6DO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C16	sing	0.00Å	1.54Å
C17	C18	sing	0.00Å	1.55Å
C16	C14	sing	0.00Å	1.49Å
O26	C20	sing	0.00Å	1.45Å
O26	C13	sing	0.00Å	1.41Å
C18	N25	sing	0.00Å	1.43Å
C48	C29	sing	0.00Å	1.53Å
C06	C05	doub	0.00Å	1.37Å	Aromatic
C06	C07	sing	0.00Å	1.53Å	Aromatic
C05	C04	sing	0.00Å	1.53Å	Aromatic
C49	C29	sing	0.00Å	1.52Å
C15	C12	sing	0.00Å	1.50Å
C12	C13	sing	0.00Å	1.53Å
C12	C11	sing	0.00Å	1.53Å
C14	C13	sing	0.00Å	1.51Å
C14	N25	sing	0.00Å	1.44Å
N25	C19	sing	0.00Å	1.49Å
C29	C02	sing	0.00Å	1.51Å
C07	C08	doub	0.00Å	1.37Å	Aromatic
N24	C11	sing	0.00Å	1.45Å
N24	C10	sing	0.00Å	1.42Å
C04	C09	sing	0.00Å	1.56Å
C04	C03	doub	0.00Å	1.37Å	Aromatic
C11	O27	doub	0.00Å	1.24Å
C09	C10	sing	0.00Å	1.51Å
O52	C50	doub	0.00Å	1.22Å
C19	C21	sing	0.00Å	1.56Å
C19	O28	doub	0.00Å	1.22Å
C02	C22	sing	0.00Å	1.55Å
C02	N01	sing	0.00Å	1.42Å
O46	C32	sing	0.00Å	1.44Å
O46	C30	sing	0.00Å	1.42Å
C21	C30	sing	0.00Å	1.55Å
C10	C50	sing	0.00Å	1.52Å
C08	C03	sing	0.00Å	1.52Å	Aromatic
C37	N44	sing	0.00Å	1.43Å
C50	O51	sing	0.00Å	1.20Å
C22	N44	sing	0.00Å	1.51Å
C22	O23	doub	0.00Å	1.19Å
N01	C38	sing	0.00Å	1.45Å
C30	C31	sing	0.00Å	1.52Å
N44	C31	sing	0.00Å	1.46Å
C40	N45	sing	0.00Å	1.46Å
O47	C38	doub	0.00Å	1.21Å
C38	C39	sing	0.00Å	1.54Å
C31	C33	sing	0.00Å	1.52Å
N45	C39	sing	0.00Å	1.43Å
C39	C41	sing	0.00Å	1.51Å
C33	C34	sing	0.00Å	1.50Å
C33	C35	sing	0.00Å	1.52Å
C35	C36	sing	0.00Å	1.53Å
C41	C42	sing	0.00Å	1.56Å
C41	C43	sing	0.00Å	1.56Å
C10	H101	sing	0.00Å	1.10Å
C13	H131	sing	0.00Å	1.10Å
C15	H151	sing	0.00Å	1.10Å
C15	H152	sing	0.00Å	1.10Å
C15	H153	sing	0.00Å	1.10Å
C17	H171	sing	0.00Å	1.10Å
C17	H172	sing	0.00Å	1.10Å
C20	H203	sing	0.00Å	1.10Å
C20	H202	sing	0.00Å	1.10Å
C20	H201	sing	0.00Å	1.10Å
C21	H212	sing	0.00Å	1.10Å
C21	H211	sing	0.00Å	1.10Å
N01	H011	sing	0.00Å	1.00Å
C02	H021	sing	0.00Å	1.10Å
C03	H031	sing	0.00Å	1.08Å
C05	H051	sing	0.00Å	1.08Å
C06	H061	sing	0.00Å	1.08Å
C07	H071	sing	0.00Å	1.08Å
C08	H081	sing	0.00Å	1.08Å
C09	H092	sing	0.00Å	1.10Å
C09	H091	sing	0.00Å	1.10Å
C12	H121	sing	0.00Å	1.10Å
C14	H141	sing	0.00Å	1.10Å
C16	H162	sing	0.00Å	1.10Å
C16	H161	sing	0.00Å	1.10Å
C18	H182	sing	0.00Å	1.10Å
C18	H181	sing	0.00Å	1.10Å
N24	H241	sing	0.00Å	1.00Å
C29	H291	sing	0.00Å	1.10Å
C30	H301	sing	0.00Å	1.10Å
C31	H311	sing	0.00Å	1.10Å
C33	H331	sing	0.00Å	1.10Å
C34	H342	sing	0.00Å	1.10Å
C34	H343	sing	0.00Å	1.10Å
C34	H341	sing	0.00Å	1.10Å
C35	H351	sing	0.00Å	1.10Å
C35	H352	sing	0.00Å	1.10Å
C36	H361	sing	0.00Å	1.10Å
C36	H363	sing	0.00Å	1.10Å
C36	H362	sing	0.00Å	1.10Å
C39	H391	sing	0.00Å	1.10Å
C41	H411	sing	0.00Å	1.10Å
C42	H421	sing	0.00Å	1.10Å
C42	H423	sing	0.00Å	1.10Å
C42	H422	sing	0.00Å	1.10Å
C43	H432	sing	0.00Å	1.10Å
C43	H431	sing	0.00Å	1.10Å
C43	H433	sing	0.00Å	1.10Å
N45	H452	sing	0.00Å	1.00Å
C48	H482	sing	0.00Å	1.10Å
C48	H481	sing	0.00Å	1.10Å
C48	H483	sing	0.00Å	1.10Å
C49	H493	sing	0.00Å	1.10Å
C49	H491	sing	0.00Å	1.10Å
C49	H492	sing	0.00Å	1.10Å
O51	H1	sing	0.00Å	0.95Å
C40	H403	sing	0.00Å	1.10Å
C40	H401	sing	0.00Å	1.10Å
C40	H402	sing	0.00Å	1.10Å
C32	H321	sing	0.00Å	1.10Å
C32	H323	sing	0.00Å	1.10Å
C32	H322	sing	0.00Å	1.10Å
C37	H371	sing	0.00Å	1.10Å
C37	H372	sing	0.00Å	1.10Å
C37	H373	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C17	C18	100.9°	90.0°
C17	C16	C14	101.9°	90.0°
C16	C17	H171	111.5°	90.0°
C16	C17	H172	111.6°	90.0°
C17	C16	H162	111.3°	90.0°
C17	C16	H161	111.3°	90.0°
C17	C18	N25	104.7°	90.0°
C18	C17	H171	111.6°	90.0°
C18	C17	H172	111.6°	90.0°
C17	C18	H182	110.7°	90.0°
C17	C18	H181	110.6°	90.0°
C16	C14	C13	111.5°	90.0°
C16	C14	N25	109.0°	90.0°
C16	C14	H141	108.9°	90.0°
C14	C16	H162	111.3°	90.0°
C14	C16	H161	111.3°	90.0°
C20	O26	C13	112.9°	90.0°
O26	C20	H203	109.5°	90.0°
O26	C20	H202	109.5°	90.0°
O26	C20	H201	109.5°	90.0°
O26	C13	C12	109.3°	90.0°
O26	C13	C14	111.0°	90.0°
O26	C13	H131	109.5°	90.0°
C18	N25	C14	108.8°	90.0°
C18	N25	C19	127.1°	90.0°
N25	C18	H182	110.7°	90.0°
N25	C18	H181	110.7°	90.0°
C48	C29	C49	109.0°	90.0°
C48	C29	C02	108.7°	90.0°
C48	C29	H291	110.2°	90.0°
C29	C48	H482	109.5°	90.0°
C29	C48	H481	109.5°	90.0°
C29	C48	H483	109.5°	90.0°
C05	C06	C07	120.3°	90.0°
C06	C05	C04	119.8°	90.0°
C06	C05	H051	120.1°	90.0°
C05	C06	H061	119.9°	90.0°
C06	C07	C08	119.8°	90.0°
C07	C06	H061	119.9°	90.0°
C06	C07	H071	120.1°	90.0°
C05	C04	C09	119.8°	90.0°
C05	C04	C03	120.1°	90.0°
C04	C05	H051	120.1°	90.0°
C49	C29	C02	108.0°	90.0°
C49	C29	H291	110.4°	90.0°
C29	C49	H493	109.5°	90.0°
C29	C49	H491	109.5°	90.0°
C29	C49	H492	109.5°	90.0°
C15	C12	C13	110.4°	90.0°
C15	C12	C11	109.3°	90.0°
C12	C15	H151	109.5°	90.0°
C12	C15	H152	109.5°	90.0°
C12	C15	H153	109.4°	90.0°
C15	C12	H121	109.2°	90.0°
C13	C12	C11	110.3°	90.0°
C12	C13	C14	111.0°	90.0°
C12	C13	H131	107.9°	90.0°
C13	C12	H121	108.8°	90.0°
C12	C11	N24	118.3°	90.0°
C12	C11	O27	120.9°	90.0°
C11	C12	H121	108.8°	90.0°
C13	C14	N25	109.4°	90.0°
C14	C13	H131	108.0°	90.0°
C13	C14	H141	108.5°	90.0°
C14	N25	C19	124.1°	90.0°
N25	C14	H141	109.4°	90.0°
N25	C19	C21	120.3°	90.0°
N25	C19	O28	120.5°	90.0°
C29	C02	C22	109.5°	90.0°
C29	C02	N01	111.4°	90.0°
C29	C02	H021	110.3°	90.0°
C02	C29	H291	110.5°	90.0°
C07	C08	C03	120.2°	90.0°
C08	C07	H071	120.1°	90.0°
C07	C08	H081	119.9°	90.0°
C11	N24	C10	122.6°	90.0°
N24	C11	O27	120.8°	90.0°
C11	N24	H241	118.7°	90.0°
N24	C10	C09	106.9°	90.0°
N24	C10	C50	108.1°	90.0°
N24	C10	H101	111.6°	90.0°
C10	N24	H241	118.7°	90.0°
C09	C04	C03	120.1°	90.0°
C04	C09	C10	109.6°	90.0°
C04	C09	H092	109.4°	90.0°
C04	C09	H091	109.5°	90.0°
C04	C03	C08	119.8°	90.0°
C04	C03	H031	120.1°	90.0°
C09	C10	C50	109.7°	90.0°
C09	C10	H101	110.3°	90.0°
C10	C09	H092	109.5°	90.0°
C10	C09	H091	109.4°	90.0°
O52	C50	C10	119.2°	90.0°
O52	C50	O51	120.2°	90.0°
C21	C19	O28	119.1°	90.0°
C19	C21	C30	111.2°	90.0°
C19	C21	H212	109.0°	90.0°
C19	C21	H211	109.0°	90.0°
C22	C02	N01	103.6°	90.0°
C02	C22	N44	125.5°	90.0°
C02	C22	O23	115.9°	90.0°
C22	C02	H021	109.9°	90.0°
C02	N01	C38	120.4°	90.0°
C02	N01	H011	119.8°	90.0°
N01	C02	H021	111.8°	90.0°
C32	O46	C30	113.8°	90.0°
O46	C32	H321	109.5°	90.0°
O46	C32	H323	109.5°	90.0°
O46	C32	H322	109.5°	90.0°
O46	C30	C21	109.9°	90.0°
O46	C30	C31	107.5°	90.0°
O46	C30	H301	109.3°	90.0°
C21	C30	C31	114.3°	90.0°
C30	C21	H212	109.0°	90.0°
C30	C21	H211	109.0°	90.0°
C21	C30	H301	107.7°	90.0°
C10	C50	O51	120.7°	90.0°
C50	C10	H101	110.1°	90.0°
C08	C03	H031	120.1°	90.0°
C03	C08	H081	119.9°	90.0°
C37	N44	C22	122.3°	90.0°
C37	N44	C31	121.6°	90.0°
N44	C37	H371	109.5°	90.0°
N44	C37	H372	109.5°	90.0°
N44	C37	H373	109.5°	90.0°
C50	O51	H1	109.5°	90.0°
N44	C22	O23	118.5°	90.0°
C22	N44	C31	116.0°	90.0°
N01	C38	O47	120.6°	90.0°
N01	C38	C39	117.5°	90.0°
C38	N01	H011	119.8°	90.0°
C30	C31	N44	109.3°	90.0°
C30	C31	C33	114.3°	90.0°
C31	C30	H301	108.0°	90.0°
C30	C31	H311	106.6°	90.0°
N44	C31	C33	112.3°	90.0°
N44	C31	H311	107.3°	90.0°
C40	N45	C39	107.6°	90.0°
C40	N45	H452	109.9°	90.0°
N45	C40	H403	109.5°	90.0°
N45	C40	H401	109.5°	90.0°
N45	C40	H402	109.4°	90.0°
O47	C38	C39	121.8°	90.0°
C38	C39	N45	108.7°	90.0°
C38	C39	C41	110.8°	90.0°
C38	C39	H391	107.5°	90.0°
C31	C33	C34	111.7°	90.0°
C31	C33	C35	108.6°	90.0°
C33	C31	H311	106.6°	90.0°
C31	C33	H331	108.5°	90.0°
N45	C39	C41	113.0°	90.0°
N45	C39	H391	108.8°	90.0°
C39	N45	H452	109.9°	90.0°
C39	C41	C42	111.3°	90.0°
C39	C41	C43	112.0°	90.0°
C41	C39	H391	107.9°	90.0°
C39	C41	H411	108.1°	90.0°
C34	C33	C35	110.8°	90.0°
C34	C33	H331	108.7°	90.0°
C33	C34	H342	109.5°	90.0°
C33	C34	H343	109.5°	90.0°
C33	C34	H341	109.5°	90.0°
C33	C35	C36	113.8°	90.0°
C35	C33	H331	108.4°	90.0°
C33	C35	H351	108.4°	90.0°
C33	C35	H352	108.4°	90.0°
C36	C35	H351	108.4°	90.0°
C36	C35	H352	108.4°	90.0°
C35	C36	H361	109.5°	90.0°
C35	C36	H363	109.5°	90.0°
C35	C36	H362	109.4°	90.0°
C42	C41	C43	110.5°	90.0°
C42	C41	H411	107.4°	90.0°
C41	C42	H421	109.5°	90.0°
C41	C42	H423	109.5°	90.0°
C41	C42	H422	109.5°	90.0°
C43	C41	H411	107.4°	90.0°
C41	C43	H432	109.5°	90.0°
C41	C43	H431	109.5°	90.0°
C41	C43	H433	109.5°	90.0°
H151	C15	H152	109.5°	90.0°
H151	C15	H153	109.4°	90.0°
H152	C15	H153	109.5°	90.0°
H171	C17	H172	109.5°	90.0°
H203	C20	H202	109.5°	90.0°
H203	C20	H201	109.5°	90.0°
H202	C20	H201	109.4°	90.0°
H212	C21	H211	109.5°	90.0°
H092	C09	H091	109.5°	90.0°
H162	C16	H161	109.5°	90.0°
H182	C18	H181	109.5°	90.0°
H342	C34	H343	109.4°	90.0°
H342	C34	H341	109.5°	90.0°
H343	C34	H341	109.5°	90.0°
H351	C35	H352	109.5°	90.0°
H361	C36	H363	109.5°	90.0°
H361	C36	H362	109.5°	90.0°
H363	C36	H362	109.5°	90.0°
H421	C42	H423	109.4°	90.0°
H421	C42	H422	109.5°	90.0°
H423	C42	H422	109.5°	90.0°
H432	C43	H431	109.4°	90.0°
H432	C43	H433	109.5°	90.0°
H431	C43	H433	109.5°	90.0°
H482	C48	H481	109.5°	90.0°
H482	C48	H483	109.5°	90.0°
H481	C48	H483	109.5°	90.0°
H493	C49	H491	109.4°	90.0°
H493	C49	H492	109.5°	90.0°
H491	C49	H492	109.5°	90.0°
H403	C40	H401	109.5°	90.0°
H403	C40	H402	109.5°	90.0°
H401	C40	H402	109.4°	90.0°
H321	C32	H323	109.5°	90.0°
H321	C32	H322	109.5°	90.0°
H323	C32	H322	109.4°	90.0°
H371	C37	H372	109.5°	90.0°
H371	C37	H373	109.5°	90.0°
H372	C37	H373	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C17	C18	H171	118.6°	90.0°
C16	C17	C18	H172	118.6°	90.0°
C17	C16	C14	H162	118.8°	90.0°
C17	C16	C14	H161	118.8°	90.0°
C16	C17	C18	N25	36.0°	90.0°
C17	C16	C14	C13	145.3°	90.0°
C17	C16	C14	N25	24.4°	90.0°
C16	C17	H171	H172	123.9°	90.0°
C17	C16	C14	H141	95.0°	90.0°
C17	C16	H162	H161	123.5°	90.0°
C16	C17	C18	H182	83.3°	90.0°
C16	C17	C18	H181	155.2°	90.0°
C18	C17	C16	C14	35.7°	90.0°
C17	C18	N25	H182	119.2°	90.0°
C17	C18	N25	H181	119.2°	90.0°
C17	C18	N25	C14	22.1°	90.0°
C17	C18	N25	C19	156.7°	90.0°
C18	C17	H171	H172	124.0°	90.0°
C18	C17	C16	H162	154.5°	90.0°
C18	C17	C16	H161	83.1°	90.0°
C17	C18	H182	H181	122.2°	90.0°
C16	C14	C13	O26	55.3°	90.0°
C16	C14	N25	C18	1.6°	90.0°
C16	C14	C13	C12	66.5°	90.0°
C16	C14	C13	N25	120.7°	90.0°
C16	C14	C13	H141	119.9°	90.0°
C16	C14	N25	H141	119.0°	90.0°
C16	C14	N25	C19	179.6°	90.0°
C16	C14	C13	H131	175.4°	90.0°
C14	C16	C17	H171	154.3°	90.0°
C14	C16	C17	H172	82.9°	90.0°
C14	C16	H162	H161	123.5°	90.0°
C20	O26	C13	C12	124.2°	90.0°
C20	O26	C13	C14	113.0°	90.0°
C20	O26	C13	H131	6.2°	90.0°
O26	C20	H203	H202	120.0°	90.0°
O26	C20	H203	H201	120.0°	90.0°
O26	C20	H202	H201	120.0°	90.0°
O26	C13	C12	C15	54.5°	90.0°
O26	C13	C12	C14	122.8°	90.0°
O26	C13	C12	H131	119.0°	90.0°
O26	C13	C12	C11	175.4°	90.0°
O26	C13	C14	H131	120.0°	90.0°
O26	C13	C14	N25	65.4°	90.0°
C13	O26	C20	H203	180.0°	90.0°
C13	O26	C20	H202	60.0°	90.0°
C13	O26	C20	H201	60.0°	90.0°
O26	C13	C12	H121	65.3°	90.0°
O26	C13	C14	H141	175.3°	90.0°
C18	N25	C14	C13	123.8°	90.0°
C18	N25	C14	C19	178.8°	90.0°
C18	N25	C19	C21	1.5°	90.0°
C18	N25	C19	O28	178.4°	90.0°
N25	C18	C17	H171	154.6°	90.0°
N25	C18	C17	H172	82.6°	90.0°
C18	N25	C14	H141	117.4°	90.0°
N25	C18	H182	H181	122.2°	90.0°
C48	C29	C49	C02	117.9°	90.0°
C48	C29	C49	H291	121.2°	90.0°
C48	C29	C02	H291	121.0°	90.0°
C48	C29	C02	C22	64.3°	90.0°
C48	C29	C02	N01	178.4°	90.0°
C48	C29	C02	H021	56.8°	90.0°
C29	C48	H482	H481	120.0°	90.0°
C29	C48	H482	H483	120.0°	90.0°
C29	C48	H481	H483	120.0°	90.0°
C48	C29	C49	H493	180.0°	90.0°
C48	C29	C49	H491	60.0°	90.0°
C48	C29	C49	H492	60.0°	90.0°
C05	C06	C07	H061	180.0°	90.0°
C06	C05	C04	H051	180.0°	90.0°
C05	C06	C07	C08	0.1°	90.0°
C06	C05	C04	C09	179.9°	90.0°
C06	C05	C04	C03	0.1°	90.0°
C05	C06	C07	H071	179.9°	90.0°
C07	C06	C05	C04	0.0°	90.0°
C06	C07	C08	H071	180.0°	90.0°
C06	C07	C08	C03	0.2°	90.0°
C07	C06	C05	H051	180.0°	90.0°
C06	C07	C08	H081	179.8°	90.0°
C05	C04	C09	C03	179.8°	90.0°
C05	C04	C09	C10	101.9°	90.0°
C05	C04	C03	C08	0.2°	90.0°
C05	C04	C03	H031	179.8°	90.0°
C04	C05	C06	H061	180.0°	90.0°
C05	C04	C09	H092	138.1°	90.0°
C05	C04	C09	H091	18.1°	90.0°
C49	C29	C02	H291	120.8°	90.0°
C49	C29	C02	C22	177.6°	90.0°
C49	C29	C02	N01	63.5°	90.0°
C49	C29	C02	H021	61.3°	90.0°
C49	C29	C48	H482	180.0°	90.0°
C49	C29	C48	H481	60.0°	90.0°
C49	C29	C48	H483	60.0°	90.0°
C29	C49	H493	H491	120.0°	90.0°
C29	C49	H493	H492	120.0°	90.0°
C29	C49	H491	H492	120.0°	90.0°
C15	C12	C13	C11	120.9°	90.0°
C15	C12	C13	H121	119.8°	90.0°
C15	C12	C11	H121	119.2°	90.0°
C15	C12	C13	C14	177.3°	90.0°
C15	C12	C11	N24	107.2°	90.0°
C15	C12	C11	O27	73.5°	90.0°
C15	C12	C13	H131	64.5°	90.0°
C12	C15	H151	H152	120.0°	90.0°
C12	C15	H151	H153	120.0°	90.0°
C12	C15	H152	H153	120.0°	90.0°
C13	C12	C11	H121	119.3°	90.0°
C12	C13	C14	H131	118.1°	90.0°
C12	C13	C14	N25	172.8°	90.0°
C13	C12	C11	N24	131.3°	90.0°
C13	C12	C11	O27	48.0°	90.0°
C13	C12	C15	H151	180.0°	90.0°
C13	C12	C15	H152	60.0°	90.0°
C13	C12	C15	H153	60.0°	90.0°
C12	C13	C14	H141	53.4°	90.0°
C11	C12	C13	C14	61.8°	90.0°
C12	C11	N24	O27	179.3°	90.0°
C12	C11	N24	C10	179.9°	90.0°
C11	C12	C13	H131	56.4°	90.0°
C11	C12	C15	H151	58.5°	90.0°
C11	C12	C15	H152	178.6°	90.0°
C11	C12	C15	H153	61.4°	90.0°
C12	C11	N24	H241	0.1°	90.0°
C13	C14	N25	H141	118.8°	90.0°
C13	C14	N25	C19	57.4°	90.0°
C14	C13	C12	H121	57.5°	90.0°
C13	C14	C16	H162	95.9°	90.0°
C13	C14	C16	H161	26.6°	90.0°
C14	N25	C19	C21	179.9°	90.0°
C14	N25	C19	O28	0.2°	90.0°
N25	C14	C13	H131	54.7°	90.0°
N25	C14	C16	H162	143.1°	90.0°
N25	C14	C16	H161	94.4°	90.0°
C14	N25	C18	H182	97.2°	90.0°
C14	N25	C18	H181	141.3°	90.0°
N25	C19	C21	O28	179.9°	90.0°
N25	C19	C21	C30	148.1°	90.0°
N25	C19	C21	H212	27.8°	90.0°
N25	C19	C21	H211	91.7°	90.0°
C19	N25	C14	H141	61.3°	90.0°
C19	N25	C18	H182	84.1°	90.0°
C19	N25	C18	H181	37.5°	90.0°
C29	C02	C22	N01	119.0°	90.0°
C29	C02	C22	H021	121.4°	90.0°
C29	C02	N01	H021	124.0°	90.0°
C29	C02	C22	N44	123.3°	90.0°
C29	C02	C22	O23	57.8°	90.0°
C29	C02	N01	C38	154.7°	90.0°
C29	C02	N01	H011	25.3°	90.0°
C02	C29	C48	H482	62.6°	90.0°
C02	C29	C48	H481	57.4°	90.0°
C02	C29	C48	H483	177.4°	90.0°
C02	C29	C49	H493	62.1°	90.0°
C02	C29	C49	H491	177.9°	90.0°
C02	C29	C49	H492	57.9°	90.0°
C07	C08	C03	C04	0.2°	90.0°
C07	C08	C03	H081	180.0°	90.0°
C07	C08	C03	H031	179.8°	90.0°
C08	C07	C06	H061	179.9°	90.0°
C11	N24	C10	H241	180.0°	90.0°
C11	N24	C10	C09	145.5°	90.0°
C11	N24	C10	C50	96.5°	90.0°
C11	N24	C10	H101	24.8°	90.0°
N24	C11	C12	H121	12.0°	90.0°
N24	C10	C09	C04	67.1°	90.0°
C10	N24	C11	O27	0.6°	90.0°
N24	C10	C09	C50	117.0°	90.0°
N24	C10	C09	H101	121.5°	90.0°
N24	C10	C50	O52	23.1°	90.0°
N24	C10	C50	H101	122.2°	90.0°
N24	C10	C50	O51	157.3°	90.0°
N24	C10	C09	H092	172.9°	90.0°
N24	C10	C09	H091	52.9°	90.0°
C04	C09	C10	H092	120.0°	90.0°
C04	C09	C10	H091	120.0°	90.0°
C04	C09	C10	C50	175.9°	90.0°
C09	C04	C03	C08	180.0°	90.0°
C04	C09	C10	H101	54.4°	90.0°
C09	C04	C03	H031	0.0°	90.0°
C09	C04	C05	H051	0.1°	90.0°
C04	C09	H092	H091	120.0°	90.0°
C03	C04	C09	C10	77.9°	90.0°
C04	C03	C08	H031	180.0°	90.0°
C03	C04	C05	H051	179.9°	90.0°
C04	C03	C08	H081	179.8°	90.0°
C03	C04	C09	H092	42.1°	90.0°
C03	C04	C09	H091	162.0°	90.0°
O27	C11	C12	H121	167.3°	90.0°
O27	C11	N24	H241	179.4°	90.0°
C09	C10	C50	O52	93.2°	90.0°
C09	C10	C50	H101	121.6°	90.0°
C09	C10	C50	O51	86.5°	90.0°
C10	C09	H092	H091	119.9°	90.0°
C09	C10	N24	H241	34.5°	90.0°
O52	C50	C10	O51	179.7°	90.0°
O52	C50	C10	H101	145.2°	90.0°
O52	C50	O51	H1	0.0°	90.0°
C19	C21	C30	O46	92.0°	90.0°
C19	C21	C30	H212	120.3°	90.0°
C19	C21	C30	H211	120.2°	90.0°
C19	C21	C30	C31	147.1°	90.0°
C19	C21	H212	H211	119.2°	90.0°
C19	C21	C30	H301	27.1°	90.0°
O28	C19	C21	C30	32.0°	90.0°
O28	C19	C21	H212	152.3°	90.0°
O28	C19	C21	H211	88.2°	90.0°
C22	C02	N01	H021	118.4°	90.0°
C02	C22	N44	C37	0.3°	90.0°
C02	C22	N44	O23	178.9°	90.0°
C22	C02	N01	C38	87.6°	90.0°
C02	C22	N44	C31	179.4°	90.0°
C22	C02	N01	H011	92.4°	90.0°
C22	C02	C29	H291	56.7°	90.0°
N01	C02	C22	N44	117.7°	90.0°
N01	C02	C22	O23	61.2°	90.0°
C02	N01	C38	H011	180.0°	90.0°
C02	N01	C38	O47	2.0°	90.0°
C02	N01	C38	C39	178.2°	90.0°
N01	C02	C29	H291	57.3°	90.0°
C32	O46	C30	C21	119.5°	90.0°
C32	O46	C30	C31	115.6°	90.0°
C32	O46	C30	H301	1.4°	90.0°
O46	C32	H321	H323	120.0°	90.0°
O46	C32	H321	H322	120.0°	90.0°
O46	C32	H323	H322	120.0°	90.0°
O46	C30	C21	C31	120.9°	90.0°
O46	C30	C21	H301	119.0°	90.0°
O46	C30	C31	H301	117.9°	90.0°
O46	C30	C31	N44	51.2°	90.0°
O46	C30	C31	C33	178.1°	90.0°
O46	C30	C21	H212	28.3°	90.0°
O46	C30	C21	H211	147.8°	90.0°
O46	C30	C31	H311	64.4°	90.0°
C30	O46	C32	H321	180.0°	90.0°
C30	O46	C32	H323	60.0°	90.0°
C30	O46	C32	H322	60.0°	90.0°
C21	C30	C31	H301	119.9°	90.0°
C21	C30	C31	N44	71.1°	90.0°
C21	C30	C31	C33	55.8°	90.0°
C30	C21	H212	H211	119.2°	90.0°
C21	C30	C31	H311	173.3°	90.0°
C50	C10	C09	H092	55.9°	90.0°
C50	C10	C09	H091	64.1°	90.0°
C50	C10	N24	H241	83.5°	90.0°
C10	C50	O51	H1	179.7°	90.0°
C03	C08	C07	H071	179.8°	90.0°
C37	N44	C22	C31	179.8°	90.0°
C37	N44	C22	O23	179.2°	90.0°
C37	N44	C31	C30	83.7°	90.0°
C37	N44	C31	C33	44.2°	90.0°
C37	N44	C31	H311	161.1°	90.0°
N44	C37	H371	H372	120.0°	90.0°
N44	C37	H371	H373	120.0°	90.0°
N44	C37	H372	H373	120.0°	90.0°
O51	C50	C10	H101	35.1°	90.0°
C22	N44	C31	C30	96.5°	90.0°
C22	N44	C31	C33	135.5°	90.0°
N44	C22	C02	H021	1.9°	90.0°
C22	N44	C31	H311	18.7°	90.0°
C22	N44	C37	H371	180.0°	90.0°
C22	N44	C37	H372	60.0°	90.0°
C22	N44	C37	H373	60.0°	90.0°
O23	C22	N44	C31	0.5°	90.0°
O23	C22	C02	H021	179.2°	90.0°
N01	C38	O47	C39	179.8°	90.0°
N01	C38	C39	N45	127.7°	90.0°
N01	C38	C39	C41	107.6°	90.0°
C38	N01	C02	H021	30.8°	90.0°
N01	C38	C39	H391	10.1°	90.0°
C30	C31	N44	C33	128.0°	90.0°
C30	C31	N44	H311	115.2°	90.0°
C30	C31	C33	H311	117.5°	90.0°
C30	C31	C33	C34	46.3°	90.0°
C30	C31	C33	C35	168.9°	90.0°
C31	C30	C21	H212	92.7°	90.0°
C31	C30	C21	H211	26.9°	90.0°
C30	C31	C33	H331	73.5°	90.0°
N44	C31	C33	H311	117.2°	90.0°
N44	C31	C33	C34	171.6°	90.0°
N44	C31	C33	C35	65.8°	90.0°
N44	C31	C30	H301	169.1°	90.0°
N44	C31	C33	H331	51.8°	90.0°
C31	N44	C37	H371	0.3°	90.0°
C31	N44	C37	H372	119.7°	90.0°
C31	N44	C37	H373	120.2°	90.0°
C40	N45	C39	C38	72.8°	90.0°
C40	N45	C39	H452	119.7°	90.0°
C40	N45	C39	C41	163.9°	90.0°
C40	N45	C39	H391	44.0°	90.0°
N45	C40	H403	H401	120.0°	90.0°
N45	C40	H403	H402	120.0°	90.0°
N45	C40	H401	H402	120.0°	90.0°
O47	C38	C39	N45	52.1°	90.0°
O47	C38	C39	C41	72.6°	90.0°
O47	C38	N01	H011	178.0°	90.0°
O47	C38	C39	H391	169.7°	90.0°
C38	C39	N45	C41	123.4°	90.0°
C38	C39	N45	H391	116.8°	90.0°
C38	C39	C41	H391	117.4°	90.0°
C38	C39	C41	C42	53.6°	90.0°
C38	C39	C41	C43	70.7°	90.0°
C39	C38	N01	H011	1.8°	90.0°
C38	C39	C41	H411	171.3°	90.0°
C38	C39	N45	H452	167.6°	90.0°
C31	C33	C34	C35	121.3°	90.0°
C31	C33	C34	H331	119.6°	90.0°
C31	C33	C35	H331	117.7°	90.0°
C31	C33	C35	C36	84.7°	90.0°
C33	C31	C30	H301	64.1°	90.0°
C31	C33	C34	H342	180.0°	90.0°
C31	C33	C34	H343	60.0°	90.0°
C31	C33	C34	H341	60.0°	90.0°
C31	C33	C35	H351	36.0°	90.0°
C31	C33	C35	H352	154.7°	90.0°
N45	C39	C41	H391	120.4°	90.0°
N45	C39	C41	C42	175.8°	90.0°
N45	C39	C41	C43	51.5°	90.0°
N45	C39	C41	H411	66.5°	90.0°
C39	N45	C40	H403	180.0°	90.0°
C39	N45	C40	H401	60.0°	90.0°
C39	N45	C40	H402	60.0°	90.0°
C39	C41	C42	C43	125.1°	90.0°
C39	C41	C42	H411	118.1°	90.0°
C39	C41	C43	H411	118.5°	90.0°
C39	C41	C42	H421	180.0°	90.0°
C39	C41	C42	H423	60.0°	90.0°
C39	C41	C42	H422	60.0°	90.0°
C39	C41	C43	H432	180.0°	90.0°
C39	C41	C43	H431	60.0°	90.0°
C39	C41	C43	H433	60.0°	90.0°
C41	C39	N45	H452	44.2°	90.0°
C34	C33	C35	H331	119.3°	90.0°
C34	C33	C35	C36	38.4°	90.0°
C34	C33	C31	H311	71.2°	90.0°
C33	C34	H342	H343	120.0°	90.0°
C33	C34	H342	H341	120.0°	90.0°
C33	C34	H343	H341	120.0°	90.0°
C34	C33	C35	H351	159.0°	90.0°
C34	C33	C35	H352	82.3°	90.0°
C33	C35	C36	H351	120.6°	90.0°
C33	C35	C36	H352	120.7°	90.0°
C35	C33	C31	H311	51.4°	90.0°
C35	C33	C34	H342	58.7°	90.0°
C35	C33	C34	H343	178.7°	90.0°
C35	C33	C34	H341	61.3°	90.0°
C33	C35	H351	H352	118.0°	90.0°
C33	C35	C36	H361	180.0°	90.0°
C33	C35	C36	H363	60.0°	90.0°
C33	C35	C36	H362	60.0°	90.0°
C36	C35	C33	H331	157.7°	90.0°
C36	C35	H351	H352	118.0°	90.0°
C35	C36	H361	H363	120.0°	90.0°
C35	C36	H361	H362	120.0°	90.0°
C35	C36	H363	H362	120.0°	90.0°
C42	C41	C43	H411	116.8°	90.0°
C42	C41	C39	H391	63.8°	90.0°
C41	C42	H421	H423	120.0°	90.0°
C41	C42	H421	H422	120.0°	90.0°
C41	C42	H423	H422	120.0°	90.0°
C42	C41	C43	H432	55.3°	90.0°
C42	C41	C43	H431	175.3°	90.0°
C42	C41	C43	H433	64.7°	90.0°
C43	C41	C39	H391	171.9°	90.0°
C43	C41	C42	H421	54.9°	90.0°
C43	C41	C42	H423	65.1°	90.0°
C43	C41	C42	H422	174.9°	90.0°
C41	C43	H432	H431	120.0°	90.0°
C41	C43	H432	H433	120.0°	90.0°
C41	C43	H431	H433	120.0°	90.0°
H101	C10	C09	H092	65.6°	90.0°
H101	C10	C09	H091	174.4°	90.0°
H101	C10	N24	H241	155.2°	90.0°
H131	C13	C12	H121	175.7°	90.0°
H131	C13	C14	H141	64.7°	90.0°
H151	C15	H152	H153	120.0°	90.0°
H151	C15	C12	H121	60.4°	90.0°
H152	C15	C12	H121	59.6°	90.0°
H153	C15	C12	H121	179.6°	90.0°
H171	C17	C16	H162	86.9°	90.0°
H171	C17	C16	H161	35.5°	90.0°
H171	C17	C18	H182	35.3°	90.0°
H171	C17	C18	H181	86.2°	90.0°
H172	C17	C16	H162	35.8°	90.0°
H172	C17	C16	H161	158.3°	90.0°
H172	C17	C18	H182	158.1°	90.0°
H172	C17	C18	H181	36.6°	90.0°
H203	C20	H202	H201	120.0°	90.0°
H212	C21	C30	H301	147.3°	90.0°
H211	C21	C30	H301	93.2°	90.0°
H011	N01	C02	H021	149.2°	90.0°
H021	C02	C29	H291	177.9°	90.0°
H031	C03	C08	H081	0.2°	90.0°
H051	C05	C06	H061	0.0°	90.0°
H061	C06	C07	H071	0.1°	90.0°
H071	C07	C08	H081	0.2°	90.0°
H141	C14	C16	H162	23.8°	90.0°
H141	C14	C16	H161	146.2°	90.0°
H291	C29	C48	H482	58.6°	90.0°
H291	C29	C48	H481	178.6°	90.0°
H291	C29	C48	H483	61.4°	90.0°
H291	C29	C49	H493	58.7°	90.0°
H291	C29	C49	H491	61.2°	90.0°
H291	C29	C49	H492	178.8°	90.0°
H301	C30	C31	H311	53.4°	90.0°
H311	C31	C33	H331	169.0°	90.0°
H331	C33	C34	H342	60.3°	90.0°
H331	C33	C34	H343	59.6°	90.0°
H331	C33	C34	H341	179.6°	90.0°
H331	C33	C35	H351	81.7°	90.0°
H331	C33	C35	H352	37.0°	90.0°
H342	C34	H343	H341	120.0°	90.0°
H351	C35	C36	H361	59.3°	90.0°
H351	C35	C36	H363	179.4°	90.0°
H351	C35	C36	H362	60.6°	90.0°
H352	C35	C36	H361	59.4°	90.0°
H352	C35	C36	H363	60.7°	90.0°
H352	C35	C36	H362	179.3°	90.0°
H361	C36	H363	H362	120.0°	90.0°
H391	C39	C41	H411	53.8°	90.0°
H391	C39	N45	H452	75.7°	90.0°
H411	C41	C42	H421	61.9°	90.0°
H411	C41	C42	H423	178.1°	90.0°
H411	C41	C42	H422	58.1°	90.0°
H411	C41	C43	H432	61.5°	90.0°
H411	C41	C43	H431	58.5°	90.0°
H411	C41	C43	H433	178.5°	90.0°
H421	C42	H423	H422	120.0°	90.0°
H432	C43	H431	H433	120.0°	90.0°
H452	N45	C40	H403	60.3°	90.0°
H452	N45	C40	H401	59.7°	90.0°
H452	N45	C40	H402	179.7°	90.0°
H482	C48	H481	H483	120.0°	90.0°
H493	C49	H491	H492	120.0°	90.0°
H403	C40	H401	H402	120.0°	90.0°
H321	C32	H323	H322	120.0°	90.0°
H371	C37	H372	H373	120.0°	90.0°

Release date:	2016-08-17
Definition date:	2016-03-30
Last modified:	2016-08-12
Release status:	REL
Processing site:	EBI
Derived from:	5J2U