MVD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	0.00Å	1.44Å
O3	HO3	sing	0.00Å	0.95Å
O25	C25	sing	0.00Å	1.41Å
O25	H25	sing	0.00Å	0.95Å
C1	C2	sing	0.00Å	1.60Å
C1	C10	sing	0.00Å	1.59Å
C1	O1	sing	0.00Å	1.47Å
C1	H1	sing	0.00Å	1.10Å
C2	C3	sing	0.00Å	1.61Å
C2	C28	sing	0.00Å	1.59Å
C2	H2	sing	0.00Å	1.10Å
C3	C4	sing	0.00Å	1.59Å
C3	H3	sing	0.00Å	1.10Å
C4	C5	sing	0.00Å	1.55Å
C4	H41	sing	0.00Å	1.10Å
C4	H42	sing	0.00Å	1.10Å
C5	C6	doub	0.00Å	1.41Å
C5	C10	sing	0.00Å	1.60Å
C6	C7	sing	0.00Å	1.49Å
C6	H6	sing	0.00Å	1.08Å
C7	C8	doub	0.00Å	1.30Å
C7	H7	sing	0.00Å	1.08Å
C8	C9	sing	0.00Å	1.62Å
C8	C14	sing	0.00Å	1.54Å
C9	C11	sing	0.00Å	1.64Å
C9	H91	sing	0.00Å	1.10Å
C9	H92	sing	0.00Å	1.10Å
C10	C19	doub	0.00Å	1.40Å
C11	C12	sing	0.00Å	1.62Å
C11	H111	sing	0.00Å	1.10Å
C11	H112	sing	0.00Å	1.10Å
C12	C13	sing	0.00Å	1.68Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C13	C14	sing	0.00Å	1.65Å
C13	C17	sing	0.00Å	1.54Å
C13	C18	sing	0.00Å	1.72Å
C14	C15	sing	0.00Å	1.69Å
C14	H14	sing	0.00Å	1.10Å
C15	C16	sing	0.00Å	1.59Å
C15	H151	sing	0.00Å	1.10Å
C15	H152	sing	0.00Å	1.10Å
C16	C17	sing	0.00Å	1.57Å
C16	H161	sing	0.00Å	1.10Å
C16	H162	sing	0.00Å	1.10Å
C17	C20	sing	0.00Å	1.65Å
C17	H17	sing	0.00Å	1.10Å
C18	H181	sing	0.00Å	1.10Å
C18	H182	sing	0.00Å	1.10Å
C18	H183	sing	0.00Å	1.10Å
C19	H191	sing	0.00Å	1.08Å
C19	H192	sing	0.00Å	1.08Å
C20	C21	sing	0.00Å	1.61Å
C20	C22	sing	0.00Å	1.58Å
C20	H20	sing	0.00Å	1.10Å
C21	H211	sing	0.00Å	1.10Å
C21	H212	sing	0.00Å	1.10Å
C21	H213	sing	0.00Å	1.10Å
C22	C23	sing	0.00Å	1.53Å
C22	H221	sing	0.00Å	1.10Å
C22	H222	sing	0.00Å	1.10Å
C23	C24	sing	0.00Å	1.44Å
C23	H231	sing	0.00Å	1.10Å
C23	H232	sing	0.00Å	1.10Å
C24	C25	sing	0.00Å	1.51Å
C24	H241	sing	0.00Å	1.10Å
C24	H242	sing	0.00Å	1.10Å
C25	C26	sing	0.00Å	1.51Å
C25	C27	sing	0.00Å	1.57Å
C26	H261	sing	0.00Å	1.10Å
C26	H262	sing	0.00Å	1.10Å
C26	H263	sing	0.00Å	1.10Å
C27	H271	sing	0.00Å	1.10Å
C27	H272	sing	0.00Å	1.10Å
C27	H273	sing	0.00Å	1.10Å
O1	HO1	sing	0.00Å	0.95Å
C28	H281	sing	0.00Å	1.10Å
C28	H282	sing	0.00Å	1.10Å
C28	H283	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	O3	HO3	109.5°	90.0°
O3	C3	C2	107.4°	90.0°
O3	C3	C4	108.0°	90.0°
O3	C3	H3	112.9°	90.0°
C25	O25	H25	109.5°	90.0°
O25	C25	C24	111.4°	90.0°
O25	C25	C26	110.6°	90.0°
O25	C25	C27	107.2°	90.0°
C2	C1	C10	111.8°	90.0°
C2	C1	O1	108.9°	90.0°
C2	C1	H1	109.0°	90.0°
C1	C2	C3	109.8°	90.0°
C1	C2	C28	112.3°	90.0°
C1	C2	H2	107.1°	90.0°
C10	C1	O1	111.4°	90.0°
C10	C1	H1	106.3°	90.0°
C1	C10	C5	114.4°	90.0°
C1	C10	C19	122.0°	90.0°
O1	C1	H1	109.4°	90.0°
C1	O1	HO1	109.5°	90.0°
C3	C2	C28	108.7°	90.0°
C3	C2	H2	110.8°	90.0°
C2	C3	C4	112.7°	90.0°
C2	C3	H3	108.2°	90.0°
C28	C2	H2	108.2°	90.0°
C2	C28	H281	109.4°	90.0°
C2	C28	H282	109.5°	90.0°
C2	C28	H283	109.5°	90.0°
C4	C3	H3	107.7°	90.0°
C3	C4	C5	113.7°	90.0°
C3	C4	H41	107.1°	90.0°
C3	C4	H42	108.1°	90.0°
C5	C4	H41	107.2°	90.0°
C5	C4	H42	108.1°	90.0°
C4	C5	C6	124.9°	90.0°
C4	C5	C10	111.6°	90.0°
H41	C4	H42	112.8°	90.0°
C6	C5	C10	123.5°	90.0°
C5	C6	C7	131.5°	90.0°
C5	C6	H6	114.3°	90.0°
C5	C10	C19	123.5°	90.0°
C7	C6	H6	114.2°	90.0°
C6	C7	C8	129.2°	90.0°
C6	C7	H7	115.4°	90.0°
C8	C7	H7	115.4°	90.0°
C7	C8	C9	124.8°	90.0°
C7	C8	C14	122.3°	90.0°
C9	C8	C14	112.9°	90.0°
C8	C9	C11	112.7°	90.0°
C8	C9	H91	107.7°	90.0°
C8	C9	H92	108.4°	90.0°
C8	C14	C13	111.1°	90.0°
C8	C14	C15	120.1°	90.0°
C8	C14	H14	98.3°	90.0°
C11	C9	H91	107.7°	90.0°
C11	C9	H92	108.4°	90.0°
C9	C11	C12	110.8°	90.0°
C9	C11	H111	108.7°	90.0°
C9	C11	H112	109.0°	90.0°
H91	C9	H92	112.0°	90.0°
C10	C19	H191	128.0°	90.0°
C10	C19	H192	104.0°	90.0°
C12	C11	H111	108.7°	90.0°
C12	C11	H112	109.0°	90.0°
C11	C12	C13	117.3°	90.0°
C11	C12	H121	105.1°	90.0°
C11	C12	H122	106.9°	90.0°
H111	C11	H112	110.6°	90.0°
C13	C12	H121	105.1°	90.0°
C13	C12	H122	106.9°	90.0°
C12	C13	C14	106.4°	90.0°
C12	C13	C17	119.9°	90.0°
C12	C13	C18	101.0°	90.0°
H121	C12	H122	115.9°	90.0°
C14	C13	C17	95.6°	90.0°
C14	C13	C18	114.0°	90.0°
C13	C14	C15	100.0°	90.0°
C13	C14	H14	118.9°	90.0°
C17	C13	C18	119.8°	90.0°
C13	C17	C16	104.6°	90.0°
C13	C17	C20	110.0°	90.0°
C13	C17	H17	114.7°	90.0°
C13	C18	H181	109.4°	90.0°
C13	C18	H182	109.5°	90.0°
C13	C18	H183	109.5°	90.0°
C15	C14	H14	109.7°	90.0°
C14	C15	C16	102.1°	90.0°
C14	C15	H151	113.5°	90.0°
C14	C15	H152	112.0°	90.0°
C16	C15	H151	113.6°	90.0°
C16	C15	H152	112.0°	90.0°
C15	C16	C17	105.4°	90.0°
C15	C16	H161	111.7°	90.0°
C15	C16	H162	110.8°	90.0°
H151	C15	H152	103.9°	90.0°
C17	C16	H161	111.7°	90.0°
C17	C16	H162	110.8°	90.0°
C16	C17	C20	115.7°	90.0°
C16	C17	H17	108.9°	90.0°
H161	C16	H162	106.4°	90.0°
C20	C17	H17	103.4°	90.0°
C17	C20	C21	103.8°	90.0°
C17	C20	C22	120.3°	90.0°
C17	C20	H20	104.0°	90.0°
H181	C18	H182	109.5°	90.0°
H181	C18	H183	109.5°	90.0°
H182	C18	H183	109.4°	90.0°
H191	C19	H192	128.0°	90.0°
C21	C20	C22	100.7°	90.0°
C21	C20	H20	122.6°	90.0°
C20	C21	H211	109.5°	90.0°
C20	C21	H212	109.5°	90.0°
C20	C21	H213	109.5°	90.0°
C22	C20	H20	106.9°	90.0°
C20	C22	C23	111.7°	90.0°
C20	C22	H221	108.2°	90.0°
C20	C22	H222	108.7°	90.0°
H211	C21	H212	109.4°	90.0°
H211	C21	H213	109.5°	90.0°
H212	C21	H213	109.5°	90.0°
C23	C22	H221	108.2°	90.0°
C23	C22	H222	108.7°	90.0°
C22	C23	C24	119.4°	90.0°
C22	C23	H231	104.0°	90.0°
C22	C23	H232	106.3°	90.0°
H221	C22	H222	111.2°	90.0°
C24	C23	H231	104.0°	90.0°
C24	C23	H232	106.3°	90.0°
C23	C24	C25	121.9°	90.0°
C23	C24	H241	102.6°	90.0°
C23	C24	H242	105.5°	90.0°
H231	C23	H232	117.6°	90.0°
C25	C24	H241	102.6°	90.0°
C25	C24	H242	105.5°	90.0°
C24	C25	C26	109.1°	90.0°
C24	C25	C27	110.1°	90.0°
H241	C24	H242	119.8°	90.0°
C26	C25	C27	108.2°	90.0°
C25	C26	H261	109.5°	90.0°
C25	C26	H262	109.5°	90.0°
C25	C26	H263	109.5°	90.0°
C25	C27	H271	109.4°	90.0°
C25	C27	H272	109.5°	90.0°
C25	C27	H273	109.5°	90.0°
H261	C26	H262	109.5°	90.0°
H261	C26	H263	109.5°	90.0°
H262	C26	H263	109.4°	90.0°
H271	C27	H272	109.5°	90.0°
H271	C27	H273	109.5°	90.0°
H272	C27	H273	109.5°	90.0°
H281	C28	H282	109.5°	90.0°
H281	C28	H283	109.5°	90.0°
H282	C28	H283	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C2	C1	64.5°	90.0°
O3	C3	C2	C4	118.8°	90.0°
O3	C3	C2	H3	122.2°	90.0°
O3	C3	C2	C28	172.3°	90.0°
O3	C3	C2	H2	53.5°	90.0°
O3	C3	C4	H3	122.2°	90.0°
O3	C3	C4	C5	64.5°	90.0°
O3	C3	C4	H41	177.3°	90.0°
O3	C3	C4	H42	55.5°	90.0°
HO3	O3	C3	C2	161.8°	90.0°
HO3	O3	C3	C4	76.4°	90.0°
HO3	O3	C3	H3	42.6°	90.0°
O25	C25	C24	C23	53.1°	90.0°
O25	C25	C24	C26	122.5°	90.0°
O25	C25	C24	C27	118.9°	90.0°
O25	C25	C24	H241	60.6°	90.0°
O25	C25	C24	H242	173.1°	90.0°
O25	C25	C26	C27	117.2°	90.0°
O25	C25	C26	H261	103.0°	90.0°
O25	C25	C26	H262	137.0°	90.0°
O25	C25	C26	H263	17.0°	90.0°
O25	C25	C27	H271	23.1°	90.0°
O25	C25	C27	H272	96.9°	90.0°
O25	C25	C27	H273	143.1°	90.0°
H25	O25	C25	C24	69.2°	90.0°
H25	O25	C25	C26	169.2°	90.0°
H25	O25	C25	C27	51.3°	90.0°
C2	C1	C10	O1	122.1°	90.0°
C2	C1	C10	H1	118.8°	90.0°
C2	C1	O1	H1	119.0°	90.0°
C1	C2	C3	C28	123.1°	90.0°
C1	C2	C3	H2	118.1°	90.0°
C1	C2	C28	H2	118.0°	90.0°
C1	C2	C3	C4	54.3°	90.0°
C1	C2	C3	H3	173.3°	90.0°
C2	C1	C10	C5	52.1°	90.0°
C2	C1	C10	C19	126.9°	90.0°
C2	C1	O1	HO1	97.2°	90.0°
C1	C2	C28	H281	162.0°	90.0°
C1	C2	C28	H282	78.0°	90.0°
C1	C2	C28	H283	42.0°	90.0°
C10	C1	O1	H1	117.3°	90.0°
C10	C1	C2	C3	53.1°	90.0°
C10	C1	C2	C28	67.9°	90.0°
C10	C1	C2	H2	173.4°	90.0°
C1	C10	C5	C4	49.6°	90.0°
C1	C10	C5	C6	130.4°	90.0°
C1	C10	C5	C19	178.9°	90.0°
C1	C10	C19	H191	179.5°	90.0°
C1	C10	C19	H192	0.5°	90.0°
C10	C1	O1	HO1	139.1°	90.0°
O1	C1	C2	C3	176.6°	90.0°
O1	C1	C2	C28	55.6°	90.0°
O1	C1	C2	H2	63.1°	90.0°
O1	C1	C10	C5	174.1°	90.0°
O1	C1	C10	C19	4.9°	90.0°
H1	C1	C2	C3	64.2°	90.0°
H1	C1	C2	C28	174.8°	90.0°
H1	C1	C2	H2	56.2°	90.0°
H1	C1	C10	C5	66.8°	90.0°
H1	C1	C10	C19	114.3°	90.0°
H1	C1	O1	HO1	21.8°	90.0°
C3	C2	C28	H2	120.4°	90.0°
C2	C3	C4	H3	119.3°	90.0°
C2	C3	C4	C5	54.0°	90.0°
C2	C3	C4	H41	64.2°	90.0°
C2	C3	C4	H42	174.0°	90.0°
C3	C2	C28	H281	76.4°	90.0°
C3	C2	C28	H282	43.6°	90.0°
C3	C2	C28	H283	163.6°	90.0°
C28	C2	C3	C4	68.8°	90.0°
C28	C2	C3	H3	50.2°	90.0°
C2	C28	H281	H282	120.0°	90.0°
C2	C28	H281	H283	120.0°	90.0°
C2	C28	H282	H283	120.0°	90.0°
H2	C2	C3	C4	172.4°	90.0°
H2	C2	C3	H3	68.6°	90.0°
H2	C2	C28	H281	44.0°	90.0°
H2	C2	C28	H282	164.0°	90.0°
H2	C2	C28	H283	76.0°	90.0°
C3	C4	C5	H41	118.1°	90.0°
C3	C4	C5	H42	120.0°	90.0°
C3	C4	H41	H42	118.8°	90.0°
C3	C4	C5	C6	130.0°	90.0°
C3	C4	C5	C10	49.9°	90.0°
H3	C3	C4	C5	173.3°	90.0°
H3	C3	C4	H41	55.1°	90.0°
H3	C3	C4	H42	66.7°	90.0°
C5	C4	H41	H42	118.9°	90.0°
C4	C5	C6	C10	179.9°	90.0°
C4	C5	C6	C7	179.8°	90.0°
C4	C5	C6	H6	0.2°	90.0°
C4	C5	C10	C19	129.4°	90.0°
H41	C4	C5	C6	111.8°	90.0°
H41	C4	C5	C10	68.2°	90.0°
H42	C4	C5	C6	10.0°	90.0°
H42	C4	C5	C10	169.9°	90.0°
C5	C6	C7	H6	180.0°	90.0°
C5	C6	C7	C8	146.8°	90.0°
C5	C6	C7	H7	33.2°	90.0°
C6	C5	C10	C19	50.7°	90.0°
C10	C5	C6	C7	0.3°	90.0°
C10	C5	C6	H6	179.7°	90.0°
C5	C10	C19	H191	0.6°	90.0°
C5	C10	C19	H192	179.4°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	0.1°	90.0°
C6	C7	C8	C14	179.1°	90.0°
H6	C6	C7	C8	33.2°	90.0°
H6	C6	C7	H7	146.7°	90.0°
C7	C8	C9	C14	179.3°	90.0°
C7	C8	C9	C11	123.3°	90.0°
C7	C8	C9	H91	4.7°	90.0°
C7	C8	C9	H92	116.7°	90.0°
C7	C8	C14	C13	115.8°	90.0°
C7	C8	C14	C15	0.3°	90.0°
C7	C8	C14	H14	118.8°	90.0°
H7	C7	C8	C9	179.9°	90.0°
H7	C7	C8	C14	0.9°	90.0°
C8	C9	C11	H91	118.6°	90.0°
C8	C9	C11	H92	120.0°	90.0°
C8	C9	H91	H92	119.1°	90.0°
C8	C9	C11	C12	44.7°	90.0°
C8	C9	C11	H111	74.7°	90.0°
C8	C9	C11	H112	164.7°	90.0°
C9	C8	C14	C13	63.6°	90.0°
C9	C8	C14	C15	179.6°	90.0°
C9	C8	C14	H14	61.9°	90.0°
C14	C8	C9	C11	56.0°	90.0°
C14	C8	C9	H91	174.7°	90.0°
C14	C8	C9	H92	64.0°	90.0°
C8	C14	C13	C12	57.8°	90.0°
C8	C14	C13	C15	127.9°	90.0°
C8	C14	C13	H14	112.9°	90.0°
C8	C14	C13	C17	178.8°	90.0°
C8	C14	C13	C18	52.6°	90.0°
C8	C14	C15	H14	112.6°	90.0°
C8	C14	C15	C16	151.7°	90.0°
C8	C14	C15	H151	85.6°	90.0°
C8	C14	C15	H152	31.7°	90.0°
C11	C9	H91	H92	119.2°	90.0°
C9	C11	C12	H111	119.4°	90.0°
C9	C11	C12	H112	120.0°	90.0°
C9	C11	H111	H112	119.6°	90.0°
C9	C11	C12	C13	45.2°	90.0°
C9	C11	C12	H121	161.5°	90.0°
C9	C11	C12	H122	74.8°	90.0°
H91	C9	C11	C12	163.3°	90.0°
H91	C9	C11	H111	43.9°	90.0°
H91	C9	C11	H112	76.7°	90.0°
H92	C9	C11	C12	75.3°	90.0°
H92	C9	C11	H111	165.3°	90.0°
H92	C9	C11	H112	44.7°	90.0°
C10	C19	H191	H192	180.0°	90.0°
C12	C11	H111	H112	119.7°	90.0°
C11	C12	C13	H121	116.3°	90.0°
C11	C12	C13	H122	120.0°	90.0°
C11	C12	H121	H122	117.8°	90.0°
C11	C12	C13	C14	50.6°	90.0°
C11	C12	C13	C17	157.3°	90.0°
C11	C12	C13	C18	68.7°	90.0°
H111	C11	C12	C13	74.2°	90.0°
H111	C11	C12	H121	42.1°	90.0°
H111	C11	C12	H122	165.8°	90.0°
H112	C11	C12	C13	165.2°	90.0°
H112	C11	C12	H121	78.5°	90.0°
H112	C11	C12	H122	45.2°	90.0°
C13	C12	H121	H122	117.8°	90.0°
C12	C13	C14	C17	123.4°	90.0°
C12	C13	C14	C18	110.4°	90.0°
C12	C13	C17	C18	125.6°	90.0°
C12	C13	C14	C15	174.4°	90.0°
C12	C13	C14	H14	55.1°	90.0°
C12	C13	C17	C16	167.2°	90.0°
C12	C13	C17	C20	68.0°	90.0°
C12	C13	C17	H17	48.0°	90.0°
C12	C13	C18	H181	123.4°	90.0°
C12	C13	C18	H182	116.6°	90.0°
C12	C13	C18	H183	3.4°	90.0°
H121	C12	C13	C14	166.9°	90.0°
H121	C12	C13	C17	86.4°	90.0°
H121	C12	C13	C18	47.6°	90.0°
H122	C12	C13	C14	69.4°	90.0°
H122	C12	C13	C17	37.3°	90.0°
H122	C12	C13	C18	171.3°	90.0°
C14	C13	C17	C18	121.9°	90.0°
C13	C14	C15	H14	125.8°	90.0°
C13	C14	C15	C16	30.1°	90.0°
C13	C14	C15	H151	152.8°	90.0°
C13	C14	C15	H152	89.9°	90.0°
C14	C13	C17	C16	54.7°	90.0°
C14	C13	C17	C20	179.5°	90.0°
C14	C13	C17	H17	64.5°	90.0°
C14	C13	C18	H181	123.0°	90.0°
C14	C13	C18	H182	2.9°	90.0°
C14	C13	C18	H183	117.0°	90.0°
C17	C13	C14	C15	50.9°	90.0°
C17	C13	C14	H14	68.3°	90.0°
C13	C17	C16	C15	36.9°	90.0°
C13	C17	C16	C20	121.1°	90.0°
C13	C17	C16	H17	123.0°	90.0°
C13	C17	C16	H161	158.4°	90.0°
C13	C17	C16	H162	83.1°	90.0°
C13	C17	C20	H17	122.9°	90.0°
C17	C13	C18	H181	10.7°	90.0°
C17	C13	C18	H182	109.3°	90.0°
C17	C13	C18	H183	130.7°	90.0°
C13	C17	C20	C21	159.7°	90.0°
C13	C17	C20	C22	89.0°	90.0°
C13	C17	C20	H20	30.5°	90.0°
C18	C13	C14	C15	75.3°	90.0°
C18	C13	C14	H14	165.5°	90.0°
C18	C13	C17	C16	67.2°	90.0°
C18	C13	C17	C20	57.6°	90.0°
C18	C13	C17	H17	173.6°	90.0°
C13	C18	H181	H182	120.0°	90.0°
C13	C18	H181	H183	120.0°	90.0°
C13	C18	H182	H183	120.0°	90.0°
C14	C15	C16	H151	122.6°	90.0°
C14	C15	C16	H152	120.0°	90.0°
C14	C15	H151	H152	121.9°	90.0°
C14	C15	C16	C17	2.0°	90.0°
C14	C15	C16	H161	123.5°	90.0°
C14	C15	C16	H162	118.0°	90.0°
H14	C14	C15	C16	95.7°	90.0°
H14	C14	C15	H151	27.0°	90.0°
H14	C14	C15	H152	144.3°	90.0°
C16	C15	H151	H152	122.0°	90.0°
C15	C16	C17	H161	121.5°	90.0°
C15	C16	C17	H162	120.0°	90.0°
C15	C16	H161	H162	121.1°	90.0°
C15	C16	C17	C20	158.0°	90.0°
C15	C16	C17	H17	86.2°	90.0°
H151	C15	C16	C17	120.6°	90.0°
H151	C15	C16	H161	0.9°	90.0°
H151	C15	C16	H162	119.4°	90.0°
H152	C15	C16	C17	122.0°	90.0°
H152	C15	C16	H161	116.5°	90.0°
H152	C15	C16	H162	2.0°	90.0°
C17	C16	H161	H162	121.1°	90.0°
C16	C17	C20	H17	118.9°	90.0°
C16	C17	C20	C21	82.1°	90.0°
C16	C17	C20	C22	29.2°	90.0°
C16	C17	C20	H20	148.6°	90.0°
H161	C16	C17	C20	80.5°	90.0°
H161	C16	C17	H17	35.4°	90.0°
H162	C16	C17	C20	38.0°	90.0°
H162	C16	C17	H17	153.8°	90.0°
C17	C20	C21	C22	125.0°	90.0°
C17	C20	C21	H20	116.9°	90.0°
C17	C20	C22	H20	118.0°	90.0°
C17	C20	C21	H211	171.1°	90.0°
C17	C20	C21	H212	51.2°	90.0°
C17	C20	C21	H213	68.9°	90.0°
C17	C20	C22	C23	151.7°	90.0°
C17	C20	C22	H221	89.3°	90.0°
C17	C20	C22	H222	31.7°	90.0°
H17	C17	C20	C21	36.8°	90.0°
H17	C17	C20	C22	148.1°	90.0°
H17	C17	C20	H20	92.4°	90.0°
H181	C18	H182	H183	120.0°	90.0°
C21	C20	C22	H20	129.1°	90.0°
C20	C21	H211	H212	120.0°	90.0°
C20	C21	H211	H213	120.0°	90.0°
C20	C21	H212	H213	120.0°	90.0°
C21	C20	C22	C23	95.4°	90.0°
C21	C20	C22	H221	23.7°	90.0°
C21	C20	C22	H222	144.6°	90.0°
C22	C20	C21	H211	63.9°	90.0°
C22	C20	C21	H212	176.2°	90.0°
C22	C20	C21	H213	56.2°	90.0°
C20	C22	C23	H221	119.0°	90.0°
C20	C22	C23	H222	120.0°	90.0°
C20	C22	H221	H222	119.4°	90.0°
C20	C22	C23	C24	157.8°	90.0°
C20	C22	C23	H231	42.6°	90.0°
C20	C22	C23	H232	82.2°	90.0°
H20	C20	C21	H211	54.3°	90.0°
H20	C20	C21	H212	65.7°	90.0°
H20	C20	C21	H213	174.3°	90.0°
H20	C20	C22	C23	33.7°	90.0°
H20	C20	C22	H221	152.7°	90.0°
H20	C20	C22	H222	86.3°	90.0°
H211	C21	H212	H213	120.0°	90.0°
C23	C22	H221	H222	119.4°	90.0°
C22	C23	C24	H231	115.2°	90.0°
C22	C23	C24	H232	120.0°	90.0°
C22	C23	H231	H232	117.2°	90.0°
C22	C23	C24	C25	152.1°	90.0°
C22	C23	C24	H241	38.3°	90.0°
C22	C23	C24	H242	88.0°	90.0°
H221	C22	C23	C24	83.2°	90.0°
H221	C22	C23	H231	161.6°	90.0°
H221	C22	C23	H232	36.8°	90.0°
H222	C22	C23	C24	37.8°	90.0°
H222	C22	C23	H231	77.4°	90.0°
H222	C22	C23	H232	157.8°	90.0°
C24	C23	H231	H232	117.2°	90.0°
C23	C24	C25	H241	113.8°	90.0°
C23	C24	C25	H242	120.0°	90.0°
C23	C24	H241	H242	116.4°	90.0°
C23	C24	C25	C26	69.3°	90.0°
C23	C24	C25	C27	172.0°	90.0°
H231	C23	C24	C25	92.7°	90.0°
H231	C23	C24	H241	153.5°	90.0°
H231	C23	C24	H242	27.3°	90.0°
H232	C23	C24	C25	32.0°	90.0°
H232	C23	C24	H241	81.7°	90.0°
H232	C23	C24	H242	152.0°	90.0°
C25	C24	H241	H242	116.4°	90.0°
C24	C25	C26	C27	119.8°	90.0°
C24	C25	C26	H261	134.0°	90.0°
C24	C25	C26	H262	14.0°	90.0°
C24	C25	C26	H263	106.0°	90.0°
C24	C25	C27	H271	144.5°	90.0°
C24	C25	C27	H272	24.5°	90.0°
C24	C25	C27	H273	95.5°	90.0°
H241	C24	C25	C26	176.9°	90.0°
H241	C24	C25	C27	58.3°	90.0°
H242	C24	C25	C26	50.7°	90.0°
H242	C24	C25	C27	68.0°	90.0°
C25	C26	H261	H262	120.0°	90.0°
C25	C26	H261	H263	120.0°	90.0°
C25	C26	H262	H263	120.0°	90.0°
C26	C25	C27	H271	96.3°	90.0°
C26	C25	C27	H272	143.7°	90.0°
C26	C25	C27	H273	23.7°	90.0°
C27	C25	C26	H261	14.2°	90.0°
C27	C25	C26	H262	105.8°	90.0°
C27	C25	C26	H263	134.2°	90.0°
C25	C27	H271	H272	120.0°	90.0°
C25	C27	H271	H273	120.0°	90.0°
C25	C27	H272	H273	120.0°	90.0°
H261	C26	H262	H263	120.0°	90.0°
H271	C27	H272	H273	120.0°	90.0°
H281	C28	H282	H283	120.0°	90.0°

Definition date:	2006-06-20
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2HB8