C54	C56	doub	0.00Å	1.39Å
C56	C58	sing	0.00Å	1.52Å
C56	N20	sing	0.00Å	1.34Å
C58	C59	sing	0.00Å	1.54Å
C58	C60	sing	0.00Å	1.52Å
C58	C61	sing	0.00Å	1.57Å
C61	C62	sing	0.00Å	1.54Å
C61	C80	sing	0.00Å	1.54Å
C62	C63	doub	0.00Å	1.38Å
C62	N20	sing	0.00Å	1.39Å
C63	C64	sing	0.00Å	1.47Å
C63	C83	sing	0.00Å	1.53Å
C64	C65	sing	0.00Å	1.54Å
C64	N22	doub	0.00Å	1.30Å
C65	C66	sing	0.00Å	1.55Å
C65	C67	sing	0.00Å	1.58Å
C65	C84	sing	0.00Å	1.54Å
C67	C68	sing	0.00Å	1.53Å
C67	C90	sing	0.00Å	1.53Å
C68	N22	sing	0.00Å	1.50Å
C69	C70	sing	0.00Å	1.51Å
C70	N23	sing	0.00Å	1.32Å
C70	O10	doub	0.00Å	1.25Å
C71	C72	sing	0.00Å	1.54Å
C72	C73	sing	0.00Å	1.49Å
C73	N24	sing	0.00Å	1.32Å
C73	O11	doub	0.00Å	1.23Å
C75	C76	sing	0.00Å	1.52Å
C76	N25	sing	0.00Å	1.34Å
C76	O12	doub	0.00Å	1.21Å
C77	C78	sing	0.00Å	1.53Å
C78	C79	sing	0.00Å	1.49Å
C79	N26	sing	0.00Å	1.32Å
C79	O13	doub	0.00Å	1.24Å
C80	C81	sing	0.00Å	1.54Å
C81	C82	sing	0.00Å	1.50Å
C82	N27	sing	0.00Å	1.32Å
C82	O14	doub	0.00Å	1.22Å
C84	C85	sing	0.00Å	1.51Å
C85	C86	sing	0.00Å	1.51Å
C86	N28	sing	0.00Å	1.32Å
C86	O15	doub	0.00Å	1.23Å
C87	C88	sing	0.00Å	1.52Å
C87	N28	sing	0.00Å	1.46Å
C88	C89	sing	0.00Å	1.51Å
C88	O04	sing	0.00Å	1.47Å
C90	C91	sing	0.00Å	1.59Å
C91	N29	sing	0.00Å	1.23Å
C91	O16	doub	0.00Å	1.27Å
N17	RH01	sing	0.00Å	1.96Å
N19	RH01	sing	0.00Å	2.00Å
N20	RH01	sing	0.00Å	1.99Å
N22	RH01	sing	0.00Å	1.96Å
O03	P02	sing	0.00Å	1.61Å
O04	P02	sing	0.00Å	1.60Å
O05	P02	doub	0.00Å	1.47Å
O06	P02	sing	0.00Å	1.49Å
C30	H301	sing	0.00Å	1.10Å
C31	H312	sing	0.00Å	1.10Å
C31	H311	sing	0.00Å	1.10Å
C31	H313	sing	0.00Å	1.10Å
C33	H331	sing	0.00Å	1.08Å
C34	H341	sing	0.00Å	1.10Å
C36	H361	sing	0.00Å	1.10Å
C36	H362	sing	0.00Å	1.10Å
C36	H363	sing	0.00Å	1.10Å
C37	H371	sing	0.00Å	1.10Å
C38	H381	sing	0.00Å	1.10Å
C39	H391	sing	0.00Å	1.08Å
C41	H411	sing	0.00Å	1.10Å
C44	H442	sing	0.00Å	1.10Å
C44	H441	sing	0.00Å	1.10Å
C47	H471	sing	0.00Å	1.08Å
C49	H491	sing	0.00Å	1.10Å
C49	H493	sing	0.00Å	1.10Å
C49	H492	sing	0.00Å	1.10Å
C51	H511	sing	0.00Å	1.10Å
C54	H541	sing	0.00Å	1.08Å
C55	H551	sing	0.00Å	1.10Å
C55	H552	sing	0.00Å	1.10Å
C55	H553	sing	0.00Å	1.10Å
C57	H572	sing	0.00Å	1.10Å
C57	H573	sing	0.00Å	1.10Å
C57	H571	sing	0.00Å	1.10Å
C59	H592	sing	0.00Å	1.10Å
C59	H591	sing	0.00Å	1.10Å
C59	H593	sing	0.00Å	1.10Å
C60	H603	sing	0.00Å	1.10Å
C60	H601	sing	0.00Å	1.10Å
C60	H602	sing	0.00Å	1.10Å
C61	H611	sing	0.00Å	1.10Å
C66	H661	sing	0.00Å	1.10Å
C66	H663	sing	0.00Å	1.10Å
C66	H662	sing	0.00Å	1.10Å
C67	H671	sing	0.00Å	1.10Å
C68	H681	sing	0.00Å	1.10Å
C69	H691	sing	0.00Å	1.10Å
C69	H692	sing	0.00Å	1.10Å
C71	H711	sing	0.00Å	1.10Å
C71	H712	sing	0.00Å	1.10Å
C72	H721	sing	0.00Å	1.10Å
C72	H722	sing	0.00Å	1.10Å
C74	H742	sing	0.00Å	1.10Å
C74	H741	sing	0.00Å	1.10Å
C74	H743	sing	0.00Å	1.10Å
C75	H751	sing	0.00Å	1.10Å
C75	H752	sing	0.00Å	1.10Å
C77	H771	sing	0.00Å	1.10Å
C77	H772	sing	0.00Å	1.10Å
C78	H782	sing	0.00Å	1.10Å
C78	H781	sing	0.00Å	1.10Å
C80	H801	sing	0.00Å	1.10Å
C80	H802	sing	0.00Å	1.10Å
C81	H811	sing	0.00Å	1.10Å
C81	H812	sing	0.00Å	1.10Å
C83	H832	sing	0.00Å	1.10Å
C83	H831	sing	0.00Å	1.10Å
C83	H833	sing	0.00Å	1.10Å
C84	H842	sing	0.00Å	1.10Å
C84	H841	sing	0.00Å	1.10Å
C85	H851	sing	0.00Å	1.10Å
C85	H852	sing	0.00Å	1.10Å
C87	H872	sing	0.00Å	1.10Å
C87	H871	sing	0.00Å	1.10Å
C88	H881	sing	0.00Å	1.10Å
C89	H893	sing	0.00Å	1.10Å
C89	H892	sing	0.00Å	1.10Å
C89	H891	sing	0.00Å	1.10Å
C90	H901	sing	0.00Å	1.10Å
C90	H902	sing	0.00Å	1.10Å
N23	H232	sing	0.00Å	1.00Å
N23	H231	sing	0.00Å	1.00Å
N24	H242	sing	0.00Å	1.00Å
N24	H241	sing	0.00Å	1.00Å
N25	H252	sing	0.00Å	1.00Å
N25	H251	sing	0.00Å	1.00Å
N26	H262	sing	0.00Å	1.00Å
N26	H261	sing	0.00Å	1.00Å
N27	H271	sing	0.00Å	1.00Å
N27	H272	sing	0.00Å	1.00Å
N28	H281	sing	0.00Å	1.00Å
N29	H291	sing	0.00Å	1.00Å
N29	H292	sing	0.00Å	1.00Å
O06	H1	sing	0.00Å	0.95Å
O07	H071	sing	0.00Å	0.95Å
O09	H091	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C34	C30	N18	109.3°	90.0°
C34	C30	O08	107.2°	90.0°
C30	C34	C37	101.8°	90.0°
C30	C34	O07	106.9°	90.0°
C34	C30	H301	108.3°	90.0°
C30	C34	H341	110.8°	90.0°
N18	C30	O08	112.7°	90.0°
C30	N18	C33	128.3°	90.0°
C30	N18	C50	124.8°	90.0°
N18	C30	H301	109.1°	90.0°
C30	O08	C41	112.0°	90.0°
O08	C30	H301	110.0°	90.0°
C31	C32	C35	114.8°	90.0°
C31	C32	C68	109.2°	90.0°
C31	C32	N17	106.9°	90.0°
C32	C31	H312	109.5°	90.0°
C32	C31	H311	109.4°	90.0°
C32	C31	H313	109.5°	90.0°
C35	C32	C68	117.8°	90.0°
C35	C32	N17	101.7°	90.0°
C32	C35	C36	113.9°	90.0°
C32	C35	C38	101.7°	90.0°
C32	C35	C69	110.1°	90.0°
C68	C32	N17	105.1°	90.0°
C32	C68	C67	121.4°	90.0°
C32	C68	N22	109.2°	90.0°
C32	C68	H681	108.0°	90.0°
C32	N17	C40	113.7°	90.0°
C32	N17	RH01	117.3°	90.0°
N18	C33	N21	112.6°	90.0°
C33	N18	C50	106.8°	90.0°
N18	C33	H331	123.7°	90.0°
C33	N21	C52	105.4°	90.0°
N21	C33	H331	123.7°	90.0°
C37	C34	O07	113.2°	90.0°
C34	C37	C41	103.8°	90.0°
C34	C37	O03	111.7°	90.0°
C37	C34	H341	110.7°	90.0°
C34	C37	H371	110.6°	90.0°
O07	C34	H341	112.8°	90.0°
C34	O07	H071	109.5°	90.0°
C36	C35	C38	113.7°	90.0°
C36	C35	C69	108.2°	90.0°
C35	C36	H361	109.5°	90.0°
C35	C36	H362	109.5°	90.0°
C35	C36	H363	109.4°	90.0°
C38	C35	C69	109.0°	90.0°
C35	C38	C40	103.7°	90.0°
C35	C38	C71	118.7°	90.0°
C35	C38	H381	106.4°	90.0°
C35	C69	C70	116.4°	90.0°
C35	C69	H691	107.7°	90.0°
C35	C69	H692	107.7°	90.0°
C41	C37	O03	107.3°	90.0°
C37	C41	C44	117.9°	90.0°
C37	C41	O08	102.4°	90.0°
C41	C37	H371	110.8°	90.0°
C37	C41	H411	108.0°	90.0°
C37	O03	P02	127.4°	90.0°
O03	C37	H371	112.3°	90.0°
C40	C38	C71	113.9°	90.0°
C38	C40	C43	125.3°	90.0°
C38	C40	N17	110.8°	90.0°
C40	C38	H381	106.8°	90.0°
C38	C71	C72	110.3°	90.0°
C71	C38	H381	106.6°	90.0°
C38	C71	H711	109.3°	90.0°
C38	C71	H712	109.3°	90.0°
C42	C39	C52	118.9°	90.0°
C39	C42	C45	120.6°	90.0°
C39	C42	C55	119.2°	90.0°
C42	C39	H391	120.6°	90.0°
C39	C52	C50	120.2°	90.0°
C39	C52	N21	131.3°	90.0°
C52	C39	H391	120.5°	90.0°
C43	C40	N17	123.6°	90.0°
C40	C43	C46	123.9°	90.0°
C40	C43	C74	114.8°	90.0°
C40	N17	RH01	128.8°	90.0°
C44	C41	O08	110.8°	90.0°
C41	C44	O09	111.2°	90.0°
C44	C41	H411	108.2°	90.0°
C41	C44	H442	109.0°	90.0°
C41	C44	H441	109.0°	90.0°
O08	C41	H411	109.1°	90.0°
C45	C42	C55	120.3°	90.0°
C42	C45	C47	120.9°	90.0°
C42	C45	C57	121.5°	90.0°
C42	C55	H551	109.5°	90.0°
C42	C55	H552	109.5°	90.0°
C42	C55	H553	109.5°	90.0°
C46	C43	C74	121.2°	90.0°
C43	C46	C48	126.2°	90.0°
C43	C46	N19	124.3°	90.0°
C43	C74	H742	109.5°	90.0°
C43	C74	H741	109.5°	90.0°
C43	C74	H743	109.5°	90.0°
O09	C44	H442	109.0°	90.0°
O09	C44	H441	109.0°	90.0°
C44	O09	H091	109.5°	90.0°
C47	C45	C57	117.6°	90.0°
C45	C47	C50	117.5°	90.0°
C45	C47	H471	121.2°	90.0°
C45	C57	H572	109.5°	90.0°
C45	C57	H573	109.4°	90.0°
C45	C57	H571	109.5°	90.0°
C48	C46	N19	106.0°	90.0°
C46	C48	C49	108.4°	90.0°
C46	C48	C51	101.0°	90.0°
C46	C48	C75	113.9°	90.0°
C46	N19	C53	112.2°	90.0°
C46	N19	RH01	125.5°	90.0°
C47	C50	C52	122.0°	90.0°
C47	C50	N18	131.3°	90.0°
C50	C47	H471	121.3°	90.0°
C49	C48	C51	112.7°	90.0°
C49	C48	C75	111.3°	90.0°
C48	C49	H491	109.5°	90.0°
C48	C49	H493	109.5°	90.0°
C48	C49	H492	109.5°	90.0°
C51	C48	C75	109.2°	90.0°
C48	C51	C53	100.9°	90.0°
C48	C51	C77	118.7°	90.0°
C48	C51	H511	107.6°	90.0°
C48	C75	C76	114.7°	90.0°
C48	C75	H751	108.1°	90.0°
C48	C75	H752	108.2°	90.0°
C52	C50	N18	106.7°	90.0°
C50	C52	N21	108.5°	90.0°
C53	C51	C77	112.8°	90.0°
C51	C53	C54	124.4°	90.0°
C51	C53	N19	109.9°	90.0°
C53	C51	H511	108.3°	90.0°
C51	C77	C78	116.5°	90.0°
C77	C51	H511	107.9°	90.0°
C51	C77	H771	107.7°	90.0°
C51	C77	H772	107.7°	90.0°
C54	C53	N19	125.7°	90.0°
C53	C54	C56	128.7°	90.0°
C53	C54	H541	115.6°	90.0°
C53	N19	RH01	121.6°	90.0°
C54	C56	C58	123.4°	90.0°
C54	C56	N20	124.4°	90.0°
C56	C54	H541	115.7°	90.0°
C58	C56	N20	112.2°	90.0°
C56	C58	C59	109.3°	90.0°
C56	C58	C60	110.4°	90.0°
C56	C58	C61	102.5°	90.0°
C56	N20	C62	112.3°	90.0°
C56	N20	RH01	122.6°	90.0°
C59	C58	C60	108.2°	90.0°
C59	C58	C61	108.5°	90.0°
C58	C59	H592	109.5°	90.0°
C58	C59	H591	109.4°	90.0°
C58	C59	H593	109.5°	90.0°
C60	C58	C61	117.6°	90.0°
C58	C60	H603	109.5°	90.0°
C58	C60	H601	109.4°	90.0°
C58	C60	H602	109.4°	90.0°
C58	C61	C62	103.9°	90.0°
C58	C61	C80	117.0°	90.0°
C58	C61	H611	108.1°	90.0°
C62	C61	C80	110.5°	90.0°
C61	C62	C63	124.7°	90.0°
C61	C62	N20	108.9°	90.0°
C62	C61	H611	108.5°	90.0°
C61	C80	C81	116.7°	90.0°
C80	C61	H611	108.4°	90.0°
C61	C80	H801	107.7°	90.0°
C61	C80	H802	107.6°	90.0°
C63	C62	N20	125.9°	90.0°
C62	C63	C64	125.5°	90.0°
C62	C63	C83	117.4°	90.0°
C62	N20	RH01	124.6°	90.0°
C64	C63	C83	116.2°	90.0°
C63	C64	C65	127.7°	90.0°
C63	C64	N22	120.6°	90.0°
C63	C83	H832	109.5°	90.0°
C63	C83	H831	109.5°	90.0°
C63	C83	H833	109.4°	90.0°
C65	C64	N22	110.2°	90.0°
C64	C65	C66	108.2°	90.0°
C64	C65	C67	101.4°	90.0°
C64	C65	C84	114.6°	90.0°
C64	N22	C68	111.9°	90.0°
C64	N22	RH01	132.1°	90.0°
C66	C65	C67	115.9°	90.0°
C66	C65	C84	107.5°	90.0°
C65	C66	H661	109.5°	90.0°
C65	C66	H663	109.4°	90.0°
C65	C66	H662	109.5°	90.0°
C67	C65	C84	109.4°	90.0°
C65	C67	C68	103.7°	90.0°
C65	C67	C90	117.7°	90.0°
C65	C67	H671	105.3°	90.0°
C65	C84	C85	115.0°	90.0°
C65	C84	H842	108.1°	90.0°
C65	C84	H841	108.1°	90.0°
C68	C67	C90	117.5°	90.0°
C67	C68	N22	100.5°	90.0°
C68	C67	H671	105.8°	90.0°
C67	C68	H681	108.4°	90.0°
C67	C90	C91	111.6°	90.0°
C90	C67	H671	105.7°	90.0°
C67	C90	H901	108.9°	90.0°
C67	C90	H902	108.9°	90.0°
C68	N22	RH01	114.9°	90.0°
N22	C68	H681	108.7°	90.0°
C69	C70	N23	118.6°	90.0°
C69	C70	O10	120.5°	90.0°
C70	C69	H691	107.7°	90.0°
C70	C69	H692	107.7°	90.0°
N23	C70	O10	121.0°	90.0°
C70	N23	H232	120.0°	90.0°
C70	N23	H231	120.0°	90.0°
C71	C72	C73	115.0°	90.0°
C72	C71	H711	109.3°	90.0°
C72	C71	H712	109.3°	90.0°
C71	C72	H721	108.1°	90.0°
C71	C72	H722	108.1°	90.0°
C72	C73	N24	117.1°	90.0°
C72	C73	O11	121.4°	90.0°
C73	C72	H721	108.1°	90.0°
C73	C72	H722	108.1°	90.0°
N24	C73	O11	121.5°	90.0°
C73	N24	H242	120.0°	90.0°
C73	N24	H241	120.0°	90.0°
C75	C76	N25	114.6°	90.0°
C75	C76	O12	122.5°	90.0°
C76	C75	H751	108.1°	90.0°
C76	C75	H752	108.2°	90.0°
N25	C76	O12	122.9°	90.0°
C76	N25	H252	120.0°	90.0°
C76	N25	H251	120.0°	90.0°
C77	C78	C79	118.0°	90.0°
C78	C77	H771	107.7°	90.0°
C78	C77	H772	107.7°	90.0°
C77	C78	H782	107.3°	90.0°
C77	C78	H781	107.3°	90.0°
C78	C79	N26	118.7°	90.0°
C78	C79	O13	119.8°	90.0°
C79	C78	H782	107.3°	90.0°
C79	C78	H781	107.3°	90.0°
N26	C79	O13	121.6°	90.0°
C79	N26	H262	120.0°	90.0°
C79	N26	H261	120.0°	90.0°
C80	C81	C82	115.6°	90.0°
C81	C80	H801	107.6°	90.0°
C81	C80	H802	107.6°	90.0°
C80	C81	H811	107.9°	90.0°
C80	C81	H812	107.9°	90.0°
C81	C82	N27	115.2°	90.0°
C81	C82	O14	123.3°	90.0°
C82	C81	H811	107.9°	90.0°
C82	C81	H812	108.0°	90.0°
N27	C82	O14	121.6°	90.0°
C82	N27	H271	120.0°	90.0°
C82	N27	H272	120.0°	90.0°
C84	C85	C86	110.8°	90.0°
C85	C84	H842	108.0°	90.0°
C85	C84	H841	108.1°	90.0°
C84	C85	H851	109.1°	90.0°
C84	C85	H852	109.1°	90.0°
C85	C86	N28	115.9°	90.0°
C85	C86	O15	120.5°	90.0°
C86	C85	H851	109.1°	90.0°
C86	C85	H852	109.2°	90.0°
N28	C86	O15	123.6°	90.0°
C86	N28	C87	122.6°	90.0°
C86	N28	H281	118.7°	90.0°
C88	C87	N28	111.8°	90.0°
C87	C88	C89	109.2°	90.0°
C87	C88	O04	106.9°	90.0°
C88	C87	H872	108.9°	90.0°
C88	C87	H871	108.9°	90.0°
C87	C88	H881	109.6°	90.0°
N28	C87	H872	108.9°	90.0°
N28	C87	H871	108.9°	90.0°
C87	N28	H281	118.7°	90.0°
C89	C88	O04	111.1°	90.0°
C89	C88	H881	109.8°	90.0°
C88	C89	H893	109.5°	90.0°
C88	C89	H892	109.4°	90.0°
C88	C89	H891	109.5°	90.0°
C88	O04	P02	122.6°	90.0°
O04	C88	H881	110.2°	90.0°
C90	C91	N29	118.7°	90.0°
C90	C91	O16	118.1°	90.0°
C91	C90	H901	109.0°	90.0°
C91	C90	H902	109.0°	90.0°
N29	C91	O16	123.2°	90.0°
C91	N29	H291	120.0°	90.0°
C91	N29	H292	120.0°	90.0°
N17	RH01	N19	90.0°	90.0°
N17	RH01	N20	173.2°	90.0°
N17	RH01	N22	82.7°	90.0°
N19	RH01	N20	96.0°	90.0°
N19	RH01	N22	171.8°	90.0°
N20	RH01	N22	91.1°	90.0°
O03	P02	O04	101.9°	90.0°
O03	P02	O05	109.2°	90.0°
O03	P02	O06	108.8°	90.0°
O04	P02	O05	108.7°	90.0°
O04	P02	O06	111.1°	90.0°
O05	P02	O06	116.2°	90.0°
P02	O06	H1	109.5°	90.0°
H312	C31	H311	109.5°	90.0°
H312	C31	H313	109.5°	90.0°
H311	C31	H313	109.5°	90.0°
H361	C36	H362	109.5°	90.0°
H361	C36	H363	109.4°	90.0°
H362	C36	H363	109.5°	90.0°
H442	C44	H441	109.5°	90.0°
H491	C49	H493	109.5°	90.0°
H491	C49	H492	109.5°	90.0°
H493	C49	H492	109.4°	90.0°
H551	C55	H552	109.5°	90.0°
H551	C55	H553	109.4°	90.0°
H552	C55	H553	109.5°	90.0°
H572	C57	H573	109.5°	90.0°
H572	C57	H571	109.5°	90.0°
H573	C57	H571	109.5°	90.0°
H592	C59	H591	109.5°	90.0°
H592	C59	H593	109.5°	90.0°
H591	C59	H593	109.5°	90.0°
H603	C60	H601	109.5°	90.0°
H603	C60	H602	109.5°	90.0°
H601	C60	H602	109.5°	90.0°
H661	C66	H663	109.5°	90.0°
H661	C66	H662	109.5°	90.0°
H663	C66	H662	109.5°	90.0°
H691	C69	H692	109.4°	90.0°
H711	C71	H712	109.5°	90.0°
H721	C72	H722	109.5°	90.0°
H742	C74	H741	109.5°	90.0°
H742	C74	H743	109.4°	90.0°
H741	C74	H743	109.5°	90.0°
H751	C75	H752	109.5°	90.0°
H771	C77	H772	109.5°	90.0°
H782	C78	H781	109.5°	90.0°
H801	C80	H802	109.5°	90.0°
H811	C81	H812	109.5°	90.0°
H832	C83	H831	109.5°	90.0°
H832	C83	H833	109.4°	90.0°
H831	C83	H833	109.5°	90.0°
H842	C84	H841	109.5°	90.0°
H851	C85	H852	109.5°	90.0°
H872	C87	H871	109.5°	90.0°
H893	C89	H892	109.5°	90.0°
H893	C89	H891	109.5°	90.0°
H892	C89	H891	109.5°	90.0°
H901	C90	H902	109.5°	90.0°
H232	N23	H231	120.0°	90.0°
H242	N24	H241	120.0°	90.0°
H252	N25	H251	120.0°	90.0°
H262	N26	H261	120.0°	90.0°
H271	N27	H272	120.0°	90.0°
H291	N29	H292	120.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C34	C30	N18	O08	119.2°	90.0°
C34	C30	N18	H301	118.2°	90.0°
C34	C30	O08	H301	117.5°	90.0°
C34	C30	N18	C33	65.7°	90.0°
C30	C34	C37	O07	114.4°	90.0°
C30	C34	C37	H341	117.8°	90.0°
C30	C34	O07	H341	122.0°	90.0°
C30	C34	C37	C41	31.0°	90.0°
C30	C34	C37	O03	84.3°	90.0°
C34	C30	O08	C41	7.2°	90.0°
C34	C30	N18	C50	112.0°	90.0°
C30	C34	C37	H371	149.8°	90.0°
C30	C34	O07	H071	180.0°	90.0°
N18	C30	O08	H301	122.1°	90.0°
C30	N18	C33	C50	178.0°	90.0°
C30	N18	C33	N21	178.5°	90.0°
N18	C30	C34	C37	107.0°	90.0°
N18	C30	C34	O07	12.0°	90.0°
N18	C30	O08	C41	127.5°	90.0°
C30	N18	C50	C47	1.9°	90.0°
C30	N18	C50	C52	178.7°	90.0°
C30	N18	C33	H331	1.5°	90.0°
N18	C30	C34	H341	135.3°	90.0°
O08	C30	N18	C33	53.5°	90.0°
O08	C30	C34	C37	15.6°	90.0°
O08	C30	C34	O07	134.6°	90.0°
C30	O08	C41	C37	27.0°	90.0°
C30	O08	C41	C44	99.7°	90.0°
O08	C30	N18	C50	128.8°	90.0°
O08	C30	C34	H341	102.2°	90.0°
C30	O08	C41	H411	141.3°	90.0°
C31	C32	C35	C68	130.8°	90.0°
C31	C32	C35	N17	115.0°	90.0°
C31	C32	C68	N17	114.4°	90.0°
C31	C32	C35	C36	35.6°	90.0°
C31	C32	C35	C38	87.2°	90.0°
C31	C32	C35	C69	157.4°	90.0°
C31	C32	N17	C40	97.9°	90.0°
C31	C32	C68	C67	36.1°	90.0°
C31	C32	C68	N22	79.9°	90.0°
C31	C32	N17	RH01	86.8°	90.0°
C32	C31	H312	H311	120.0°	90.0°
C32	C31	H312	H313	120.0°	90.0°
C32	C31	H311	H313	120.0°	90.0°
C31	C32	C68	H681	162.0°	90.0°
C35	C32	C68	N17	112.3°	90.0°
C32	C35	C36	C38	115.9°	90.0°
C32	C35	C36	C69	122.8°	90.0°
C32	C35	C38	C69	116.3°	90.0°
C32	C35	C38	C40	24.6°	90.0°
C32	C35	C38	C71	102.8°	90.0°
C35	C32	N17	C40	22.8°	90.0°
C35	C32	C68	C67	97.2°	90.0°
C35	C32	C68	N22	146.8°	90.0°
C32	C35	C69	C70	171.5°	90.0°
C35	C32	N17	RH01	152.5°	90.0°
C35	C32	C31	H312	180.0°	90.0°
C35	C32	C31	H311	60.0°	90.0°
C35	C32	C31	H313	60.0°	90.0°
C32	C35	C36	H361	180.0°	90.0°
C32	C35	C36	H362	60.0°	90.0°
C32	C35	C36	H363	60.0°	90.0°
C32	C35	C38	H381	137.1°	90.0°
C35	C32	C68	H681	28.7°	90.0°
C32	C35	C69	H691	67.5°	90.0°
C32	C35	C69	H692	50.5°	90.0°
C68	C32	C35	C36	95.2°	90.0°
C68	C32	C35	C38	142.1°	90.0°
C68	C32	C35	C69	26.6°	90.0°
C68	C32	N17	C40	146.1°	90.0°
C32	C68	N22	C64	162.8°	90.0°
C32	C68	C67	C65	153.4°	90.0°
C32	C68	C67	N22	120.3°	90.0°
C32	C68	C67	H681	125.8°	90.0°
C32	C68	C67	C90	74.8°	90.0°
C32	C68	N22	H681	117.6°	90.0°
C68	C32	N17	RH01	29.2°	90.0°
C32	C68	N22	RH01	27.9°	90.0°
C68	C32	C31	H312	45.2°	90.0°
C68	C32	C31	H311	74.8°	90.0°
C68	C32	C31	H313	165.2°	90.0°
C32	C68	C67	H671	42.9°	90.0°
N17	C32	C35	C36	150.6°	90.0°
N17	C32	C35	C38	27.8°	90.0°
N17	C32	C35	C69	87.6°	90.0°
C32	N17	C40	C38	6.9°	90.0°
C32	N17	C40	C43	167.1°	90.0°
C32	N17	C40	RH01	174.6°	90.0°
N17	C32	C68	C67	150.5°	90.0°
N17	C32	C68	N22	34.5°	90.0°
C32	N17	RH01	N19	163.8°	90.0°
C32	N17	RH01	N20	12.0°	90.0°
C32	N17	RH01	N22	12.3°	90.0°
N17	C32	C31	H312	68.1°	90.0°
N17	C32	C31	H311	171.9°	90.0°
N17	C32	C31	H313	52.0°	90.0°
N17	C32	C68	H681	83.6°	90.0°
N18	C33	N21	H331	180.0°	90.0°
C33	N18	C50	C47	179.9°	90.0°
C33	N18	C50	C52	0.6°	90.0°
N18	C33	N21	C52	0.2°	90.0°
C33	N18	C30	H301	176.1°	90.0°
C33	N21	C52	C39	179.9°	90.0°
C33	N21	C52	C50	0.2°	90.0°
N21	C33	N18	C50	0.5°	90.0°
C37	C34	O07	H341	126.7°	90.0°
C34	C37	C41	O03	118.4°	90.0°
C34	C37	C41	H371	118.7°	90.0°
C34	C37	O03	H371	124.9°	90.0°
C34	C37	C41	C44	86.4°	90.0°
C34	C37	C41	O08	35.5°	90.0°
C34	C37	O03	P02	114.6°	90.0°
C37	C34	C30	H301	134.3°	90.0°
C34	C37	C41	H411	150.6°	90.0°
C37	C34	O07	H071	68.8°	90.0°
O07	C34	C37	C41	145.4°	90.0°
O07	C34	C37	O03	30.1°	90.0°
O07	C34	C30	H301	106.7°	90.0°
O07	C34	C37	H371	95.8°	90.0°
C36	C35	C38	C69	120.8°	90.0°
C36	C35	C38	C40	147.5°	90.0°
C36	C35	C38	C71	20.0°	90.0°
C36	C35	C69	C70	63.4°	90.0°
C35	C36	H361	H362	120.0°	90.0°
C35	C36	H361	H363	120.0°	90.0°
C35	C36	H362	H363	120.0°	90.0°
C36	C35	C38	H381	100.0°	90.0°
C36	C35	C69	H691	57.6°	90.0°
C36	C35	C69	H692	175.6°	90.0°
C35	C38	C40	C71	130.4°	90.0°
C35	C38	C40	H381	112.1°	90.0°
C35	C38	C71	H381	119.9°	90.0°
C35	C38	C40	C43	173.5°	90.0°
C35	C38	C40	N17	12.5°	90.0°
C38	C35	C69	C70	60.8°	90.0°
C35	C38	C71	C72	93.7°	90.0°
C38	C35	C36	H361	64.1°	90.0°
C38	C35	C36	H362	55.9°	90.0°
C38	C35	C36	H363	175.9°	90.0°
C38	C35	C69	H691	178.2°	90.0°
C38	C35	C69	H692	60.3°	90.0°
C35	C38	C71	H711	146.2°	90.0°
C35	C38	C71	H712	26.4°	90.0°
C69	C35	C38	C40	91.7°	90.0°
C69	C35	C38	C71	140.9°	90.0°
C35	C69	C70	H691	121.0°	90.0°
C35	C69	C70	H692	121.0°	90.0°
C35	C69	C70	N23	94.9°	90.0°
C35	C69	C70	O10	85.6°	90.0°
C69	C35	C36	H361	57.2°	90.0°
C69	C35	C36	H362	177.2°	90.0°
C69	C35	C36	H363	62.8°	90.0°
C69	C35	C38	H381	20.8°	90.0°
C35	C69	H691	H692	116.9°	90.0°
C41	C37	O03	H371	122.0°	90.0°
C37	C41	C44	O08	117.5°	90.0°
C37	C41	C44	H411	122.9°	90.0°
C37	C41	O08	H411	114.3°	90.0°
C37	C41	C44	O09	19.4°	90.0°
C41	C37	O03	P02	132.3°	90.0°
C41	C37	C34	H341	86.8°	90.0°
C37	C41	C44	H442	100.9°	90.0°
C37	C41	C44	H441	139.7°	90.0°
O03	C37	C41	C44	155.1°	90.0°
O03	C37	C41	O08	83.0°	90.0°
C37	O03	P02	O04	12.6°	90.0°
C37	O03	P02	O05	127.5°	90.0°
C37	O03	P02	O06	104.8°	90.0°
O03	C37	C34	H341	157.9°	90.0°
O03	C37	C41	H411	32.2°	90.0°
C40	C38	C71	H381	117.6°	90.0°
C38	C40	C43	N17	173.2°	90.0°
C38	C40	C43	C46	171.6°	90.0°
C38	C40	C43	C74	12.7°	90.0°
C40	C38	C71	C72	143.8°	90.0°
C38	C40	N17	RH01	167.7°	90.0°
C40	C38	C71	H711	23.7°	90.0°
C40	C38	C71	H712	96.1°	90.0°
C71	C38	C40	C43	56.0°	90.0°
C71	C38	C40	N17	117.9°	90.0°
C38	C71	C72	H711	120.1°	90.0°
C38	C71	C72	H712	120.1°	90.0°
C38	C71	C72	C73	170.1°	90.0°
C38	C71	H711	H712	119.7°	90.0°
C38	C71	C72	H721	69.1°	90.0°
C38	C71	C72	H722	49.3°	90.0°
C42	C39	C52	H391	180.0°	90.0°
C39	C42	C45	C55	179.8°	90.0°
C39	C42	C45	C47	0.2°	90.0°
C39	C42	C45	C57	179.9°	90.0°
C42	C39	C52	C50	0.1°	90.0°
C42	C39	C52	N21	180.0°	90.0°
C39	C42	C55	H551	90.1°	90.0°
C39	C42	C55	H552	149.9°	90.0°
C39	C42	C55	H553	29.9°	90.0°
C52	C39	C42	C45	0.2°	90.0°
C52	C39	C42	C55	180.0°	90.0°
C39	C52	C50	C47	0.1°	90.0°
C39	C52	C50	N21	179.9°	90.0°
C39	C52	C50	N18	179.6°	90.0°
C40	C43	C46	C74	175.4°	90.0°
C40	C43	C46	C48	166.1°	90.0°
C40	C43	C46	N19	10.3°	90.0°
C43	C40	N17	RH01	18.3°	90.0°
C43	C40	C38	H381	61.4°	90.0°
C40	C43	C74	H742	180.0°	90.0°
C40	C43	C74	H741	60.0°	90.0°
C40	C43	C74	H743	60.0°	90.0°
N17	C40	C43	C46	1.6°	90.0°
N17	C40	C43	C74	174.1°	90.0°
C40	N17	RH01	N19	21.8°	90.0°
C40	N17	RH01	N20	173.5°	90.0°
C40	N17	RH01	N22	162.1°	90.0°
N17	C40	C38	H381	124.7°	90.0°
C44	C41	O08	H411	119.1°	90.0°
C41	C44	O09	H442	120.3°	90.0°
C41	C44	O09	H441	120.3°	90.0°
C44	C41	C37	H371	32.2°	90.0°
C41	C44	H442	H441	119.2°	90.0°
C41	C44	O09	H091	180.0°	90.0°
O08	C41	C44	O09	136.9°	90.0°
C41	O08	C30	H301	110.4°	90.0°
O08	C41	C37	H371	154.1°	90.0°
O08	C41	C44	H442	16.6°	90.0°
O08	C41	C44	H441	102.8°	90.0°
C42	C45	C47	C57	179.7°	90.0°
C42	C45	C47	C50	0.2°	90.0°
C45	C42	C39	H391	179.9°	90.0°
C42	C45	C47	H471	179.8°	90.0°
C45	C42	C55	H551	90.1°	90.0°
C45	C42	C55	H552	29.9°	90.0°
C45	C42	C55	H553	149.9°	90.0°
C42	C45	C57	H572	89.8°	90.0°
C42	C45	C57	H573	150.1°	90.0°
C42	C45	C57	H571	30.2°	90.0°
C55	C42	C45	C47	180.0°	90.0°
C55	C42	C45	C57	0.2°	90.0°
C55	C42	C39	H391	0.0°	90.0°
C42	C55	H551	H552	120.0°	90.0°
C42	C55	H551	H553	120.0°	90.0°
C42	C55	H552	H553	120.0°	90.0°
C43	C46	C48	N19	159.3°	90.0°
C43	C46	C48	C49	56.0°	90.0°
C43	C46	C48	C51	174.6°	90.0°
C43	C46	C48	C75	68.4°	90.0°
C43	C46	N19	C53	170.7°	90.0°
C43	C46	N19	RH01	0.6°	90.0°
C46	C43	C74	H742	4.2°	90.0°
C46	C43	C74	H741	124.2°	90.0°
C46	C43	C74	H743	115.8°	90.0°
C74	C43	C46	C48	9.3°	90.0°
C74	C43	C46	N19	165.1°	90.0°
C43	C74	H742	H741	120.0°	90.0°
C43	C74	H742	H743	120.0°	90.0°
C43	C74	H741	H743	120.0°	90.0°
O09	C44	C41	H411	103.5°	90.0°
O09	C44	H442	H441	119.2°	90.0°
C45	C47	C50	H471	180.0°	90.0°
C45	C47	C50	C52	0.1°	90.0°
C45	C47	C50	N18	179.5°	90.0°
C47	C45	C57	H572	89.9°	90.0°
C47	C45	C57	H573	30.1°	90.0°
C47	C45	C57	H571	150.1°	90.0°
C57	C45	C47	C50	179.9°	90.0°
C57	C45	C47	H471	0.1°	90.0°
C45	C57	H572	H573	120.0°	90.0°
C45	C57	H572	H571	120.0°	90.0°
C45	C57	H573	H571	120.0°	90.0°
C46	C48	C49	C51	110.9°	90.0°
C46	C48	C49	C75	126.0°	90.0°
C46	C48	C51	C75	120.3°	90.0°
C46	C48	C51	C53	30.2°	90.0°
C46	C48	C51	C77	93.6°	90.0°
C48	C46	N19	C53	10.9°	90.0°
C46	C48	C75	C76	171.2°	90.0°
C48	C46	N19	RH01	159.3°	90.0°
C46	C48	C49	H491	180.0°	90.0°
C46	C48	C49	H493	60.0°	90.0°
C46	C48	C49	H492	60.0°	90.0°
C46	C48	C51	H511	143.5°	90.0°
C46	C48	C75	H751	50.5°	90.0°
C46	C48	C75	H752	68.0°	90.0°
N19	C46	C48	C49	144.6°	90.0°
N19	C46	C48	C51	26.0°	90.0°
N19	C46	C48	C75	90.9°	90.0°
C46	N19	C53	C51	10.3°	90.0°
C46	N19	C53	C54	167.1°	90.0°
C46	N19	C53	RH01	170.6°	90.0°
C46	N19	RH01	N17	12.7°	90.0°
C46	N19	RH01	N20	170.6°	90.0°
C46	N19	RH01	N22	40.7°	90.0°
C47	C50	C52	N18	179.5°	90.0°
C47	C50	C52	N21	180.0°	90.0°
C49	C48	C51	C75	124.3°	90.0°
C49	C48	C51	C53	145.6°	90.0°
C49	C48	C51	C77	21.8°	90.0°
C49	C48	C75	C76	48.4°	90.0°
C48	C49	H491	H493	120.0°	90.0°
C48	C49	H491	H492	120.0°	90.0°
C48	C49	H493	H492	120.0°	90.0°
C49	C48	C51	H511	101.0°	90.0°
C49	C48	C75	H751	72.4°	90.0°
C49	C48	C75	H752	169.2°	90.0°
C48	C51	C53	C77	127.7°	90.0°
C48	C51	C53	H511	112.9°	90.0°
C48	C51	C77	H511	122.7°	90.0°
C48	C51	C53	C54	151.2°	90.0°
C48	C51	C53	N19	26.3°	90.0°
C51	C48	C75	C76	76.6°	90.0°
C48	C51	C77	C78	175.6°	90.0°
C51	C48	C49	H491	69.1°	90.0°
C51	C48	C49	H493	51.0°	90.0°
C51	C48	C49	H492	170.9°	90.0°
C51	C48	C75	H751	162.6°	90.0°
C51	C48	C75	H752	44.1°	90.0°
C48	C51	C77	H771	54.5°	90.0°
C48	C51	C77	H772	63.4°	90.0°
C75	C48	C51	C53	90.2°	90.0°
C75	C48	C51	C77	146.1°	90.0°
C48	C75	C76	H751	120.8°	90.0°
C48	C75	C76	H752	120.8°	90.0°
C48	C75	C76	N25	78.1°	90.0°
C48	C75	C76	O12	102.2°	90.0°
C75	C48	C49	H491	54.0°	90.0°
C75	C48	C49	H493	174.1°	90.0°
C75	C48	C49	H492	66.0°	90.0°
C75	C48	C51	H511	23.2°	90.0°
C48	C75	H751	H752	117.6°	90.0°
C50	C52	C39	H391	179.9°	90.0°
C52	C50	C47	H471	179.9°	90.0°
N18	C50	C52	N21	0.5°	90.0°
C50	N18	C30	H301	6.2°	90.0°
C50	N18	C33	H331	179.5°	90.0°
N18	C50	C47	H471	0.5°	90.0°
C53	C51	C77	H511	119.6°	90.0°
C51	C53	C54	N19	177.0°	90.0°
C51	C53	C54	C56	178.5°	90.0°
C53	C51	C77	C78	57.9°	90.0°
C51	C53	N19	RH01	179.1°	90.0°
C51	C53	C54	H541	1.6°	90.0°
C53	C51	C77	H771	63.1°	90.0°
C53	C51	C77	H772	178.9°	90.0°
C77	C51	C53	C54	81.1°	90.0°
C77	C51	C53	N19	101.5°	90.0°
C51	C77	C78	H771	121.0°	90.0°
C51	C77	C78	H772	121.0°	90.0°
C51	C77	C78	C79	178.1°	90.0°
C51	C77	H771	H772	116.8°	90.0°
C51	C77	C78	H782	56.9°	90.0°
C51	C77	C78	H781	60.7°	90.0°
C52	N21	C33	H331	179.8°	90.0°
N21	C52	C39	H391	0.0°	90.0°
C53	C54	C56	H541	180.0°	90.0°
C53	C54	C56	C58	173.7°	90.0°
C53	C54	C56	N20	8.3°	90.0°
C54	C53	N19	RH01	3.5°	90.0°
C54	C53	C51	H511	38.3°	90.0°
N19	C53	C54	C56	1.4°	90.0°
C53	N19	RH01	N17	178.0°	90.0°
C53	N19	RH01	N20	1.2°	90.0°
C53	N19	RH01	N22	150.0°	90.0°
N19	C53	C51	H511	139.1°	90.0°
N19	C53	C54	H541	178.6°	90.0°
C54	C56	C58	N20	178.2°	90.0°
C54	C56	C58	C59	71.4°	90.0°
C54	C56	C58	C60	47.5°	90.0°
C54	C56	C58	C61	173.6°	90.0°
C54	C56	N20	C62	174.0°	90.0°
C54	C56	N20	RH01	13.7°	90.0°
C56	C58	C59	C60	120.3°	90.0°
C56	C58	C59	C61	111.0°	90.0°
C56	C58	C60	C61	117.1°	90.0°
C56	C58	C61	C62	3.3°	90.0°
C56	C58	C61	C80	118.8°	90.0°
C58	C56	N20	C62	4.2°	90.0°
C58	C56	N20	RH01	168.1°	90.0°
C58	C56	C54	H541	6.3°	90.0°
C56	C58	C59	H592	180.0°	90.0°
C56	C58	C59	H591	60.0°	90.0°
C56	C58	C59	H593	60.0°	90.0°
C56	C58	C60	H603	180.0°	90.0°
C56	C58	C60	H601	60.0°	90.0°
C56	C58	C60	H602	60.0°	90.0°
C56	C58	C61	H611	118.4°	90.0°
N20	C56	C58	C59	110.4°	90.0°
N20	C56	C58	C60	130.7°	90.0°
N20	C56	C58	C61	4.6°	90.0°
C56	N20	C62	C61	1.7°	90.0°
C56	N20	C62	C63	173.2°	90.0°
C56	N20	C62	RH01	172.1°	90.0°
C56	N20	RH01	N17	160.9°	90.0°
C56	N20	RH01	N19	9.4°	90.0°
C56	N20	RH01	N22	174.9°	90.0°
N20	C56	C54	H541	171.6°	90.0°
C59	C58	C60	C61	123.3°	90.0°
C59	C58	C61	C62	112.3°	90.0°
C59	C58	C61	C80	125.6°	90.0°
C58	C59	H592	H591	120.0°	90.0°
C58	C59	H592	H593	120.0°	90.0°
C58	C59	H591	H593	120.0°	90.0°
C59	C58	C60	H603	60.4°	90.0°
C59	C58	C60	H601	179.6°	90.0°
C59	C58	C60	H602	59.6°	90.0°
C59	C58	C61	H611	2.9°	90.0°
C60	C58	C61	C62	124.6°	90.0°
C60	C58	C61	C80	2.5°	90.0°
C60	C58	C59	H592	59.7°	90.0°
C60	C58	C59	H591	60.3°	90.0°
C60	C58	C59	H593	179.7°	90.0°
C58	C60	H603	H601	120.0°	90.0°
C58	C60	H603	H602	120.0°	90.0°
C58	C60	H601	H602	120.0°	90.0°
C60	C58	C61	H611	120.3°	90.0°
C58	C61	C62	C80	126.4°	90.0°
C58	C61	C62	H611	114.9°	90.0°
C58	C61	C80	H611	122.6°	90.0°
C58	C61	C62	C63	170.4°	90.0°
C58	C61	C62	N20	1.2°	90.0°
C58	C61	C80	C81	77.8°	90.0°
C61	C58	C59	H592	69.0°	90.0°
C61	C58	C59	H591	171.0°	90.0°
C61	C58	C59	H593	51.0°	90.0°
C61	C58	C60	H603	62.9°	90.0°
C61	C58	C60	H601	57.1°	90.0°
C61	C58	C60	H602	177.1°	90.0°
C58	C61	C80	H801	43.2°	90.0°
C58	C61	C80	H802	161.2°	90.0°
C62	C61	C80	H611	118.8°	90.0°
C61	C62	C63	N20	170.2°	90.0°
C61	C62	C63	C64	171.0°	90.0°
C61	C62	C63	C83	2.9°	90.0°
C62	C61	C80	C81	40.9°	90.0°
C61	C62	N20	RH01	170.4°	90.0°
C62	C61	C80	H801	161.9°	90.0°
C62	C61	C80	H802	80.2°	90.0°
C80	C61	C62	C63	63.3°	90.0°
C80	C61	C62	N20	125.1°	90.0°
C61	C80	C81	H801	121.0°	90.0°
C61	C80	C81	H802	121.0°	90.0°
C61	C80	C81	C82	167.5°	90.0°
C61	C80	H801	H802	116.7°	90.0°
C61	C80	C81	H811	71.6°	90.0°
C61	C80	C81	H812	46.6°	90.0°
C62	C63	C64	C83	168.2°	90.0°
C62	C63	C64	C65	166.4°	90.0°
C62	C63	C64	N22	1.8°	90.0°
C63	C62	N20	RH01	1.1°	90.0°
C63	C62	C61	H611	55.5°	90.0°
C62	C63	C83	H832	180.0°	90.0°
C62	C63	C83	H831	60.0°	90.0°
C62	C63	C83	H833	60.0°	90.0°
N20	C62	C63	C64	0.7°	90.0°
N20	C62	C63	C83	167.3°	90.0°
C62	N20	RH01	N17	27.7°	90.0°
C62	N20	RH01	N19	179.3°	90.0°
C62	N20	RH01	N22	3.5°	90.0°
N20	C62	C61	H611	116.1°	90.0°
C63	C64	C65	N22	165.8°	90.0°
C63	C64	C65	C66	75.0°	90.0°
C63	C64	C65	C67	162.7°	90.0°
C63	C64	C65	C84	44.9°	90.0°
C63	C64	N22	C68	173.4°	90.0°
C63	C64	N22	RH01	6.6°	90.0°
C64	C63	C83	H832	10.8°	90.0°
C64	C63	C83	H831	130.8°	90.0°
C64	C63	C83	H833	109.2°	90.0°
C83	C63	C64	C65	25.4°	90.0°
C83	C63	C64	N22	170.0°	90.0°
C63	C83	H832	H831	120.0°	90.0°
C63	C83	H832	H833	120.0°	90.0°
C63	C83	H831	H833	120.0°	90.0°
C64	C65	C66	C67	113.0°	90.0°
C64	C65	C66	C84	124.3°	90.0°
C64	C65	C67	C84	121.4°	90.0°
C64	C65	C67	C68	23.3°	90.0°
C64	C65	C67	C90	154.9°	90.0°
C65	C64	N22	C68	19.6°	90.0°
C64	C65	C84	C85	54.7°	90.0°
C65	C64	N22	RH01	173.6°	90.0°
C64	C65	C66	H661	180.0°	90.0°
C64	C65	C66	H663	60.0°	90.0°
C64	C65	C66	H662	60.0°	90.0°
C64	C65	C67	H671	87.6°	90.0°
C64	C65	C84	H842	66.1°	90.0°
C64	C65	C84	H841	175.4°	90.0°
N22	C64	C65	C66	119.2°	90.0°
N22	C64	C65	C67	3.2°	90.0°
N22	C64	C65	C84	120.9°	90.0°
C64	N22	C68	C67	34.1°	90.0°
C64	N22	C68	RH01	169.3°	90.0°
C64	N22	RH01	N17	176.2°	90.0°
C64	N22	RH01	N19	155.5°	90.0°
C64	N22	RH01	N20	6.6°	90.0°
C64	N22	C68	H681	79.6°	90.0°
C66	C65	C67	C84	121.7°	90.0°
C66	C65	C67	C68	93.6°	90.0°
C66	C65	C67	C90	38.0°	90.0°
C66	C65	C84	C85	175.0°	90.0°
C65	C66	H661	H663	120.0°	90.0°
C65	C66	H661	H662	120.0°	90.0°
C65	C66	H663	H662	120.0°	90.0°
C66	C65	C67	H671	155.5°	90.0°
C66	C65	C84	H842	54.2°	90.0°
C66	C65	C84	H841	64.2°	90.0°
C65	C67	C68	C90	131.8°	90.0°
C65	C67	C68	H671	110.5°	90.0°
C65	C67	C90	H671	117.2°	90.0°
C65	C67	C68	N22	33.1°	90.0°
C67	C65	C84	C85	58.4°	90.0°
C65	C67	C90	C91	72.1°	90.0°
C67	C65	C66	H661	67.0°	90.0°
C67	C65	C66	H663	173.0°	90.0°
C67	C65	C66	H662	53.0°	90.0°
C65	C67	C68	H681	80.8°	90.0°
C67	C65	C84	H842	179.2°	90.0°
C67	C65	C84	H841	62.4°	90.0°
C65	C67	C90	H901	48.2°	90.0°
C65	C67	C90	H902	167.6°	90.0°
C84	C65	C67	C68	144.7°	90.0°
C84	C65	C67	C90	83.6°	90.0°
C65	C84	C85	H842	120.8°	90.0°
C65	C84	C85	H841	120.8°	90.0°
C65	C84	C85	C86	156.4°	90.0°
C84	C65	C66	H661	55.7°	90.0°
C84	C65	C66	H663	64.3°	90.0°
C84	C65	C66	H662	175.7°	90.0°
C84	C65	C67	H671	33.8°	90.0°
C65	C84	H842	H841	117.5°	90.0°
C65	C84	C85	H851	83.4°	90.0°
C65	C84	C85	H852	36.2°	90.0°
C68	C67	C90	H671	117.7°	90.0°
C67	C68	N22	H681	113.7°	90.0°
C68	C67	C90	C91	162.8°	90.0°
C67	C68	N22	RH01	156.7°	90.0°
C68	C67	C90	H901	76.9°	90.0°
C68	C67	C90	H902	42.5°	90.0°
C90	C67	C68	N22	164.9°	90.0°
C67	C90	C91	H901	120.3°	90.0°
C67	C90	C91	H902	120.3°	90.0°
C67	C90	C91	N29	127.9°	90.0°
C67	C90	C91	O16	52.5°	90.0°
C90	C67	C68	H681	51.0°	90.0°
C67	C90	H901	H902	119.0°	90.0°
C68	N22	RH01	N17	9.6°	90.0°
C68	N22	RH01	N19	37.9°	90.0°
C68	N22	RH01	N20	173.2°	90.0°
N22	C68	C67	H671	77.4°	90.0°
C69	C70	N23	O10	179.5°	90.0°
C70	C69	H691	H692	116.8°	90.0°
C69	C70	N23	H232	179.5°	90.0°
C69	C70	N23	H231	0.5°	90.0°
N23	C70	C69	H691	144.1°	90.0°
N23	C70	C69	H692	26.1°	90.0°
C70	N23	H232	H231	180.0°	90.0°
O10	C70	C69	H691	35.5°	90.0°
O10	C70	C69	H692	153.4°	90.0°
O10	C70	N23	H232	0.0°	90.0°
O10	C70	N23	H231	180.0°	90.0°
C71	C72	C73	H721	120.8°	90.0°
C71	C72	C73	H722	120.8°	90.0°
C71	C72	C73	N24	147.9°	90.0°
C71	C72	C73	O11	31.3°	90.0°
C72	C71	C38	H381	26.3°	90.0°
C72	C71	H711	H712	119.6°	90.0°
C71	C72	H721	H722	117.5°	90.0°
C72	C73	N24	O11	179.2°	90.0°
C73	C72	C71	H711	49.9°	90.0°
C73	C72	C71	H712	69.8°	90.0°
C73	C72	H721	H722	117.5°	90.0°
C72	C73	N24	H242	179.2°	90.0°
C72	C73	N24	H241	0.8°	90.0°
N24	C73	C72	H721	27.1°	90.0°
N24	C73	C72	H722	91.3°	90.0°
C73	N24	H242	H241	180.0°	90.0°
O11	C73	C72	H721	152.1°	90.0°
O11	C73	C72	H722	89.5°	90.0°
O11	C73	N24	H242	0.0°	90.0°
O11	C73	N24	H241	180.0°	90.0°
C75	C76	N25	O12	179.6°	90.0°
C76	C75	H751	H752	117.6°	90.0°
C75	C76	N25	H252	179.6°	90.0°
C75	C76	N25	H251	0.3°	90.0°
N25	C76	C75	H751	161.1°	90.0°
N25	C76	C75	H752	42.7°	90.0°
C76	N25	H252	H251	180.0°	90.0°
O12	C76	C75	H751	18.5°	90.0°
O12	C76	C75	H752	137.0°	90.0°
O12	C76	N25	H252	0.0°	90.0°
O12	C76	N25	H251	180.0°	90.0°
C77	C78	C79	H782	121.2°	90.0°
C77	C78	C79	H781	121.2°	90.0°
C77	C78	C79	N26	36.0°	90.0°
C77	C78	C79	O13	145.0°	90.0°
C78	C77	C51	H511	61.7°	90.0°
C78	C77	H771	H772	116.8°	90.0°
C77	C78	H782	H781	116.1°	90.0°
C78	C79	N26	O13	179.1°	90.0°
C79	C78	C77	H771	60.9°	90.0°
C79	C78	C77	H772	57.1°	90.0°
C79	C78	H782	H781	116.2°	90.0°
C78	C79	N26	H262	179.0°	90.0°
C78	C79	N26	H261	0.9°	90.0°
N26	C79	C78	H782	157.2°	90.0°
N26	C79	C78	H781	85.2°	90.0°
C79	N26	H262	H261	180.0°	90.0°
O13	C79	C78	H782	23.7°	90.0°
O13	C79	C78	H781	93.8°	90.0°
O13	C79	N26	H262	0.0°	90.0°
O13	C79	N26	H261	180.0°	90.0°
C80	C81	C82	H811	120.9°	90.0°
C80	C81	C82	H812	120.9°	90.0°
C80	C81	C82	N27	53.7°	90.0°
C80	C81	C82	O14	126.0°	90.0°
C81	C80	C61	H611	159.7°	90.0°
C81	C80	H801	H802	116.7°	90.0°
C80	C81	H811	H812	117.2°	90.0°
C81	C82	N27	O14	179.7°	90.0°
C82	C81	C80	H801	46.5°	90.0°
C82	C81	C80	H802	71.4°	90.0°
C82	C81	H811	H812	117.3°	90.0°
C81	C82	N27	H271	179.8°	90.0°
C81	C82	N27	H272	0.3°	90.0°
N27	C82	C81	H811	174.6°	90.0°
N27	C82	C81	H812	67.1°	90.0°
C82	N27	H271	H272	180.0°	90.0°
O14	C82	C81	H811	5.1°	90.0°
O14	C82	C81	H812	113.1°	90.0°
O14	C82	N27	H271	0.0°	90.0°
O14	C82	N27	H272	180.0°	90.0°
C84	C85	C86	H851	120.2°	90.0°
C84	C85	C86	H852	120.2°	90.0°
C84	C85	C86	N28	97.1°	90.0°
C84	C85	C86	O15	83.2°	90.0°
C85	C84	H842	H841	117.5°	90.0°
C84	C85	H851	H852	119.4°	90.0°
C85	C86	N28	O15	179.6°	90.0°
C85	C86	N28	C87	153.5°	90.0°
C86	C85	C84	H842	35.6°	90.0°
C86	C85	C84	H841	82.8°	90.0°
C86	C85	H851	H852	119.4°	90.0°
C85	C86	N28	H281	26.6°	90.0°
C86	N28	C87	C88	135.9°	90.0°
C86	N28	C87	H281	180.0°	90.0°
N28	C86	C85	H851	23.0°	90.0°
N28	C86	C85	H852	142.7°	90.0°
C86	N28	C87	H872	15.6°	90.0°
C86	N28	C87	H871	103.7°	90.0°
O15	C86	N28	C87	26.2°	90.0°
O15	C86	C85	H851	156.6°	90.0°
O15	C86	C85	H852	37.0°	90.0°
O15	C86	N28	H281	153.8°	90.0°
C88	C87	N28	H872	120.4°	90.0°
C88	C87	N28	H871	120.3°	90.0°
C87	C88	C89	O04	117.7°	90.0°
C87	C88	C89	H881	120.1°	90.0°
C87	C88	O04	H881	119.0°	90.0°
C87	C88	O04	P02	164.4°	90.0°
C88	C87	H872	H871	118.9°	90.0°
C87	C88	C89	H893	180.0°	90.0°
C87	C88	C89	H892	60.0°	90.0°
C87	C88	C89	H891	60.0°	90.0°
C88	C87	N28	H281	44.1°	90.0°
N28	C87	C88	C89	56.5°	90.0°
N28	C87	C88	O04	63.8°	90.0°
N28	C87	H872	H871	118.9°	90.0°
N28	C87	C88	H881	176.8°	90.0°
C89	C88	O04	H881	121.9°	90.0°
C89	C88	O04	P02	76.5°	90.0°
C89	C88	C87	H872	63.9°	90.0°
C89	C88	C87	H871	176.9°	90.0°
C88	C89	H893	H892	120.0°	90.0°
C88	C89	H893	H891	120.0°	90.0°
C88	C89	H892	H891	120.0°	90.0°
C88	O04	P02	O03	69.1°	90.0°
C88	O04	P02	O05	46.2°	90.0°
C88	O04	P02	O06	175.3°	90.0°
O04	C88	C87	H872	175.9°	90.0°
O04	C88	C87	H871	56.6°	90.0°
O04	C88	C89	H893	62.3°	90.0°
O04	C88	C89	H892	177.6°	90.0°
O04	C88	C89	H891	57.6°	90.0°
C90	C91	N29	O16	179.5°	90.0°
C91	C90	C67	H671	45.1°	90.0°
C91	C90	H901	H902	119.1°	90.0°
C90	C91	N29	H291	179.5°	90.0°
C90	C91	N29	H292	0.4°	90.0°
N29	C91	C90	H901	7.6°	90.0°
N29	C91	C90	H902	111.8°	90.0°
C91	N29	H291	H292	180.0°	90.0°
O16	C91	C90	H901	172.8°	90.0°
O16	C91	C90	H902	67.8°	90.0°
O16	C91	N29	H291	0.0°	90.0°
O16	C91	N29	H292	180.0°	90.0°
N17	RH01	N19	N20	176.8°	90.0°
N17	RH01	N19	N22	28.0°	90.0°
N17	RH01	N20	N22	24.2°	90.0°
N19	RH01	N20	N22	175.7°	90.0°
RH01	N22	C68	H681	89.7°	90.0°
O03	P02	O04	O05	115.2°	90.0°
O03	P02	O04	O06	115.7°	90.0°
O03	P02	O05	O06	123.4°	90.0°
P02	O03	C37	H371	10.3°	90.0°
O03	P02	O06	H1	123.7°	90.0°
O04	P02	O05	O06	126.2°	90.0°
P02	O04	C88	H881	45.4°	90.0°
O04	P02	O06	H1	124.9°	90.0°
O05	P02	O06	H1	0.0°	90.0°
H301	C30	C34	H341	16.5°	90.0°
H312	C31	H311	H313	120.0°	90.0°
H341	C34	C37	H371	32.0°	90.0°
H341	C34	O07	H071	58.0°	90.0°
H361	C36	H362	H363	120.0°	90.0°
H371	C37	C41	H411	90.7°	90.0°
H381	C38	C71	H711	93.8°	90.0°
H381	C38	C71	H712	146.4°	90.0°
H411	C41	C44	H442	136.3°	90.0°
H411	C41	C44	H441	16.8°	90.0°
H442	C44	O09	H091	59.7°	90.0°
H441	C44	O09	H091	59.8°	90.0°
H491	C49	H493	H492	120.0°	90.0°
H511	C51	C77	H771	177.3°	90.0°
H511	C51	C77	H772	59.3°	90.0°
H551	C55	H552	H553	120.0°	90.0°
H572	C57	H573	H571	120.0°	90.0°
H592	C59	H591	H593	120.0°	90.0°
H603	C60	H601	H602	120.0°	90.0°
H611	C61	C80	H801	79.3°	90.0°
H611	C61	C80	H802	38.6°	90.0°
H661	C66	H663	H662	120.0°	90.0°
H671	C67	C68	H681	168.6°	90.0°
H671	C67	C90	H901	165.4°	90.0°
H671	C67	C90	H902	75.2°	90.0°
H711	C71	C72	H721	170.8°	90.0°
H711	C71	C72	H722	70.9°	90.0°
H712	C71	C72	H721	51.0°	90.0°
H712	C71	C72	H722	169.4°	90.0°
H742	C74	H741	H743	120.0°	90.0°
H771	C77	C78	H782	177.9°	90.0°
H771	C77	C78	H781	60.3°	90.0°
H772	C77	C78	H782	64.2°	90.0°
H772	C77	C78	H781	178.3°	90.0°
H801	C80	C81	H811	167.4°	90.0°
H801	C80	C81	H812	74.4°	90.0°
H802	C80	C81	H811	49.5°	90.0°
H802	C80	C81	H812	167.7°	90.0°
H832	C83	H831	H833	120.0°	90.0°
H842	C84	C85	H851	155.8°	90.0°
H842	C84	C85	H852	84.6°	90.0°
H841	C84	C85	H851	37.4°	90.0°
H841	C84	C85	H852	157.0°	90.0°
H872	C87	C88	H881	56.4°	90.0°
H872	C87	N28	H281	164.4°	90.0°
H871	C87	C88	H881	62.9°	90.0°
H871	C87	N28	H281	76.3°	90.0°
H881	C88	C89	H893	59.9°	90.0°
H881	C88	C89	H892	60.2°	90.0°
H881	C88	C89	H891	179.9°	90.0°
H893	C89	H892	H891	120.0°	90.0°

Release date:	2023-05-10
Definition date:	2022-07-01
Last modified:	2023-05-05
Release status:	REL
Processing site:	RCSB
Derived from:	8D32