U00

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O02	C01	sing	0.00Å	1.40Å
C03	O02	sing	0.00Å	1.40Å
C04	C03	doub	0.00Å	1.40Å	Aromatic
C06	O05	sing	0.00Å	1.41Å
O05	C04	sing	0.00Å	1.41Å
C07	C04	sing	0.00Å	1.39Å	Aromatic
C09	O08	sing	0.00Å	1.42Å
C10	C09	sing	0.00Å	1.56Å
C11	C10	doub	0.00Å	1.40Å	Aromatic
C12	C11	sing	0.00Å	1.40Å	Aromatic
C13	C12	doub	0.00Å	1.40Å	Aromatic
N14	C13	sing	0.00Å	1.47Å
C17	C13	sing	0.00Å	1.40Å	Aromatic
C18	C17	doub	0.00Å	1.41Å	Aromatic
O08	C07	sing	0.00Å	1.43Å
C19	C07	doub	0.00Å	1.40Å	Aromatic
C20	C19	sing	0.00Å	1.39Å	Aromatic
C23	O22	sing	0.00Å	1.42Å
C24	C23	sing	0.00Å	1.55Å
C25	C24	sing	0.00Å	1.56Å
N26	C25	sing	0.00Å	1.35Å
C27	N26	sing	0.00Å	1.30Å
C28	C27	sing	0.00Å	1.55Å
C29	C28	sing	0.00Å	1.55Å
N30	C29	sing	0.00Å	1.29Å
C32	C31	sing	0.00Å	1.57Å
C31	N30	sing	0.00Å	1.33Å
C33	N30	sing	0.00Å	1.36Å
C34	C33	sing	0.00Å	1.57Å
C35	C34	sing	0.00Å	1.57Å
O36	C35	sing	0.00Å	1.42Å
C37	O36	sing	0.00Å	1.42Å
C39	C38	doub	0.00Å	1.40Å	Aromatic
C40	C39	sing	0.00Å	1.40Å	Aromatic
C42	O41	sing	0.00Å	1.41Å
O41	C40	sing	0.00Å	1.43Å
C43	C40	doub	0.00Å	1.40Å	Aromatic
C46	O45	sing	0.00Å	1.40Å
O45	C44	sing	0.00Å	1.41Å
C47	C44	doub	0.00Å	1.40Å	Aromatic
C44	C43	sing	0.00Å	1.40Å	Aromatic
O48	C43	sing	0.00Å	1.41Å
C49	O48	sing	0.00Å	1.40Å
C38	C37	sing	0.00Å	1.56Å
O50	C37	doub	0.00Å	1.19Å
O22	C21	sing	0.00Å	1.41Å
O51	C21	doub	0.00Å	1.19Å
C21	C20	sing	0.00Å	1.54Å
C52	C20	doub	0.00Å	1.39Å	Aromatic
C03	C52	sing	0.00Å	1.40Å	Aromatic
C10	C18	sing	0.00Å	1.40Å	Aromatic
N26	C32	sing	0.00Å	1.32Å
C38	C47	sing	0.00Å	1.39Å	Aromatic
O15	N14	doub	0.00Å	1.36Å
O16	N14	sing	0.00Å	1.36Å
C17	H171	sing	0.00Å	1.08Å
C01	H013	sing	0.00Å	1.10Å
C01	H011	sing	0.00Å	1.10Å
C01	H012	sing	0.00Å	1.10Å
C06	H063	sing	0.00Å	1.10Å
C06	H061	sing	0.00Å	1.10Å
C06	H062	sing	0.00Å	1.10Å
C11	H111	sing	0.00Å	1.08Å
C12	H121	sing	0.00Å	1.08Å
C09	H091	sing	0.00Å	1.10Å
C09	H092	sing	0.00Å	1.10Å
C18	H181	sing	0.00Å	1.08Å
C19	H191	sing	0.00Å	1.08Å
C23	H231	sing	0.00Å	1.10Å
C23	H232	sing	0.00Å	1.10Å
C24	H241	sing	0.00Å	1.10Å
C24	H242	sing	0.00Å	1.10Å
C25	H251	sing	0.00Å	1.10Å
C25	H252	sing	0.00Å	1.10Å
C27	H272	sing	0.00Å	1.10Å
C27	H271	sing	0.00Å	1.10Å
C28	H282	sing	0.00Å	1.10Å
C28	H281	sing	0.00Å	1.10Å
C29	H291	sing	0.00Å	1.10Å
C29	H292	sing	0.00Å	1.10Å
C31	H311	sing	0.00Å	1.10Å
C31	H312	sing	0.00Å	1.10Å
C32	H321	sing	0.00Å	1.10Å
C32	H322	sing	0.00Å	1.10Å
C33	H331	sing	0.00Å	1.10Å
C33	H332	sing	0.00Å	1.10Å
C34	H341	sing	0.00Å	1.10Å
C34	H342	sing	0.00Å	1.10Å
C35	H352	sing	0.00Å	1.10Å
C35	H351	sing	0.00Å	1.10Å
C39	H391	sing	0.00Å	1.08Å
C42	H421	sing	0.00Å	1.10Å
C42	H422	sing	0.00Å	1.10Å
C42	H423	sing	0.00Å	1.10Å
C46	H463	sing	0.00Å	1.10Å
C46	H461	sing	0.00Å	1.10Å
C46	H462	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
C52	H521	sing	0.00Å	1.08Å
O16	H3	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	O02	C03	114.8°	90.0°
O02	C01	H013	109.5°	90.0°
O02	C01	H011	109.5°	90.0°
O02	C01	H012	109.4°	90.0°
O02	C03	C04	119.7°	90.0°
O02	C03	C52	120.5°	90.0°
C03	C04	O05	120.0°	90.0°
C03	C04	C07	120.6°	90.0°
C04	C03	C52	119.8°	90.0°
C06	O05	C04	113.7°	90.0°
O05	C06	H063	109.5°	90.0°
O05	C06	H061	109.5°	90.0°
O05	C06	H062	109.5°	90.0°
O05	C04	C07	119.5°	90.0°
C04	C07	O08	119.5°	90.0°
C04	C07	C19	119.3°	90.0°
O08	C09	C10	106.6°	90.0°
C09	O08	C07	117.3°	90.0°
O08	C09	H091	110.2°	90.0°
O08	C09	H092	110.2°	90.0°
C09	C10	C11	117.9°	90.0°
C09	C10	C18	121.6°	90.0°
C10	C09	H091	110.2°	90.0°
C10	C09	H092	110.2°	90.0°
C10	C11	C12	120.2°	90.0°
C11	C10	C18	120.4°	90.0°
C10	C11	H111	119.9°	90.0°
C11	C12	C13	119.7°	90.0°
C12	C11	H111	119.9°	90.0°
C11	C12	H121	120.2°	90.0°
C12	C13	N14	119.0°	90.0°
C12	C13	C17	120.5°	90.0°
C13	C12	H121	120.2°	90.0°
N14	C13	C17	120.5°	90.0°
C13	N14	O15	119.8°	90.0°
C13	N14	O16	119.6°	90.0°
C13	C17	C18	119.7°	90.0°
C13	C17	H171	120.1°	90.0°
C17	C18	C10	119.5°	90.0°
C18	C17	H171	120.1°	90.0°
C17	C18	H181	120.3°	90.0°
O08	C07	C19	121.2°	90.0°
C07	C19	C20	120.3°	90.0°
C07	C19	H191	119.8°	90.0°
C19	C20	C21	117.9°	90.0°
C19	C20	C52	120.6°	90.0°
C20	C19	H191	119.8°	90.0°
O22	C23	C24	110.1°	90.0°
C23	O22	C21	113.0°	90.0°
O22	C23	H231	109.3°	90.0°
O22	C23	H232	109.3°	90.0°
C23	C24	C25	107.8°	90.0°
C24	C23	H231	109.3°	90.0°
C24	C23	H232	109.3°	90.0°
C23	C24	H241	109.9°	90.0°
C23	C24	H242	109.9°	90.0°
C24	C25	N26	109.1°	90.0°
C25	C24	H241	109.9°	90.0°
C25	C24	H242	109.9°	90.0°
C24	C25	H251	109.5°	90.0°
C24	C25	H252	109.5°	90.0°
C25	N26	C27	110.5°	90.0°
C25	N26	C32	109.8°	90.0°
N26	C25	H251	109.6°	90.0°
N26	C25	H252	109.6°	90.0°
N26	C27	C28	112.6°	90.0°
C27	N26	C32	112.4°	90.0°
N26	C27	H272	108.7°	90.0°
N26	C27	H271	108.7°	90.0°
C27	C28	C29	114.4°	90.0°
C28	C27	H272	108.7°	90.0°
C28	C27	H271	108.7°	90.0°
C27	C28	H282	108.2°	90.0°
C27	C28	H281	108.2°	90.0°
C28	C29	N30	114.2°	90.0°
C29	C28	H282	108.2°	90.0°
C29	C28	H281	108.2°	90.0°
C28	C29	H291	108.3°	90.0°
C28	C29	H292	108.3°	90.0°
C29	N30	C31	109.0°	90.0°
C29	N30	C33	110.4°	90.0°
N30	C29	H291	108.3°	90.0°
N30	C29	H292	108.3°	90.0°
C32	C31	N30	114.0°	90.0°
C31	C32	N26	116.2°	90.0°
C32	C31	H311	108.3°	90.0°
C32	C31	H312	108.3°	90.0°
C31	C32	H321	107.8°	90.0°
C31	C32	H322	107.8°	90.0°
C31	N30	C33	108.9°	90.0°
N30	C31	H311	108.3°	90.0°
N30	C31	H312	108.4°	90.0°
N30	C33	C34	111.4°	90.0°
N30	C33	H331	109.0°	90.0°
N30	C33	H332	109.0°	90.0°
C33	C34	C35	110.4°	90.0°
C34	C33	H331	109.0°	90.0°
C34	C33	H332	109.0°	90.0°
C33	C34	H341	109.2°	90.0°
C33	C34	H342	109.2°	90.0°
C34	C35	O36	108.2°	90.0°
C35	C34	H341	109.2°	90.0°
C35	C34	H342	109.2°	90.0°
C34	C35	H352	109.8°	90.0°
C34	C35	H351	109.8°	90.0°
C35	O36	C37	114.6°	90.0°
O36	C35	H352	109.8°	90.0°
O36	C35	H351	109.8°	90.0°
O36	C37	C38	120.2°	90.0°
O36	C37	O50	120.7°	90.0°
C38	C39	C40	119.9°	90.0°
C39	C38	C37	119.9°	90.0°
C39	C38	C47	120.4°	90.0°
C38	C39	H391	120.0°	90.0°
C39	C40	O41	121.4°	90.0°
C39	C40	C43	119.6°	90.0°
C40	C39	H391	120.1°	90.0°
C42	O41	C40	116.2°	90.0°
O41	C42	H421	109.5°	90.0°
O41	C42	H422	109.5°	90.0°
O41	C42	H423	109.5°	90.0°
O41	C40	C43	119.1°	90.0°
C40	C43	C44	120.5°	90.0°
C40	C43	O48	119.3°	90.0°
C46	O45	C44	113.9°	90.0°
O45	C46	H463	109.5°	90.0°
O45	C46	H461	109.5°	90.0°
O45	C46	H462	109.4°	90.0°
O45	C44	C47	120.1°	90.0°
O45	C44	C43	120.2°	90.0°
C47	C44	C43	119.8°	90.0°
C44	C47	C38	119.9°	90.0°
C44	C47	H471	120.0°	90.0°
C44	C43	O48	120.3°	90.0°
C43	O48	C49	112.4°	90.0°
O48	C49	H491	109.5°	90.0°
O48	C49	H493	109.4°	90.0°
O48	C49	H492	109.5°	90.0°
C38	C37	O50	119.1°	90.0°
C37	C38	C47	119.7°	90.0°
O22	C21	O51	120.6°	90.0°
O22	C21	C20	120.1°	90.0°
O51	C21	C20	119.3°	90.0°
C21	C20	C52	121.5°	90.0°
C20	C52	C03	119.4°	90.0°
C20	C52	H521	120.3°	90.0°
C03	C52	H521	120.3°	90.0°
C10	C18	H181	120.2°	90.0°
N26	C32	H321	107.8°	90.0°
N26	C32	H322	107.8°	90.0°
C38	C47	H471	120.1°	90.0°
O15	N14	O16	120.6°	90.0°
N14	O16	H3	109.5°	90.0°
H013	C01	H011	109.4°	90.0°
H013	C01	H012	109.5°	90.0°
H011	C01	H012	109.5°	90.0°
H063	C06	H061	109.5°	90.0°
H063	C06	H062	109.5°	90.0°
H061	C06	H062	109.5°	90.0°
H091	C09	H092	109.5°	90.0°
H231	C23	H232	109.4°	90.0°
H241	C24	H242	109.5°	90.0°
H251	C25	H252	109.5°	90.0°
H272	C27	H271	109.5°	90.0°
H282	C28	H281	109.5°	90.0°
H291	C29	H292	109.5°	90.0°
H311	C31	H312	109.5°	90.0°
H321	C32	H322	109.5°	90.0°
H331	C33	H332	109.5°	90.0°
H341	C34	H342	109.5°	90.0°
H352	C35	H351	109.4°	90.0°
H421	C42	H422	109.5°	90.0°
H421	C42	H423	109.4°	90.0°
H422	C42	H423	109.5°	90.0°
H463	C46	H461	109.4°	90.0°
H463	C46	H462	109.5°	90.0°
H461	C46	H462	109.5°	90.0°
H491	C49	H493	109.5°	90.0°
H491	C49	H492	109.5°	90.0°
H493	C49	H492	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	O02	C03	C04	123.3°	90.0°
C01	O02	C03	C52	56.8°	90.0°
O02	C01	H013	H011	120.0°	90.0°
O02	C01	H013	H012	120.0°	90.0°
O02	C01	H011	H012	120.0°	90.0°
O02	C03	C04	C52	179.9°	90.0°
O02	C03	C04	O05	0.1°	90.0°
O02	C03	C04	C07	179.9°	90.0°
O02	C03	C52	C20	180.0°	90.0°
C03	O02	C01	H013	180.0°	90.0°
C03	O02	C01	H011	60.0°	90.0°
C03	O02	C01	H012	60.0°	90.0°
O02	C03	C52	H521	0.0°	90.0°
C03	C04	O05	C06	72.7°	90.0°
C03	C04	O05	C07	180.0°	90.0°
C03	C04	C07	O08	179.5°	90.0°
C03	C04	C07	C19	0.3°	90.0°
C04	C03	C52	C20	0.1°	90.0°
C04	C03	C52	H521	180.0°	90.0°
C06	O05	C04	C07	107.3°	90.0°
O05	C06	H063	H061	120.0°	90.0°
O05	C06	H063	H062	120.0°	90.0°
O05	C06	H061	H062	120.0°	90.0°
O05	C04	C07	O08	0.4°	90.0°
O05	C04	C07	C19	179.7°	90.0°
O05	C04	C03	C52	180.0°	90.0°
C04	O05	C06	H063	180.0°	90.0°
C04	O05	C06	H061	60.0°	90.0°
C04	O05	C06	H062	60.0°	90.0°
C04	C07	O08	C09	152.6°	90.0°
C04	C07	O08	C19	179.2°	90.0°
C04	C07	C19	C20	0.7°	90.0°
C07	C04	C03	C52	0.0°	90.0°
C04	C07	C19	H191	179.3°	90.0°
O08	C09	C10	H091	119.6°	90.0°
O08	C09	C10	H092	119.5°	90.0°
O08	C09	C10	C11	14.2°	90.0°
C09	O08	C07	C19	28.2°	90.0°
O08	C09	C10	C18	164.9°	90.0°
O08	C09	H091	H092	121.3°	90.0°
C09	C10	C11	C18	179.1°	90.0°
C09	C10	C11	C12	179.4°	90.0°
C09	C10	C18	C17	179.4°	90.0°
C10	C09	O08	C07	128.0°	90.0°
C09	C10	C11	H111	0.6°	90.0°
C10	C09	H091	H092	121.3°	90.0°
C09	C10	C18	H181	0.6°	90.0°
C10	C11	C12	H111	180.0°	90.0°
C10	C11	C12	C13	0.1°	90.0°
C11	C10	C18	C17	0.3°	90.0°
C10	C11	C12	H121	179.9°	90.0°
C11	C10	C09	H091	105.4°	90.0°
C11	C10	C09	H092	133.7°	90.0°
C11	C10	C18	H181	179.6°	90.0°
C11	C12	C13	H121	180.0°	90.0°
C11	C12	C13	N14	179.9°	90.0°
C11	C12	C13	C17	0.0°	90.0°
C12	C11	C10	C18	0.3°	90.0°
C12	C13	N14	C17	179.8°	90.0°
C12	C13	C17	C18	0.1°	90.0°
C12	C13	N14	O15	0.1°	90.0°
C12	C13	N14	O16	179.8°	90.0°
C12	C13	C17	H171	179.9°	90.0°
C13	C12	C11	H111	179.9°	90.0°
N14	C13	C17	C18	179.9°	90.0°
C13	N14	O15	O16	179.8°	90.0°
N14	C13	C17	H171	0.1°	90.0°
N14	C13	C12	H121	0.1°	90.0°
C13	N14	O16	H3	179.8°	90.0°
C13	C17	C18	H171	180.0°	90.0°
C13	C17	C18	C10	0.3°	90.0°
C17	C13	N14	O15	179.9°	90.0°
C17	C13	N14	O16	0.3°	90.0°
C17	C13	C12	H121	179.9°	90.0°
C13	C17	C18	H181	179.7°	90.0°
C17	C18	C10	H181	180.0°	90.0°
O08	C07	C19	C20	179.9°	90.0°
C07	O08	C09	H091	112.4°	90.0°
C07	O08	C09	H092	8.5°	90.0°
O08	C07	C19	H191	0.1°	90.0°
C07	C19	C20	H191	180.0°	90.0°
C07	C19	C20	C21	179.6°	90.0°
C07	C19	C20	C52	0.8°	90.0°
C19	C20	C21	O22	158.0°	90.0°
C19	C20	C21	O51	22.0°	90.0°
C19	C20	C21	C52	179.7°	90.0°
C19	C20	C52	C03	0.5°	90.0°
C19	C20	C52	H521	179.6°	90.0°
O22	C23	C24	H231	120.1°	90.0°
O22	C23	C24	H232	120.1°	90.0°
O22	C23	C24	C25	178.7°	90.0°
C23	O22	C21	O51	18.4°	90.0°
C23	O22	C21	C20	161.5°	90.0°
O22	C23	H231	H232	119.7°	90.0°
O22	C23	C24	H241	59.0°	90.0°
O22	C23	C24	H242	61.5°	90.0°
C23	C24	C25	H241	119.7°	90.0°
C23	C24	C25	H242	119.7°	90.0°
C23	C24	C25	N26	54.8°	90.0°
C24	C23	O22	C21	61.1°	90.0°
C24	C23	H231	H232	119.7°	90.0°
C23	C24	H241	H242	120.8°	90.0°
C23	C24	C25	H251	174.7°	90.0°
C23	C24	C25	H252	65.2°	90.0°
C24	C25	N26	H251	119.9°	90.0°
C24	C25	N26	H252	119.9°	90.0°
C24	C25	N26	C27	96.7°	90.0°
C24	C25	N26	C32	138.8°	90.0°
C25	C24	C23	H231	61.2°	90.0°
C25	C24	C23	H232	58.6°	90.0°
C25	C24	H241	H242	120.8°	90.0°
C24	C25	H251	H252	120.1°	90.0°
C25	N26	C27	C32	123.0°	90.0°
C25	N26	C27	C28	149.0°	90.0°
C25	N26	C32	C31	161.8°	90.0°
N26	C25	C24	H241	65.0°	90.0°
N26	C25	C24	H242	174.5°	90.0°
N26	C25	H251	H252	120.2°	90.0°
C25	N26	C27	H272	28.5°	90.0°
C25	N26	C27	H271	90.6°	90.0°
C25	N26	C32	H321	77.3°	90.0°
C25	N26	C32	H322	40.8°	90.0°
N26	C27	C28	H272	120.5°	90.0°
N26	C27	C28	H271	120.5°	90.0°
N26	C27	C28	C29	71.1°	90.0°
C27	N26	C32	C31	38.4°	90.0°
C27	N26	C25	H251	23.3°	90.0°
C27	N26	C25	H252	143.4°	90.0°
N26	C27	H272	H271	118.6°	90.0°
N26	C27	C28	H282	49.6°	90.0°
N26	C27	C28	H281	168.2°	90.0°
C27	N26	C32	H321	159.4°	90.0°
C27	N26	C32	H322	82.6°	90.0°
C27	C28	C29	H282	120.7°	90.0°
C27	C28	C29	H281	120.7°	90.0°
C27	C28	C29	N30	49.0°	90.0°
C28	C27	N26	C32	88.1°	90.0°
C28	C27	H272	H271	118.6°	90.0°
C27	C28	H282	H281	117.8°	90.0°
C27	C28	C29	H291	169.7°	90.0°
C27	C28	C29	H292	71.7°	90.0°
C28	C29	N30	H291	120.7°	90.0°
C28	C29	N30	H292	120.7°	90.0°
C28	C29	N30	C31	71.5°	90.0°
C28	C29	N30	C33	169.0°	90.0°
C29	C28	C27	H272	168.4°	90.0°
C29	C28	C27	H271	49.3°	90.0°
C29	C28	H282	H281	117.8°	90.0°
C28	C29	H291	H292	117.8°	90.0°
C29	N30	C31	C32	95.9°	90.0°
C29	N30	C31	C33	120.5°	90.0°
C29	N30	C33	C34	80.5°	90.0°
N30	C29	C28	H282	71.7°	90.0°
N30	C29	C28	H281	169.7°	90.0°
N30	C29	H291	H292	117.9°	90.0°
C29	N30	C31	H311	24.8°	90.0°
C29	N30	C31	H312	143.4°	90.0°
C29	N30	C33	H331	39.8°	90.0°
C29	N30	C33	H332	159.2°	90.0°
C32	C31	N30	H311	120.7°	90.0°
C32	C31	N30	H312	120.7°	90.0°
C32	C31	N30	C33	143.6°	90.0°
C31	C32	N26	H321	121.0°	90.0°
C31	C32	N26	H322	121.0°	90.0°
C32	C31	H311	H312	117.9°	90.0°
C31	C32	H321	H322	116.9°	90.0°
C31	N30	C33	C34	159.9°	90.0°
N30	C31	C32	N26	48.8°	90.0°
C31	N30	C29	H291	167.8°	90.0°
C31	N30	C29	H292	49.2°	90.0°
N30	C31	H311	H312	118.0°	90.0°
N30	C31	C32	H321	72.1°	90.0°
N30	C31	C32	H322	169.8°	90.0°
C31	N30	C33	H331	79.8°	90.0°
C31	N30	C33	H332	39.6°	90.0°
N30	C33	C34	H331	120.3°	90.0°
N30	C33	C34	H332	120.3°	90.0°
N30	C33	C34	C35	156.7°	90.0°
C33	N30	C29	H291	48.2°	90.0°
C33	N30	C29	H292	70.3°	90.0°
C33	N30	C31	H311	95.7°	90.0°
C33	N30	C31	H312	23.0°	90.0°
N30	C33	H331	H332	119.1°	90.0°
N30	C33	C34	H341	36.6°	90.0°
N30	C33	C34	H342	83.1°	90.0°
C33	C34	C35	H341	120.2°	90.0°
C33	C34	C35	H342	120.1°	90.0°
C33	C34	C35	O36	103.0°	90.0°
C34	C33	H331	H332	119.1°	90.0°
C33	C34	H341	H342	119.6°	90.0°
C33	C34	C35	H352	137.2°	90.0°
C33	C34	C35	H351	16.9°	90.0°
C34	C35	O36	H352	119.8°	90.0°
C34	C35	O36	H351	119.8°	90.0°
C34	C35	O36	C37	98.9°	90.0°
C35	C34	C33	H331	83.0°	90.0°
C35	C34	C33	H332	36.5°	90.0°
C35	C34	H341	H342	119.5°	90.0°
C34	C35	H352	H351	120.6°	90.0°
C35	O36	C37	C38	133.8°	90.0°
C35	O36	C37	O50	47.0°	90.0°
O36	C35	C34	H341	17.2°	90.0°
O36	C35	C34	H342	136.9°	90.0°
O36	C35	H352	H351	120.6°	90.0°
O36	C37	C38	C39	153.6°	90.0°
O36	C37	C38	O50	179.2°	90.0°
O36	C37	C38	C47	26.5°	90.0°
C37	O36	C35	H352	20.9°	90.0°
C37	O36	C35	H351	141.3°	90.0°
C38	C39	C40	H391	180.0°	90.0°
C38	C39	C40	O41	179.4°	90.0°
C38	C39	C40	C43	0.2°	90.0°
C39	C38	C47	C44	0.3°	90.0°
C39	C38	C37	C47	179.9°	90.0°
C39	C38	C37	O50	25.6°	90.0°
C39	C38	C47	H471	179.7°	90.0°
C39	C40	O41	C42	45.2°	90.0°
C39	C40	O41	C43	179.3°	90.0°
C39	C40	C43	C44	0.2°	90.0°
C39	C40	C43	O48	179.7°	90.0°
C40	C39	C38	C37	179.9°	90.0°
C40	C39	C38	C47	0.1°	90.0°
C42	O41	C40	C43	135.5°	90.0°
O41	C42	H421	H422	120.0°	90.0°
O41	C42	H421	H423	120.0°	90.0°
O41	C42	H422	H423	120.0°	90.0°
O41	C40	C43	C44	179.5°	90.0°
O41	C40	C43	O48	1.0°	90.0°
O41	C40	C39	H391	0.6°	90.0°
C40	O41	C42	H421	180.0°	90.0°
C40	O41	C42	H422	60.0°	90.0°
C40	O41	C42	H423	60.0°	90.0°
C40	C43	C44	O45	179.6°	90.0°
C40	C43	C44	C47	0.0°	90.0°
C40	C43	C44	O48	179.5°	90.0°
C40	C43	O48	C49	73.0°	90.0°
C43	C40	C39	H391	179.9°	90.0°
C46	O45	C44	C47	50.6°	90.0°
C46	O45	C44	C43	129.7°	90.0°
O45	C46	H463	H461	120.0°	90.0°
O45	C46	H463	H462	120.0°	90.0°
O45	C46	H461	H462	120.0°	90.0°
O45	C44	C47	C43	179.7°	90.0°
O45	C44	C43	O48	0.1°	90.0°
O45	C44	C47	C38	179.9°	90.0°
C44	O45	C46	H463	180.0°	90.0°
C44	O45	C46	H461	60.0°	90.0°
C44	O45	C46	H462	60.0°	90.0°
O45	C44	C47	H471	0.1°	90.0°
C47	C44	C43	O48	179.5°	90.0°
C44	C47	C38	C37	179.8°	90.0°
C44	C47	C38	H471	180.0°	90.0°
C44	C43	O48	C49	106.5°	90.0°
C43	C44	C47	C38	0.2°	90.0°
C43	C44	C47	H471	179.8°	90.0°
C43	O48	C49	H491	180.0°	90.0°
C43	O48	C49	H493	60.0°	90.0°
C43	O48	C49	H492	60.0°	90.0°
O48	C49	H491	H493	120.0°	90.0°
O48	C49	H491	H492	120.0°	90.0°
O48	C49	H493	H492	120.0°	90.0°
C37	C38	C39	H391	0.1°	90.0°
C37	C38	C47	H471	0.2°	90.0°
O50	C37	C38	C47	154.4°	90.0°
O22	C21	O51	C20	179.9°	90.0°
O22	C21	C20	C52	21.7°	90.0°
C21	O22	C23	H231	178.8°	90.0°
C21	O22	C23	H232	59.0°	90.0°
O51	C21	C20	C52	158.4°	90.0°
C21	C20	C52	C03	179.9°	90.0°
C21	C20	C19	H191	0.4°	90.0°
C21	C20	C52	H521	0.1°	90.0°
C20	C52	C03	H521	180.0°	90.0°
C52	C20	C19	H191	179.2°	90.0°
C10	C18	C17	H171	179.8°	90.0°
C18	C10	C11	H111	179.7°	90.0°
C18	C10	C09	H091	75.5°	90.0°
C18	C10	C09	H092	45.4°	90.0°
C32	N26	C25	H251	101.2°	90.0°
C32	N26	C25	H252	18.9°	90.0°
C32	N26	C27	H272	151.5°	90.0°
C32	N26	C27	H271	32.4°	90.0°
N26	C32	C31	H311	71.8°	90.0°
N26	C32	C31	H312	169.5°	90.0°
N26	C32	H321	H322	117.0°	90.0°
C47	C38	C39	H391	179.9°	90.0°
O15	N14	O16	H3	0.0°	90.0°
H171	C17	C18	H181	0.3°	90.0°
H013	C01	H011	H012	120.0°	90.0°
H063	C06	H061	H062	120.0°	90.0°
H111	C11	C12	H121	0.2°	90.0°
H231	C23	C24	H241	179.1°	90.0°
H231	C23	C24	H242	58.6°	90.0°
H232	C23	C24	H241	61.1°	90.0°
H232	C23	C24	H242	178.3°	90.0°
H241	C24	C25	H251	55.0°	90.0°
H241	C24	C25	H252	175.1°	90.0°
H242	C24	C25	H251	65.5°	90.0°
H242	C24	C25	H252	54.6°	90.0°
H272	C27	C28	H282	70.9°	90.0°
H272	C27	C28	H281	47.7°	90.0°
H271	C27	C28	H282	170.0°	90.0°
H271	C27	C28	H281	71.4°	90.0°
H282	C28	C29	H291	49.0°	90.0°
H282	C28	C29	H292	167.6°	90.0°
H281	C28	C29	H291	69.6°	90.0°
H281	C28	C29	H292	49.0°	90.0°
H311	C31	C32	H321	167.2°	90.0°
H311	C31	C32	H322	49.1°	90.0°
H312	C31	C32	H321	48.5°	90.0°
H312	C31	C32	H322	69.5°	90.0°
H331	C33	C34	H341	156.9°	90.0°
H331	C33	C34	H342	37.2°	90.0°
H332	C33	C34	H341	83.7°	90.0°
H332	C33	C34	H342	156.6°	90.0°
H341	C34	C35	H352	102.6°	90.0°
H341	C34	C35	H351	137.0°	90.0°
H342	C34	C35	H352	17.1°	90.0°
H342	C34	C35	H351	103.3°	90.0°
H421	C42	H422	H423	120.0°	90.0°
H463	C46	H461	H462	120.0°	90.0°
H491	C49	H493	H492	120.0°	90.0°

Release date:	2024-08-28
Definition date:	2023-08-28
Last modified:	2024-08-23
Release status:	REL
Processing site:	RCSB
Derived from:	8TZI