OXN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C1	sing	1.56Å	1.52Å
C5	C6	sing	1.57Å	1.56Å
C5	H51	sing	1.10Å	1.10Å
C5	H52	sing	1.10Å	1.10Å
C1	C3	sing	1.55Å	1.53Å
C1	C4	sing	1.54Å	1.53Å
C1	C2	sing	1.53Å	1.54Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.10Å	1.10Å
C3	H33	sing	1.10Å	1.10Å
C4	H41	sing	1.10Å	1.10Å
C4	H42	sing	1.10Å	1.10Å
C4	H43	sing	1.09Å	1.10Å
C2	H21	sing	1.10Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C2	H23	sing	1.09Å	1.10Å
C6	C9	sing	1.54Å	1.55Å
C6	C8	sing	1.56Å	1.52Å
C6	C7	sing	1.54Å	1.53Å
C9	C10	doub	1.37Å	1.44Å	Aromatic
C9	C14	sing	1.37Å	1.43Å	Aromatic
C8	H81	sing	1.10Å	1.10Å
C8	H82	sing	1.10Å	1.10Å
C8	H83	sing	1.10Å	1.10Å
C7	H71	sing	1.10Å	1.10Å
C7	H72	sing	1.10Å	1.10Å
C7	H73	sing	1.09Å	1.10Å
C10	C11	sing	1.39Å	1.44Å	Aromatic
C10	H10	sing	1.09Å	1.08Å
C11	C12	doub	1.39Å	1.41Å	Aromatic
C11	H11	sing	1.09Å	1.08Å
C12	C13	sing	1.39Å	1.40Å	Aromatic
C12	O15	sing	1.36Å	1.45Å
C13	C14	doub	1.39Å	1.45Å	Aromatic
C13	H13	sing	1.09Å	1.08Å
C14	H14	sing	1.09Å	1.08Å
O15	C16	sing	1.43Å	1.43Å
C16	C17	sing	1.52Å	1.52Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C17	O18	sing	1.42Å	1.43Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
O18	C19	sing	1.42Å	1.43Å
C19	C20	sing	1.52Å	1.52Å
C19	H191	sing	1.10Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C20	O21	sing	1.42Å	1.43Å
C20	H201	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
O21	C22	sing	1.42Å	1.43Å
C22	C23	sing	1.52Å	1.53Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C23	O24	sing	1.42Å	1.43Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
O24	C25	sing	1.42Å	1.43Å
C25	C26	sing	1.52Å	57.76Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C26	O27	sing	1.42Å	0.00Å
C26	H261	sing	1.09Å	0.00Å
C26	H262	sing	1.09Å	0.00Å
O27	C28	sing	1.42Å	0.00Å
C28	C29	sing	1.52Å	0.00Å
C28	H281	sing	1.09Å	0.00Å
C28	H282	sing	1.09Å	0.00Å
C29	O30	sing	1.42Å	0.00Å
C29	H291	sing	1.09Å	0.00Å
C29	H292	sing	1.09Å	0.00Å
O30	C31	sing	1.42Å	0.00Å
C31	C32	sing	1.52Å	0.00Å
C31	H311	sing	1.09Å	0.00Å
C31	H312	sing	1.09Å	0.00Å
C32	O33	sing	1.42Å	0.00Å
C32	H321	sing	1.09Å	0.00Å
C32	H322	sing	1.09Å	0.00Å
O33	C34	sing	1.42Å	0.00Å
C34	C35	sing	1.52Å	0.00Å
C34	H341	sing	1.10Å	0.00Å
C34	H342	sing	1.09Å	0.00Å
C35	O36	sing	1.42Å	0.00Å
C35	H351	sing	1.09Å	0.00Å
C35	H352	sing	1.09Å	0.00Å
O36	C37	sing	1.42Å	0.00Å
C37	C38	sing	1.52Å	0.00Å
C37	H371	sing	1.09Å	0.00Å
C37	H372	sing	1.09Å	0.00Å
C38	O39	sing	1.42Å	0.00Å
C38	H381	sing	1.09Å	0.00Å
C38	H382	sing	1.09Å	0.00Å
O39	C40	sing	1.42Å	0.00Å
C40	C41	sing	1.52Å	0.00Å
C40	H401	sing	1.09Å	0.00Å
C40	H402	sing	1.09Å	0.00Å
C41	O42	sing	1.42Å	0.00Å
C41	H411	sing	1.09Å	0.00Å
C41	H412	sing	1.09Å	0.00Å
O42	C43	sing	1.42Å	0.00Å
C43	C44	sing	1.52Å	0.00Å
C43	H431	sing	1.09Å	0.00Å
C43	H432	sing	1.09Å	0.00Å
C44	O45	sing	1.42Å	0.00Å
C44	H441	sing	1.09Å	0.00Å
C44	H442	sing	1.09Å	0.00Å
O45	H45	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C5	C6	138.0°	122.5°
C1	C5	H51	100.9°	106.5°
C1	C5	H52	94.5°	107.5°
C5	C1	C3	110.7°	107.1°
C5	C1	C4	107.1°	111.9°
C5	C1	C2	117.8°	114.0°
C6	C5	H51	100.9°	107.3°
C6	C5	H52	94.5°	107.8°
C5	C6	C9	111.8°	113.0°
C5	C6	C8	111.1°	106.9°
C5	C6	C7	108.7°	110.5°
H51	C5	H52	135.6°	103.7°
C3	C1	C4	106.6°	106.7°
C3	C1	C2	106.9°	107.7°
C1	C3	H31	109.5°	111.2°
C1	C3	H32	109.4°	111.1°
C1	C3	H33	109.5°	111.4°
C4	C1	C2	107.2°	109.2°
C1	C4	H41	109.5°	111.3°
C1	C4	H42	109.5°	110.9°
C1	C4	H43	109.4°	112.6°
C1	C2	H21	109.5°	110.9°
C1	C2	H22	109.5°	111.4°
C1	C2	H23	109.4°	111.9°
H31	C3	H32	109.5°	107.9°
H31	C3	H33	109.4°	107.5°
H32	C3	H33	109.5°	107.6°
H41	C4	H42	109.4°	107.3°
H41	C4	H43	109.5°	108.0°
H42	C4	H43	109.5°	106.4°
H21	C2	H22	109.5°	107.0°
H21	C2	H23	109.5°	106.6°
H22	C2	H23	109.5°	108.8°
C9	C6	C8	109.8°	106.5°
C9	C6	C7	108.4°	113.8°
C6	C9	C10	120.8°	118.2°
C6	C9	C14	121.1°	118.2°
C8	C6	C7	106.8°	105.6°
C6	C8	H81	109.5°	112.1°
C6	C8	H82	109.5°	111.4°
C6	C8	H83	109.4°	111.1°
C6	C7	H71	109.5°	111.4°
C6	C7	H72	109.5°	111.2°
C6	C7	H73	109.4°	112.3°
C10	C9	C14	118.2°	123.7°
C9	C10	C11	121.4°	118.1°
C9	C10	H10	119.3°	122.3°
C9	C14	C13	121.3°	118.2°
C9	C14	H14	119.3°	122.3°
H81	C8	H82	109.5°	107.4°
H81	C8	H83	109.4°	107.1°
H82	C8	H83	109.5°	107.5°
H71	C7	H72	109.4°	106.8°
H71	C7	H73	109.4°	106.8°
H72	C7	H73	109.5°	108.1°
C11	C10	H10	119.3°	119.5°
C10	C11	C12	117.1°	120.0°
C10	C11	H11	121.4°	119.6°
C12	C11	H11	121.4°	120.3°
C11	C12	C13	124.8°	120.0°
C11	C12	O15	118.1°	120.0°
C13	C12	O15	117.0°	120.0°
C12	C13	C14	117.1°	120.0°
C12	C13	H13	121.4°	120.3°
C12	O15	C16	113.9°	117.0°
C14	C13	H13	121.4°	119.7°
C13	C14	H14	119.3°	119.5°
O15	C16	C17	109.9°	109.0°
O15	C16	H161	109.3°	108.2°
O15	C16	H162	109.2°	108.3°
C17	C16	H161	109.3°	111.1°
C17	C16	H162	109.2°	110.5°
C16	C17	O18	110.6°	109.0°
C16	C17	H171	109.1°	111.1°
C16	C17	H172	108.9°	110.5°
H161	C16	H162	109.8°	109.7°
O18	C17	H171	109.1°	108.1°
O18	C17	H172	108.9°	108.3°
C17	O18	C19	111.6°	111.5°
H171	C17	H172	110.3°	109.7°
O18	C19	C20	110.3°	109.1°
O18	C19	H191	109.2°	108.2°
O18	C19	H192	109.0°	108.3°
C20	C19	H191	109.2°	111.1°
C20	C19	H192	109.0°	110.5°
C19	C20	O21	110.3°	109.1°
C19	C20	H201	109.2°	111.2°
C19	C20	H202	109.0°	110.5°
H191	C19	H192	110.2°	109.7°
O21	C20	H201	109.2°	108.1°
O21	C20	H202	109.0°	108.2°
C20	O21	C22	112.4°	111.5°
H201	C20	H202	110.2°	109.6°
O21	C22	C23	110.1°	109.0°
O21	C22	H221	109.2°	108.1°
O21	C22	H222	109.1°	108.2°
C23	C22	H221	109.2°	111.1°
C23	C22	H222	109.1°	110.5°
C22	C23	O24	110.1°	109.1°
C22	C23	H231	109.2°	111.1°
C22	C23	H232	109.1°	110.5°
H221	C22	H222	110.0°	109.8°
O24	C23	H231	109.3°	108.2°
O24	C23	H232	109.1°	108.3°
C23	O24	C25	112.1°	111.5°
H231	C23	H232	110.0°	109.6°
O24	C25	C26	53.0°	109.1°
O24	C25	H251	135.1°	108.1°
O24	C25	H252	139.8°	108.3°
C26	C25	H251	135.1°	111.1°
C26	C25	H252	139.8°	110.5°
C25	C26	O27	90.0°	109.0°
C25	C26	H261	90.0°	111.2°
C25	C26	H262	90.0°	110.5°
H251	C25	H252	69.1°	109.7°
O27	C26	H261	90.0°	108.1°
O27	C26	H262	90.0°	108.2°
C26	O27	C28	90.0°	111.5°
H261	C26	H262	90.0°	109.7°
O27	C28	C29	90.0°	109.1°
O27	C28	H281	90.0°	108.2°
O27	C28	H282	90.0°	108.3°
C29	C28	H281	90.0°	111.1°
C29	C28	H282	90.0°	110.4°
C28	C29	O30	90.0°	109.0°
C28	C29	H291	90.0°	111.1°
C28	C29	H292	90.0°	110.5°
H281	C28	H282	90.0°	109.7°
O30	C29	H291	90.0°	108.2°
O30	C29	H292	90.0°	108.3°
C29	O30	C31	90.0°	111.5°
H291	C29	H292	90.0°	109.7°
O30	C31	C32	90.0°	109.0°
O30	C31	H311	90.0°	108.2°
O30	C31	H312	90.0°	108.3°
C32	C31	H311	90.0°	111.1°
C32	C31	H312	90.0°	110.5°
C31	C32	O33	90.0°	109.0°
C31	C32	H321	90.0°	111.2°
C31	C32	H322	90.0°	110.5°
H311	C31	H312	90.0°	109.7°
O33	C32	H321	90.0°	108.2°
O33	C32	H322	90.0°	108.2°
C32	O33	C34	90.0°	111.5°
H321	C32	H322	90.0°	109.7°
O33	C34	C35	90.0°	109.1°
O33	C34	H341	90.0°	108.1°
O33	C34	H342	90.0°	108.3°
C35	C34	H341	90.0°	111.1°
C35	C34	H342	90.0°	110.5°
C34	C35	O36	90.0°	109.0°
C34	C35	H351	90.0°	111.2°
C34	C35	H352	90.0°	110.5°
H341	C34	H342	90.0°	109.7°
O36	C35	H351	90.0°	108.1°
O36	C35	H352	90.0°	108.2°
C35	O36	C37	90.0°	111.5°
H351	C35	H352	90.0°	109.7°
O36	C37	C38	90.0°	109.0°
O36	C37	H371	90.0°	108.2°
O36	C37	H372	90.0°	108.3°
C38	C37	H371	90.0°	111.1°
C38	C37	H372	90.0°	110.5°
C37	C38	O39	90.0°	109.0°
C37	C38	H381	90.0°	111.1°
C37	C38	H382	90.0°	110.5°
H371	C37	H372	90.0°	109.7°
O39	C38	H381	90.0°	108.1°
O39	C38	H382	90.0°	108.3°
C38	O39	C40	90.0°	111.5°
H381	C38	H382	90.0°	109.7°
O39	C40	C41	90.0°	109.1°
O39	C40	H401	90.0°	108.2°
O39	C40	H402	90.0°	108.3°
C41	C40	H401	90.0°	111.1°
C41	C40	H402	90.0°	110.4°
C40	C41	O42	90.0°	109.0°
C40	C41	H411	90.0°	111.1°
C40	C41	H412	90.0°	110.5°
H401	C40	H402	90.0°	109.7°
O42	C41	H411	90.0°	108.2°
O42	C41	H412	90.0°	108.2°
C41	O42	C43	90.0°	111.5°
H411	C41	H412	90.0°	109.8°
O42	C43	C44	90.0°	109.0°
O42	C43	H431	90.0°	108.1°
O42	C43	H432	90.0°	108.3°
C44	C43	H431	90.0°	111.2°
C44	C43	H432	90.0°	110.5°
C43	C44	O45	90.0°	109.1°
C43	C44	H441	90.0°	111.1°
C43	C44	H442	90.0°	110.5°
H431	C43	H432	90.0°	109.7°
O45	C44	H441	90.0°	108.1°
O45	C44	H442	90.0°	108.3°
C44	O45	H45	90.0°	106.7°
H441	C44	H442	90.0°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C5	C6	H51	120.0°	123.5°
C1	C5	C6	H52	101.9°	125.4°
C1	C5	H51	H52	108.1°	113.2°
C5	C1	C3	C4	116.2°	120.0°
C5	C1	C3	C2	129.4°	122.9°
C5	C1	C4	C2	127.3°	127.1°
C5	C1	C3	H31	176.5°	62.2°
C5	C1	C3	H32	63.5°	58.0°
C5	C1	C3	H33	56.5°	178.0°
C5	C1	C4	H41	23.9°	49.5°
C5	C1	C4	H42	143.9°	168.9°
C5	C1	C4	H43	96.1°	71.9°
C5	C1	C2	H21	160.8°	174.2°
C5	C1	C2	H22	79.2°	55.1°
C5	C1	C2	H23	40.8°	66.9°
C1	C5	C6	C9	51.9°	56.5°
C1	C5	C6	C8	71.2°	173.3°
C1	C5	C6	C7	171.5°	72.3°
C6	C5	H51	H52	108.0°	113.9°
C6	C5	C1	C3	171.6°	176.2°
C6	C5	C1	C4	72.5°	67.3°
C6	C5	C1	C2	48.3°	57.2°
C5	C6	C9	C8	123.8°	117.1°
C5	C6	C9	C7	119.9°	127.0°
C5	C6	C8	C7	118.4°	117.7°
C5	C6	C9	C10	71.7°	57.1°
C5	C6	C9	C14	107.3°	122.9°
C5	C6	C8	H81	176.9°	57.0°
C5	C6	C8	H82	56.8°	177.4°
C5	C6	C8	H83	63.1°	62.8°
C5	C6	C7	H71	17.3°	167.5°
C5	C6	C7	H72	137.3°	48.5°
C5	C6	C7	H73	102.7°	72.8°
H51	C5	C1	C3	68.4°	60.0°
H51	C5	C1	C4	47.4°	56.6°
H51	C5	C1	C2	168.3°	178.9°
H51	C5	C6	C9	171.9°	180.0°
H51	C5	C6	C8	48.8°	63.2°
H51	C5	C6	C7	68.5°	51.2°
H52	C5	C1	C3	69.7°	50.7°
H52	C5	C1	C4	174.4°	167.2°
H52	C5	C1	C2	53.6°	68.3°
H52	C5	C6	C9	49.9°	68.8°
H52	C5	C6	C8	173.1°	48.0°
H52	C5	C6	C7	69.7°	162.4°
C3	C1	C4	C2	114.2°	116.1°
C1	C3	H31	H32	120.0°	122.1°
C1	C3	H31	H33	120.0°	122.1°
C1	C3	H32	H33	120.0°	122.2°
C3	C1	C4	H41	142.4°	67.3°
C3	C1	C4	H42	97.6°	52.1°
C3	C1	C4	H43	22.4°	171.3°
C3	C1	C2	H21	35.5°	55.6°
C3	C1	C2	H22	155.5°	63.5°
C3	C1	C2	H23	84.4°	174.5°
C4	C1	C3	H31	60.3°	177.8°
C4	C1	C3	H32	179.6°	62.0°
C4	C1	C3	H33	59.6°	58.0°
C1	C4	H41	H42	120.0°	121.5°
C1	C4	H41	H43	120.0°	124.1°
C1	C4	H42	H43	120.0°	122.9°
C4	C1	C2	H21	78.5°	59.9°
C4	C1	C2	H22	41.5°	179.0°
C4	C1	C2	H23	161.5°	59.0°
C2	C1	C3	H31	54.1°	60.7°
C2	C1	C3	H32	65.9°	179.1°
C2	C1	C3	H33	174.0°	59.1°
C2	C1	C4	H41	103.4°	176.6°
C2	C1	C4	H42	16.6°	64.0°
C2	C1	C4	H43	136.6°	55.2°
C1	C2	H21	H22	120.0°	121.7°
C1	C2	H21	H23	120.0°	122.0°
C1	C2	H22	H23	120.0°	123.8°
H31	C3	H32	H33	120.0°	115.7°
H41	C4	H42	H43	120.0°	115.4°
H21	C2	H22	H23	120.0°	114.8°
C9	C6	C8	C7	117.3°	121.3°
C6	C9	C10	C14	179.0°	180.0°
C9	C6	C8	H81	52.6°	64.0°
C9	C6	C8	H82	67.4°	56.4°
C9	C6	C8	H83	172.6°	176.2°
C9	C6	C7	H71	104.5°	64.2°
C9	C6	C7	H72	15.5°	176.8°
C9	C6	C7	H73	135.6°	55.6°
C6	C9	C10	C11	179.1°	180.0°
C6	C9	C10	H10	0.9°	0.1°
C6	C9	C14	C13	179.1°	180.0°
C6	C9	C14	H14	0.9°	0.1°
C8	C6	C9	C10	164.4°	60.0°
C8	C6	C9	C14	16.6°	120.0°
C6	C8	H81	H82	120.0°	122.6°
C6	C8	H81	H83	120.0°	122.1°
C6	C8	H82	H83	120.0°	121.9°
C8	C6	C7	H71	137.2°	52.2°
C8	C6	C7	H72	102.8°	66.8°
C8	C6	C7	H73	17.3°	172.0°
C7	C6	C9	C10	48.1°	175.9°
C7	C6	C9	C14	132.9°	4.1°
C7	C6	C8	H81	64.7°	174.7°
C7	C6	C8	H82	175.3°	64.9°
C7	C6	C8	H83	55.3°	54.9°
C6	C7	H71	H72	120.0°	121.6°
C6	C7	H71	H73	120.0°	123.0°
C6	C7	H72	H73	120.0°	123.6°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.1°	0.1°
C9	C10	C11	H11	179.9°	180.0°
C10	C9	C14	C13	0.1°	0.0°
C10	C9	C14	H14	179.9°	179.9°
C14	C9	C10	C11	0.1°	0.0°
C14	C9	C10	H10	179.9°	179.9°
C9	C14	C13	C12	0.1°	0.0°
C9	C14	C13	H14	180.0°	179.9°
C9	C14	C13	H13	179.9°	179.9°
H81	C8	H82	H83	120.0°	115.0°
H71	C7	H72	H73	120.0°	114.6°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	0.2°	0.0°
C10	C11	C12	O15	175.9°	179.9°
H10	C10	C11	C12	179.9°	180.0°
H10	C10	C11	H11	0.1°	0.1°
C11	C12	C13	O15	176.2°	179.9°
C11	C12	C13	C14	0.3°	0.0°
C11	C12	C13	H13	179.7°	180.0°
C11	C12	O15	C16	55.3°	30.0°
H11	C11	C12	C13	179.7°	180.0°
H11	C11	C12	O15	4.1°	0.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	H14	179.9°	179.9°
C13	C12	O15	C16	128.2°	150.1°
O15	C12	C13	C14	175.9°	179.9°
O15	C12	C13	H13	4.1°	0.0°
C12	O15	C16	C17	146.7°	149.1°
C12	O15	C16	H161	26.7°	90.0°
C12	O15	C16	H162	93.4°	28.8°
H13	C13	C14	H14	0.1°	0.0°
O15	C16	C17	H161	120.0°	119.1°
O15	C16	C17	H162	119.8°	118.9°
O15	C16	H161	H162	119.8°	117.9°
O15	C16	C17	O18	91.6°	60.9°
O15	C16	C17	H171	28.4°	180.0°
O15	C16	C17	H172	148.9°	58.0°
C17	C16	H161	H162	119.8°	122.5°
C16	C17	O18	H171	120.0°	120.9°
C16	C17	O18	H172	119.6°	120.3°
C16	C17	H171	H172	119.6°	122.5°
C16	C17	O18	C19	170.2°	180.0°
H161	C16	C17	O18	148.4°	180.0°
H161	C16	C17	H171	91.6°	60.9°
H161	C16	C17	H172	28.8°	61.1°
H162	C16	C17	O18	28.2°	58.0°
H162	C16	C17	H171	148.2°	61.1°
H162	C16	C17	H172	91.3°	176.9°
O18	C17	H171	H172	119.6°	117.9°
C17	O18	C19	C20	147.0°	179.1°
C17	O18	C19	H191	93.0°	60.0°
C17	O18	C19	H192	27.4°	58.8°
H171	C17	O18	C19	50.2°	59.1°
H172	C17	O18	C19	70.3°	59.7°
O18	C19	C20	H191	120.0°	119.2°
O18	C19	C20	H192	119.6°	118.9°
O18	C19	H191	H192	119.6°	117.9°
O18	C19	C20	O21	92.3°	60.8°
O18	C19	C20	H201	27.7°	180.0°
O18	C19	C20	H202	148.1°	58.0°
C20	C19	H191	H192	119.7°	122.4°
C19	C20	O21	H201	120.0°	121.0°
C19	C20	O21	H202	119.6°	120.3°
C19	C20	H201	H202	119.6°	122.5°
C19	C20	O21	C22	155.3°	180.0°
H191	C19	C20	O21	147.8°	180.0°
H191	C19	C20	H201	92.2°	60.9°
H191	C19	C20	H202	28.1°	61.2°
H192	C19	C20	O21	27.4°	58.1°
H192	C19	C20	H201	147.4°	61.1°
H192	C19	C20	H202	92.3°	176.9°
O21	C20	H201	H202	119.7°	117.8°
C20	O21	C22	C23	172.7°	179.0°
C20	O21	C22	H221	52.7°	60.0°
C20	O21	C22	H222	67.6°	58.8°
H201	C20	O21	C22	84.7°	59.0°
H202	C20	O21	C22	35.7°	59.7°
O21	C22	C23	H221	120.0°	119.0°
O21	C22	C23	H222	119.7°	118.8°
O21	C22	H221	H222	119.7°	117.8°
O21	C22	C23	O24	85.0°	59.1°
O21	C22	C23	H231	155.0°	60.1°
O21	C22	C23	H232	34.7°	178.0°
C23	C22	H221	H222	119.7°	122.6°
C22	C23	O24	H231	120.0°	121.0°
C22	C23	O24	H232	119.7°	120.3°
C22	C23	H231	H232	119.7°	122.4°
C22	C23	O24	C25	162.0°	180.0°
H221	C22	C23	O24	35.0°	59.9°
H221	C22	C23	H231	85.0°	179.1°
H221	C22	C23	H232	154.7°	59.0°
H222	C22	C23	O24	155.3°	178.0°
H222	C22	C23	H231	35.3°	58.8°
H222	C22	C23	H232	85.0°	63.1°
O24	C23	H231	H232	119.8°	117.9°
C23	O24	C25	C26	84.1°	179.0°
C23	O24	C25	H251	155.9°	60.0°
C23	O24	C25	H252	42.1°	58.8°
H231	C23	O24	C25	42.0°	59.0°
H232	C23	O24	C25	78.3°	59.7°
O24	C25	C26	H251	120.0°	119.1°
O24	C25	C26	H252	126.1°	118.9°
O24	C25	H251	H252	140.8°	117.9°
O24	C25	C26	O27	90.0°	60.9°
O24	C25	C26	H261	90.0°	180.0°
O24	C25	C26	H262	90.0°	58.0°
C26	C25	H251	H252	140.8°	122.5°
C25	C26	O27	H261	90.0°	121.0°
C25	C26	O27	H262	90.0°	120.3°
C25	C26	H261	H262	90.0°	122.5°
C25	C26	O27	C28	90.0°	180.0°
H251	C25	C26	O27	90.0°	180.0°
H251	C25	C26	H261	90.0°	60.9°
H251	C25	C26	H262	90.0°	61.2°
H252	C25	C26	O27	90.0°	58.0°
H252	C25	C26	H261	90.0°	61.1°
H252	C25	C26	H262	90.0°	176.9°
O27	C26	H261	H262	90.0°	117.8°
C26	O27	C28	C29	90.0°	179.0°
C26	O27	C28	H281	90.0°	60.0°
C26	O27	C28	H282	90.0°	58.8°
H261	C26	O27	C28	90.0°	59.0°
H262	C26	O27	C28	90.0°	59.7°
O27	C28	C29	H281	90.0°	119.2°
O27	C28	C29	H282	90.0°	118.9°
O27	C28	H281	H282	90.0°	117.9°
O27	C28	C29	O30	90.0°	60.9°
O27	C28	C29	H291	90.0°	180.0°
O27	C28	C29	H292	90.0°	58.0°
C29	C28	H281	H282	90.0°	122.4°
C28	C29	O30	H291	90.0°	121.0°
C28	C29	O30	H292	90.0°	120.2°
C28	C29	H291	H292	90.0°	122.4°
C28	C29	O30	C31	90.0°	180.0°
H281	C28	C29	O30	90.0°	180.0°
H281	C28	C29	H291	90.0°	60.8°
H281	C28	C29	H292	90.0°	61.2°
H282	C28	C29	O30	90.0°	58.0°
H282	C28	C29	H291	90.0°	61.2°
H282	C28	C29	H292	90.0°	176.8°
O30	C29	H291	H292	90.0°	117.9°
C29	O30	C31	C32	90.0°	180.0°
C29	O30	C31	H311	90.0°	59.1°
C29	O30	C31	H312	90.0°	59.8°
H291	C29	O30	C31	90.0°	59.0°
H292	C29	O30	C31	90.0°	59.7°
O30	C31	C32	H311	90.0°	119.1°
O30	C31	C32	H312	90.0°	118.8°
O30	C31	H311	H312	90.0°	117.9°
O30	C31	C32	O33	90.0°	59.2°
O30	C31	C32	H321	90.0°	60.0°
O30	C31	C32	H322	90.0°	178.0°
C32	C31	H311	H312	90.0°	122.5°
C31	C32	O33	H321	90.0°	121.0°
C31	C32	O33	H322	90.0°	120.2°
C31	C32	H321	H322	90.0°	122.5°
C31	C32	O33	C34	90.0°	179.0°
H311	C31	C32	O33	90.0°	59.9°
H311	C31	C32	H321	90.0°	179.1°
H311	C31	C32	H322	90.0°	58.8°
H312	C31	C32	O33	90.0°	178.0°
H312	C31	C32	H321	90.0°	58.8°
H312	C31	C32	H322	90.0°	63.2°
O33	C32	H321	H322	90.0°	117.8°
C32	O33	C34	C35	90.0°	180.0°
C32	O33	C34	H341	90.0°	59.1°
C32	O33	C34	H342	90.0°	59.7°
H321	C32	O33	C34	90.0°	59.9°
H322	C32	O33	C34	90.0°	58.8°
O33	C34	C35	H341	90.0°	119.1°
O33	C34	C35	H342	90.0°	118.9°
O33	C34	H341	H342	90.0°	117.9°
O33	C34	C35	O36	90.0°	60.9°
O33	C34	C35	H351	90.0°	180.0°
O33	C34	C35	H352	90.0°	57.9°
C35	C34	H341	H342	90.0°	122.4°
C34	C35	O36	H351	90.0°	121.0°
C34	C35	O36	H352	90.0°	120.2°
C34	C35	H351	H352	90.0°	122.5°
C34	C35	O36	C37	90.0°	179.0°
H341	C34	C35	O36	90.0°	180.0°
H341	C34	C35	H351	90.0°	60.9°
H341	C34	C35	H352	90.0°	61.2°
H342	C34	C35	O36	90.0°	58.1°
H342	C34	C35	H351	90.0°	61.1°
H342	C34	C35	H352	90.0°	176.8°
O36	C35	H351	H352	90.0°	117.8°
C35	O36	C37	C38	90.0°	180.0°
C35	O36	C37	H371	90.0°	59.1°
C35	O36	C37	H372	90.0°	59.8°
H351	C35	O36	C37	90.0°	60.0°
H352	C35	O36	C37	90.0°	58.8°
O36	C37	C38	H371	90.0°	119.1°
O36	C37	C38	H372	90.0°	118.9°
O36	C37	H371	H372	90.0°	117.9°
O36	C37	C38	O39	90.0°	60.9°
O36	C37	C38	H381	90.0°	180.0°
O36	C37	C38	H382	90.0°	58.0°
C38	C37	H371	H372	90.0°	122.4°
C37	C38	O39	H381	90.0°	121.0°
C37	C38	O39	H382	90.0°	120.3°
C37	C38	H381	H382	90.0°	122.5°
C37	C38	O39	C40	90.0°	179.0°
H371	C37	C38	O39	90.0°	180.0°
H371	C37	C38	H381	90.0°	60.9°
H371	C37	C38	H382	90.0°	61.1°
H372	C37	C38	O39	90.0°	58.0°
H372	C37	C38	H381	90.0°	61.1°
H372	C37	C38	H382	90.0°	176.9°
O39	C38	H381	H382	90.0°	117.9°
C38	O39	C40	C41	90.0°	180.0°
C38	O39	C40	H401	90.0°	59.0°
C38	O39	C40	H402	90.0°	59.8°
H381	C38	O39	C40	90.0°	60.0°
H382	C38	O39	C40	90.0°	58.7°
O39	C40	C41	H401	90.0°	119.2°
O39	C40	C41	H402	90.0°	118.8°
O39	C40	H401	H402	90.0°	117.9°
O39	C40	C41	O42	90.0°	59.2°
O39	C40	C41	H411	90.0°	59.9°
O39	C40	C41	H412	90.0°	178.0°
C41	C40	H401	H402	90.0°	122.4°
C40	C41	O42	H411	90.0°	120.9°
C40	C41	O42	H412	90.0°	120.2°
C40	C41	H411	H412	90.0°	122.5°
C40	C41	O42	C43	90.0°	179.1°
H401	C40	C41	O42	90.0°	60.0°
H401	C40	C41	H411	90.0°	179.1°
H401	C40	C41	H412	90.0°	58.8°
H402	C40	C41	O42	90.0°	178.0°
H402	C40	C41	H411	90.0°	58.9°
H402	C40	C41	H412	90.0°	63.2°
O42	C41	H411	H412	90.0°	117.9°
C41	O42	C43	C44	90.0°	180.0°
C41	O42	C43	H431	90.0°	59.0°
C41	O42	C43	H432	90.0°	59.7°
H411	C41	O42	C43	90.0°	60.0°
H412	C41	O42	C43	90.0°	58.9°
O42	C43	C44	H431	90.0°	119.1°
O42	C43	C44	H432	90.0°	118.8°
O42	C43	H431	H432	90.0°	117.8°
O42	C43	C44	O45	90.0°	60.9°
O42	C43	C44	H441	90.0°	180.0°
O42	C43	C44	H442	90.0°	58.0°
C44	C43	H431	H432	90.0°	122.5°
C43	C44	O45	H441	90.0°	120.9°
C43	C44	O45	H442	90.0°	120.3°
C43	C44	H441	H442	90.0°	122.4°
C43	C44	O45	H45	90.0°	156.0°
H431	C43	C44	O45	90.0°	180.0°
H431	C43	C44	H441	90.0°	60.9°
H431	C43	C44	H442	90.0°	61.1°
H432	C43	C44	O45	90.0°	57.9°
H432	C43	C44	H441	90.0°	61.2°
H432	C43	C44	H442	90.0°	176.9°
O45	C44	H441	H442	90.0°	117.9°
H441	C44	O45	H45	90.0°	35.0°
H442	C44	O45	H45	90.0°	83.7°

Definition date:	2001-05-14
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1IKT