OCC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C10	sing	1.48Å	1.55Å
C5	C4	sing	1.52Å	1.55Å
C5	C6	doub	1.35Å	1.35Å
C10	C1	sing	1.52Å	1.57Å
C10	C19	doub	1.33Å	1.40Å
C1	C2	sing	1.53Å	1.58Å
C1	O1	sing	1.43Å	1.41Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.57Å
C2	O28	sing	1.43Å	1.46Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.56Å
C3	O2	sing	1.43Å	1.44Å
C3	H3	sing	1.09Å	1.10Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C6	C7	sing	1.46Å	1.46Å
C6	H6	sing	1.08Å	1.08Å
C7	C8	doub	1.33Å	1.33Å
C7	H7	sing	1.08Å	1.08Å
C8	C14	sing	1.50Å	1.54Å
C8	C9	sing	1.52Å	1.57Å
C14	C13	sing	1.56Å	1.60Å
C14	C15	sing	1.53Å	1.61Å
C14	H14	sing	1.09Å	1.10Å
C13	C12	sing	1.51Å	1.62Å
C13	C17	sing	1.52Å	1.53Å
C13	C18	sing	1.53Å	1.63Å
C12	C11	sing	1.54Å	1.58Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C11	C9	sing	1.53Å	1.57Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C15	C16	sing	1.55Å	1.56Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C16	C17	sing	1.55Å	1.56Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C17	C20	sing	1.53Å	1.62Å
C17	H17	sing	1.09Å	1.10Å
C19	H191	sing	1.08Å	1.08Å
C19	H192	sing	1.08Å	1.08Å
O2	HO2	sing	0.97Å	0.95Å
O1	HO1	sing	0.97Å	0.95Å
C20	C22	sing	1.53Å	1.56Å
C20	C21	sing	1.53Å	1.55Å
C20	H20	sing	1.09Å	1.10Å
C22	C23	sing	1.53Å	1.53Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C21	H213	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.54Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C24	C25	sing	1.53Å	1.55Å
C24	H241	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C25	O25	sing	1.43Å	1.44Å
C25	C27	sing	1.53Å	1.52Å
C25	C26	sing	1.53Å	1.54Å
O25	H25	sing	0.97Å	0.95Å
C27	H271	sing	1.09Å	1.10Å
C27	H272	sing	1.09Å	1.10Å
C27	H273	sing	1.09Å	1.10Å
C26	H261	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å
C26	H263	sing	1.09Å	1.10Å
O28	C29	sing	1.43Å	1.43Å
C29	C30	sing	1.53Å	1.54Å
C29	H291	sing	1.09Å	1.10Å
C29	H292	sing	1.09Å	1.10Å
C30	C31	sing	1.53Å	1.54Å
C30	H301	sing	1.09Å	1.10Å
C30	H302	sing	1.09Å	1.10Å
C31	O32	sing	1.43Å	1.45Å
C31	H311	sing	1.09Å	1.10Å
C31	H312	sing	1.09Å	1.10Å
O32	H32	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C5	C4	115.0°	116.8°
C10	C5	C6	128.8°	121.6°
C5	C10	C1	112.3°	116.5°
C5	C10	C19	124.9°	121.9°
C4	C5	C6	116.2°	121.6°
C5	C4	C3	112.4°	108.4°
C5	C4	H41	107.8°	109.6°
C5	C4	H42	108.5°	109.7°
C5	C6	C7	127.0°	120.0°
C5	C6	H6	116.5°	120.0°
C1	C10	C19	122.8°	121.6°
C10	C1	C2	108.3°	108.3°
C10	C1	O1	109.8°	109.8°
C10	C1	H1	110.1°	109.6°
C10	C19	H191	127.8°	120.0°
C10	C19	H192	104.4°	120.0°
C2	C1	O1	109.7°	109.7°
C2	C1	H1	110.2°	109.7°
C1	C2	C3	111.2°	109.8°
C1	C2	O28	114.5°	109.4°
C1	C2	H2	102.9°	109.4°
O1	C1	H1	108.7°	109.7°
C1	O1	HO1	109.5°	106.8°
C3	C2	O28	102.7°	109.4°
C3	C2	H2	114.6°	109.4°
C2	C3	C4	112.7°	109.8°
C2	C3	O2	109.0°	109.4°
C2	C3	H3	107.2°	109.4°
O28	C2	H2	111.4°	109.4°
C2	O28	C29	117.5°	106.8°
C4	C3	O2	108.4°	109.4°
C4	C3	H3	107.9°	109.4°
C3	C4	H41	107.9°	109.7°
C3	C4	H42	108.5°	109.7°
O2	C3	H3	111.7°	109.4°
C3	O2	HO2	109.5°	106.9°
H41	C4	H42	111.8°	109.7°
C7	C6	H6	116.5°	120.0°
C6	C7	C8	127.0°	120.0°
C6	C7	H7	116.5°	120.0°
C8	C7	H7	116.5°	120.0°
C7	C8	C14	123.1°	122.4°
C7	C8	C9	124.4°	122.4°
C14	C8	C9	112.5°	115.2°
C8	C14	C13	111.0°	106.0°
C8	C14	C15	120.0°	116.7°
C8	C14	H14	98.8°	110.7°
C8	C9	C11	113.4°	110.8°
C8	C9	H91	107.3°	109.2°
C8	C9	H92	108.2°	109.2°
C13	C14	C15	102.1°	101.3°
C13	C14	H14	117.7°	110.8°
C14	C13	C12	105.7°	107.7°
C14	C13	C17	96.7°	103.2°
C14	C13	C18	114.0°	107.8°
C15	C14	H14	108.2°	110.8°
C14	C15	C16	103.6°	102.8°
C14	C15	H151	112.7°	110.7°
C14	C15	H152	111.5°	110.8°
C12	C13	C17	118.0°	119.0°
C12	C13	C18	106.4°	109.3°
C13	C12	C11	116.4°	108.1°
C13	C12	H121	105.6°	109.4°
C13	C12	H122	107.2°	109.8°
C17	C13	C18	115.7°	109.2°
C13	C17	C16	103.4°	105.1°
C13	C17	C20	115.3°	110.3°
C13	C17	H17	110.9°	110.4°
C13	C18	H181	109.5°	109.5°
C13	C18	H182	109.5°	109.4°
C13	C18	H183	109.5°	109.5°
C11	C12	H121	105.6°	109.9°
C11	C12	H122	107.2°	109.8°
C12	C11	C9	114.1°	111.7°
C12	C11	H111	106.9°	109.0°
C12	C11	H112	107.9°	109.0°
H121	C12	H122	115.1°	109.9°
C9	C11	H111	106.9°	109.0°
C9	C11	H112	107.9°	109.0°
C11	C9	H91	107.3°	109.2°
C11	C9	H92	108.2°	109.2°
H111	C11	H112	113.2°	109.0°
H91	C9	H92	112.5°	109.1°
C16	C15	H151	112.7°	110.7°
C16	C15	H152	111.5°	110.8°
C15	C16	C17	105.0°	106.3°
C15	C16	H161	112.0°	110.1°
C15	C16	H162	111.0°	110.1°
H151	C15	H152	105.1°	110.8°
C17	C16	H161	112.0°	110.1°
C17	C16	H162	111.0°	110.1°
C16	C17	C20	112.7°	110.3°
C16	C17	H17	113.6°	110.3°
H161	C16	H162	106.1°	110.1°
C20	C17	H17	101.3°	110.3°
C17	C20	C22	122.7°	109.5°
C17	C20	C21	108.5°	109.5°
C17	C20	H20	99.6°	109.5°
H191	C19	H192	127.8°	120.1°
C22	C20	C21	106.2°	109.4°
C22	C20	H20	102.3°	109.5°
C20	C22	C23	113.5°	109.5°
C20	C22	H221	107.3°	109.4°
C20	C22	H222	108.2°	109.5°
C21	C20	H20	118.2°	109.5°
C20	C21	H211	109.5°	109.4°
C20	C21	H212	109.5°	109.4°
C20	C21	H213	109.5°	109.4°
C23	C22	H221	107.2°	109.5°
C23	C22	H222	108.1°	109.5°
C22	C23	C24	115.3°	109.5°
C22	C23	H231	106.2°	109.4°
C22	C23	H232	107.6°	109.5°
H221	C22	H222	112.6°	109.5°
H181	C18	H182	109.5°	109.5°
H181	C18	H183	109.4°	109.5°
H182	C18	H183	109.5°	109.5°
H211	C21	H212	109.5°	109.5°
H211	C21	H213	109.5°	109.5°
H212	C21	H213	109.4°	109.5°
C24	C23	H231	106.2°	109.5°
C24	C23	H232	107.6°	109.5°
C23	C24	C25	115.3°	109.5°
C23	C24	H241	106.2°	109.5°
C23	C24	H242	107.6°	109.5°
H231	C23	H232	114.2°	109.5°
C25	C24	H241	106.3°	109.4°
C25	C24	H242	107.6°	109.4°
C24	C25	O25	109.3°	109.5°
C24	C25	C27	110.8°	109.5°
C24	C25	C26	113.1°	109.5°
H241	C24	H242	114.2°	109.5°
O25	C25	C27	108.3°	109.5°
O25	C25	C26	107.2°	109.5°
C25	O25	H25	109.5°	106.8°
C27	C25	C26	108.0°	109.5°
C25	C27	H271	109.5°	109.5°
C25	C27	H272	109.5°	109.5°
C25	C27	H273	109.5°	109.5°
C25	C26	H261	109.5°	109.5°
C25	C26	H262	109.5°	109.5°
C25	C26	H263	109.5°	109.5°
H271	C27	H272	109.5°	109.5°
H271	C27	H273	109.4°	109.5°
H272	C27	H273	109.4°	109.4°
H261	C26	H262	109.5°	109.4°
H261	C26	H263	109.4°	109.4°
H262	C26	H263	109.5°	109.5°
O28	C29	C30	110.8°	109.5°
O28	C29	H291	108.8°	109.5°
O28	C29	H292	109.0°	109.5°
C30	C29	H291	108.7°	109.4°
C30	C29	H292	109.1°	109.5°
C29	C30	C31	112.4°	109.5°
C29	C30	H301	107.9°	109.4°
C29	C30	H302	108.5°	109.5°
H291	C29	H292	110.5°	109.5°
C31	C30	H301	107.8°	109.5°
C31	C30	H302	108.5°	109.5°
C30	C31	O32	111.8°	109.5°
C30	C31	H311	108.2°	109.5°
C30	C31	H312	108.7°	109.5°
H301	C30	H302	111.8°	109.5°
O32	C31	H311	108.2°	109.5°
O32	C31	H312	108.7°	109.5°
C31	O32	H32	109.5°	106.8°
H311	C31	H312	111.3°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C5	C4	C6	179.8°	179.7°
C5	C10	C1	C19	177.7°	179.7°
C5	C10	C1	C2	56.3°	46.9°
C5	C10	C1	O1	176.1°	72.9°
C5	C10	C1	H1	64.3°	166.5°
C10	C5	C4	C3	46.1°	46.9°
C10	C5	C4	H41	164.9°	166.6°
C10	C5	C4	H42	73.9°	72.9°
C10	C5	C6	C7	0.1°	0.3°
C10	C5	C6	H6	179.9°	179.7°
C5	C10	C19	H191	178.7°	179.6°
C5	C10	C19	H192	1.4°	0.3°
C4	C5	C10	C1	51.4°	43.5°
C4	C5	C10	C19	126.2°	136.8°
C5	C4	C3	C2	48.2°	57.7°
C5	C4	C3	H41	118.7°	119.7°
C5	C4	C3	H42	120.0°	119.7°
C5	C4	C3	O2	72.4°	177.7°
C5	C4	C3	H3	166.4°	62.4°
C5	C4	H41	H42	119.2°	120.5°
C4	C5	C6	C7	179.9°	180.0°
C4	C5	C6	H6	0.1°	0.1°
C6	C5	C10	C1	128.4°	136.8°
C6	C5	C10	C19	54.0°	42.9°
C6	C5	C4	C3	133.7°	133.4°
C6	C5	C4	H41	15.0°	13.7°
C6	C5	C4	H42	106.3°	106.8°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	146.1°	180.0°
C5	C6	C7	H7	33.9°	0.0°
C10	C1	C2	O1	119.9°	119.9°
C10	C1	C2	H1	120.5°	119.5°
C10	C1	O1	H1	120.5°	120.5°
C10	C1	C2	C3	59.0°	57.9°
C10	C1	C2	O28	56.8°	177.9°
C10	C1	C2	H2	177.9°	62.2°
C1	C10	C19	H191	1.3°	0.1°
C1	C10	C19	H192	178.8°	180.0°
C10	C1	O1	HO1	139.1°	61.1°
C19	C10	C1	C2	121.4°	133.3°
C19	C10	C1	O1	1.6°	106.8°
C19	C10	C1	H1	118.0°	13.7°
C10	C19	H191	H192	179.9°	179.9°
C2	C1	O1	H1	120.6°	120.6°
C1	C2	C3	O28	122.9°	120.0°
C1	C2	C3	H2	116.2°	120.1°
C1	C2	O28	H2	116.2°	119.8°
C1	C2	C3	C4	56.0°	66.2°
C1	C2	C3	O2	64.3°	173.7°
C1	C2	C3	H3	174.6°	53.9°
C2	C1	O1	HO1	102.0°	180.0°
C1	C2	O28	C29	96.8°	89.7°
O1	C1	C2	C3	178.9°	62.0°
O1	C1	C2	O28	63.0°	58.0°
O1	C1	C2	H2	58.0°	177.9°
H1	C1	C2	C3	61.5°	177.4°
H1	C1	C2	O28	177.3°	62.6°
H1	C1	C2	H2	61.7°	57.3°
H1	C1	O1	HO1	18.7°	59.4°
C3	C2	O28	H2	123.1°	119.9°
C2	C3	C4	O2	120.7°	120.0°
C2	C3	C4	H3	118.2°	120.1°
C2	C3	O2	H3	118.3°	119.8°
C2	C3	C4	H41	167.0°	177.4°
C2	C3	C4	H42	71.8°	62.0°
C2	C3	O2	HO2	159.1°	179.6°
C3	C2	O28	C29	142.6°	150.0°
O28	C2	C3	C4	66.8°	173.7°
O28	C2	C3	O2	172.8°	53.7°
O28	C2	C3	H3	51.7°	66.2°
C2	O28	C29	C30	85.6°	180.0°
C2	O28	C29	H291	155.0°	60.0°
C2	O28	C29	H292	34.4°	60.0°
H2	C2	C3	C4	172.2°	53.9°
H2	C2	C3	O2	51.9°	66.2°
H2	C2	C3	H3	69.2°	174.0°
H2	C2	O28	C29	19.5°	30.2°
C4	C3	O2	H3	118.7°	119.9°
C3	C4	H41	H42	119.2°	120.6°
C4	C3	O2	HO2	77.9°	60.1°
O2	C3	C4	H41	46.3°	62.6°
O2	C3	C4	H42	167.5°	58.0°
H3	C3	C4	H41	74.8°	57.3°
H3	C3	C4	H42	46.4°	177.9°
H3	C3	O2	HO2	40.8°	59.8°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C14	179.4°	180.0°
C6	C7	C8	C9	0.0°	0.0°
H6	C6	C7	C8	33.9°	0.0°
H6	C6	C7	H7	146.1°	179.9°
C7	C8	C14	C9	179.5°	180.0°
C7	C8	C14	C13	116.4°	122.3°
C7	C8	C14	C15	2.3°	10.5°
C7	C8	C14	H14	119.3°	117.4°
C7	C8	C9	C11	128.7°	129.8°
C7	C8	C9	H91	10.4°	109.9°
C7	C8	C9	H92	111.2°	9.4°
H7	C7	C8	C14	0.6°	0.1°
H7	C7	C8	C9	180.0°	179.9°
C8	C14	C13	C15	129.0°	122.2°
C8	C14	C13	H14	112.7°	120.2°
C8	C14	C15	H14	112.0°	127.8°
C8	C14	C13	C12	60.6°	65.6°
C8	C14	C13	C17	177.9°	167.7°
C8	C14	C13	C18	55.9°	52.2°
C14	C8	C9	C11	50.7°	50.2°
C14	C8	C9	H91	169.0°	70.1°
C14	C8	C9	H92	69.3°	170.6°
C8	C14	C15	C16	151.2°	156.8°
C8	C14	C15	H151	86.7°	84.9°
C8	C14	C15	H152	31.2°	38.4°
C9	C8	C14	C13	63.0°	57.7°
C9	C8	C14	C15	178.2°	169.6°
C9	C8	C14	H14	61.2°	62.5°
C8	C9	C11	C12	40.0°	48.6°
C8	C9	C11	H91	118.3°	120.3°
C8	C9	C11	H92	120.0°	120.4°
C8	C9	C11	H111	157.9°	169.2°
C8	C9	C11	H112	80.0°	71.9°
C8	C9	H91	H92	118.9°	119.4°
C13	C14	C15	H14	124.8°	117.6°
C14	C13	C12	C17	106.6°	116.8°
C14	C13	C12	C18	121.5°	116.9°
C14	C13	C17	C18	120.7°	114.5°
C14	C13	C12	C11	51.5°	67.2°
C14	C13	C12	H121	65.3°	52.4°
C14	C13	C12	H122	171.4°	173.1°
C13	C14	C15	C16	28.0°	42.3°
C13	C14	C15	H151	150.1°	160.6°
C13	C14	C15	H152	92.0°	76.1°
C14	C13	C17	C16	51.9°	30.1°
C14	C13	C17	C20	175.4°	149.0°
C14	C13	C17	H17	70.2°	88.8°
C14	C13	C18	H181	120.5°	57.5°
C14	C13	C18	H182	0.5°	62.5°
C14	C13	C18	H183	119.5°	177.6°
C15	C14	C13	C12	170.4°	172.2°
C15	C14	C13	C17	48.8°	45.5°
C15	C14	C13	C18	73.2°	70.0°
C14	C15	C16	H151	122.1°	118.3°
C14	C15	C16	H152	120.0°	118.4°
C14	C15	H151	H152	121.6°	123.3°
C14	C15	C16	C17	3.6°	24.2°
C14	C15	C16	H161	125.3°	95.0°
C14	C15	C16	H162	116.4°	143.4°
H14	C14	C13	C12	52.2°	54.6°
H14	C14	C13	C17	69.4°	72.1°
H14	C14	C13	C18	168.6°	172.4°
H14	C14	C15	C16	96.8°	75.4°
H14	C14	C15	H151	25.4°	42.9°
H14	C14	C15	H152	143.2°	166.2°
C12	C13	C17	C18	127.6°	126.4°
C13	C12	C11	H121	116.8°	119.3°
C13	C12	C11	H122	120.0°	119.7°
C13	C12	H121	H122	118.1°	120.6°
C13	C12	C11	C9	42.9°	58.8°
C13	C12	C11	H111	160.9°	179.4°
C13	C12	C11	H112	77.1°	61.7°
C12	C13	C17	C16	163.7°	149.3°
C12	C13	C17	C20	72.8°	91.8°
C12	C13	C17	H17	41.5°	30.4°
C12	C13	C18	H181	123.5°	59.3°
C12	C13	C18	H182	116.5°	179.3°
C12	C13	C18	H183	3.5°	60.7°
C17	C13	C12	C11	158.1°	176.0°
C17	C13	C12	H121	41.3°	64.4°
C17	C13	C12	H122	82.0°	56.3°
C13	C17	C16	C15	35.9°	3.9°
C13	C17	C16	C20	125.2°	118.9°
C13	C17	C16	H17	120.3°	119.0°
C13	C17	C16	H161	157.6°	123.2°
C13	C17	C16	H162	84.1°	115.3°
C13	C17	C20	H17	119.8°	122.2°
C13	C17	C20	C22	85.3°	178.6°
C13	C17	C20	C21	150.3°	61.5°
C13	C17	C20	H20	26.0°	58.5°
C17	C13	C18	H181	9.7°	168.9°
C17	C13	C18	H182	110.3°	49.0°
C17	C13	C18	H183	129.7°	71.0°
C18	C13	C12	C11	70.0°	49.7°
C18	C13	C12	H121	173.2°	169.3°
C18	C13	C12	H122	50.0°	70.0°
C18	C13	C17	C16	68.7°	84.3°
C18	C13	C17	C20	54.8°	34.6°
C18	C13	C17	H17	169.1°	156.7°
C13	C18	H181	H182	120.0°	119.9°
C13	C18	H181	H183	120.0°	120.1°
C13	C18	H182	H183	120.0°	120.0°
C11	C12	H121	H122	118.0°	120.9°
C12	C11	C9	H111	118.0°	120.6°
C12	C11	C9	H112	120.0°	120.5°
C12	C11	H111	H112	118.7°	118.9°
C12	C11	C9	H91	158.3°	71.7°
C12	C11	C9	H92	80.0°	169.0°
H121	C12	C11	C9	73.8°	60.5°
H121	C12	C11	H111	44.1°	60.1°
H121	C12	C11	H112	166.2°	179.0°
H122	C12	C11	C9	162.9°	178.5°
H122	C12	C11	H111	79.1°	60.9°
H122	C12	C11	H112	42.9°	58.0°
C9	C11	H111	H112	118.7°	118.9°
C11	C9	H91	H92	118.9°	119.4°
H111	C11	C9	H91	83.7°	48.8°
H111	C11	C9	H92	37.9°	70.5°
H112	C11	C9	H91	38.3°	167.7°
H112	C11	C9	H92	160.0°	48.4°
C16	C15	H151	H152	121.6°	123.3°
C15	C16	C17	H161	121.7°	119.2°
C15	C16	C17	H162	120.0°	119.2°
C15	C16	H161	H162	121.2°	121.5°
C15	C16	C17	C20	161.1°	122.8°
C15	C16	C17	H17	84.4°	115.0°
H151	C15	C16	C17	118.5°	142.5°
H151	C15	C16	H161	3.2°	23.3°
H151	C15	C16	H162	121.5°	98.3°
H152	C15	C16	C17	123.6°	94.2°
H152	C15	C16	H161	114.7°	146.6°
H152	C15	C16	H162	3.6°	25.0°
C17	C16	H161	H162	121.2°	121.6°
C16	C17	C20	H17	121.7°	122.1°
C16	C17	C20	C22	33.1°	62.9°
C16	C17	C20	C21	91.3°	177.2°
C16	C17	C20	H20	144.5°	57.2°
H161	C16	C17	C20	77.2°	117.9°
H161	C16	C17	H17	37.3°	4.2°
H162	C16	C17	C20	41.1°	3.6°
H162	C16	C17	H17	155.6°	125.8°
C17	C20	C22	C21	125.4°	120.0°
C17	C20	C22	H20	110.0°	120.1°
C17	C20	C21	H20	112.3°	120.1°
C17	C20	C22	C23	144.2°	175.0°
C17	C20	C22	H221	97.6°	55.0°
C17	C20	C22	H222	24.2°	65.0°
C17	C20	C21	H211	165.4°	60.0°
C17	C20	C21	H212	45.4°	60.0°
C17	C20	C21	H213	74.6°	180.0°
H17	C17	C20	C22	154.9°	59.3°
H17	C17	C20	C21	30.5°	60.7°
H17	C17	C20	H20	93.8°	179.3°
C22	C20	C21	H20	114.0°	120.0°
C20	C22	C23	H221	118.3°	120.0°
C20	C22	C23	H222	120.0°	120.0°
C20	C22	H221	H222	118.9°	120.0°
C22	C20	C21	H211	60.9°	60.0°
C22	C20	C21	H212	179.1°	180.0°
C22	C20	C21	H213	59.2°	60.0°
C20	C22	C23	C24	166.6°	180.0°
C20	C22	C23	H231	49.3°	60.0°
C20	C22	C23	H232	73.3°	60.0°
C21	C20	C22	C23	90.4°	65.0°
C21	C20	C22	H221	27.8°	175.0°
C21	C20	C22	H222	149.6°	55.0°
C20	C21	H211	H212	120.0°	120.0°
C20	C21	H211	H213	120.0°	120.0°
C20	C21	H212	H213	120.0°	120.0°
H20	C20	C22	C23	34.2°	54.9°
H20	C20	C22	H221	152.4°	65.0°
H20	C20	C22	H222	85.8°	175.0°
H20	C20	C21	H211	53.1°	180.0°
H20	C20	C21	H212	66.9°	60.0°
H20	C20	C21	H213	173.2°	60.0°
C23	C22	H221	H222	118.8°	120.0°
C22	C23	C24	H231	117.4°	119.9°
C22	C23	C24	H232	120.0°	120.0°
C22	C23	H231	H232	118.4°	120.0°
C22	C23	C24	C25	153.2°	180.0°
C22	C23	C24	H241	35.8°	60.1°
C22	C23	C24	H242	86.9°	60.0°
H221	C22	C23	C24	75.1°	60.0°
H221	C22	C23	H231	167.6°	180.0°
H221	C22	C23	H232	44.9°	60.0°
H222	C22	C23	C24	46.6°	60.0°
H222	C22	C23	H231	70.7°	60.0°
H222	C22	C23	H232	166.6°	180.0°
H181	C18	H182	H183	120.0°	120.0°
H211	C21	H212	H213	120.0°	120.1°
C24	C23	H231	H232	118.4°	120.0°
C23	C24	C25	H241	117.4°	120.0°
C23	C24	C25	H242	120.0°	120.0°
C23	C24	H241	H242	118.4°	120.0°
C23	C24	C25	O25	59.6°	65.0°
C23	C24	C25	C27	178.8°	175.0°
C23	C24	C25	C26	59.8°	55.0°
H231	C23	C24	C25	89.5°	60.1°
H231	C23	C24	H241	153.1°	180.0°
H231	C23	C24	H242	30.5°	59.9°
H232	C23	C24	C25	33.2°	60.0°
H232	C23	C24	H241	84.2°	59.9°
H232	C23	C24	H242	153.1°	180.0°
C25	C24	H241	H242	118.4°	120.0°
C24	C25	O25	C27	120.8°	120.0°
C24	C25	O25	C26	122.9°	120.0°
C24	C25	C27	C26	124.4°	120.0°
C24	C25	O25	H25	64.8°	60.0°
C24	C25	C27	H271	68.1°	60.0°
C24	C25	C27	H272	171.9°	180.0°
C24	C25	C27	H273	51.9°	60.0°
C24	C25	C26	H261	131.2°	60.0°
C24	C25	C26	H262	11.2°	180.0°
C24	C25	C26	H263	108.8°	60.0°
H241	C24	C25	O25	57.8°	55.0°
H241	C24	C25	C27	61.4°	65.0°
H241	C24	C25	C26	177.2°	175.0°
H242	C24	C25	O25	179.5°	175.0°
H242	C24	C25	C27	61.2°	55.0°
H242	C24	C25	C26	60.2°	65.0°
O25	C25	C27	C26	115.8°	120.0°
O25	C25	C27	H271	172.1°	180.0°
O25	C25	C27	H272	52.1°	60.0°
O25	C25	C27	H273	67.9°	60.0°
O25	C25	C26	H261	108.2°	60.0°
O25	C25	C26	H262	131.8°	60.0°
O25	C25	C26	H263	11.7°	180.0°
C27	C25	O25	H25	56.1°	60.0°
C25	C27	H271	H272	120.0°	120.0°
C25	C27	H271	H273	120.1°	120.0°
C25	C27	H272	H273	120.1°	120.0°
C27	C25	C26	H261	8.2°	180.0°
C27	C25	C26	H262	111.8°	60.0°
C27	C25	C26	H263	128.2°	60.0°
C26	C25	O25	H25	172.3°	180.0°
C26	C25	C27	H271	56.3°	60.0°
C26	C25	C27	H272	63.7°	60.0°
C26	C25	C27	H273	176.3°	180.0°
C25	C26	H261	H262	120.0°	120.0°
C25	C26	H261	H263	120.0°	120.0°
C25	C26	H262	H263	120.0°	120.0°
H271	C27	H272	H273	120.0°	120.0°
H261	C26	H262	H263	120.0°	119.9°
O28	C29	C30	H291	119.5°	120.0°
O28	C29	C30	H292	120.0°	120.0°
O28	C29	H291	H292	119.6°	120.0°
O28	C29	C30	C31	116.6°	180.0°
O28	C29	C30	H301	2.1°	60.0°
O28	C29	C30	H302	123.4°	60.0°
C30	C29	H291	H292	119.6°	120.0°
C29	C30	C31	H301	118.7°	120.0°
C29	C30	C31	H302	120.0°	120.0°
C29	C30	H301	H302	119.2°	120.0°
C29	C30	C31	O32	47.0°	180.0°
C29	C30	C31	H311	72.0°	60.0°
C29	C30	C31	H312	167.0°	60.0°
H291	C29	C30	C31	123.9°	60.0°
H291	C29	C30	H301	117.4°	180.0°
H291	C29	C30	H302	3.9°	60.0°
H292	C29	C30	C31	3.4°	60.0°
H292	C29	C30	H301	122.1°	60.0°
H292	C29	C30	H302	116.6°	180.0°
C31	C30	H301	H302	119.2°	120.0°
C30	C31	O32	H311	119.0°	120.0°
C30	C31	O32	H312	120.0°	120.0°
C30	C31	H311	H312	119.4°	120.1°
C30	C31	O32	H32	151.5°	180.0°
H301	C30	C31	O32	165.8°	60.0°
H301	C30	C31	H311	46.7°	NaN°
H301	C30	C31	H312	74.2°	60.0°
H302	C30	C31	O32	73.0°	60.0°
H302	C30	C31	H311	168.0°	60.0°
H302	C30	C31	H312	47.0°	180.0°
O32	C31	H311	H312	119.3°	120.0°
H311	C31	O32	H32	32.5°	60.0°
H312	C31	O32	H32	88.5°	59.9°

Definition date:	2006-06-19
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	2HAR