EB1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C3	sing	0.00Å	1.42Å
O2	HO2	sing	0.00Å	0.95Å
C1	C2	sing	0.00Å	1.56Å
C1	C10	sing	0.00Å	1.53Å
C1	O1	sing	0.00Å	1.40Å
C1	H1	sing	0.00Å	1.11Å
C2	C3	sing	0.00Å	1.57Å
C2	H21	sing	0.00Å	1.11Å
C2	H22A	sing	0.00Å	1.12Å
C3	C4	sing	0.00Å	1.57Å
C3	H3	sing	0.00Å	1.12Å
C4	C5	sing	0.00Å	1.53Å
C4	H41	sing	0.00Å	1.11Å
C4	H42	sing	0.00Å	1.12Å
C5	C6	doub	0.00Å	1.36Å
C5	C10	sing	0.00Å	1.54Å
C6	C7	sing	0.00Å	1.47Å
C6	H6	sing	0.00Å	1.10Å
C7	C8	doub	0.00Å	1.34Å
C7	H7	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.57Å
C8	C14	sing	0.00Å	1.53Å
C9	C11	sing	0.00Å	1.56Å
C9	H91	sing	0.00Å	1.11Å
C9	H92	sing	0.00Å	1.12Å
C10	C19	doub	0.00Å	1.38Å
C11	C12	sing	0.00Å	1.56Å
C11	H111	sing	0.00Å	1.12Å
C11	H112	sing	0.00Å	1.12Å
C12	C13	sing	0.00Å	1.56Å
C12	H121	sing	0.00Å	1.11Å
C12	H122	sing	0.00Å	1.12Å
C13	C14	sing	0.00Å	1.58Å
C13	C17	sing	0.00Å	1.57Å
C13	C18	sing	0.00Å	1.59Å
C14	C15	sing	0.00Å	1.59Å
C14	H14	sing	0.00Å	1.11Å
C15	C16	sing	0.00Å	1.54Å
C15	H151	sing	0.00Å	1.12Å
C15	H152	sing	0.00Å	1.11Å
C16	C17	sing	0.00Å	1.58Å
C16	H161	sing	0.00Å	1.12Å
C16	H162	sing	0.00Å	1.11Å
C17	C20	sing	0.00Å	1.60Å
C17	H17	sing	0.00Å	1.11Å
C18	H181	sing	0.00Å	1.11Å
C18	H182	sing	0.00Å	1.12Å
C18	H183	sing	0.00Å	1.12Å
C19	H191	sing	0.00Å	1.10Å
C19	H192	sing	0.00Å	1.10Å
C20	C21	sing	0.00Å	1.55Å
C20	C22	sing	0.00Å	1.48Å
C20	H20	sing	0.00Å	1.12Å
C21	H211	sing	0.00Å	1.12Å
C21	H212	sing	0.00Å	1.11Å
C21	H213	sing	0.00Å	1.11Å
C22	C23	doub	0.00Å	1.33Å
C22	H22	sing	0.00Å	1.10Å
C23	C24	sing	0.00Å	1.43Å
C23	H23	sing	0.00Å	1.10Å
C24	C25	doub	0.00Å	1.32Å
C24	H24	sing	0.00Å	1.10Å
C25	C27	sing	0.00Å	1.49Å
C25	H25	sing	0.00Å	1.10Å
C27	C26	sing	0.00Å	1.57Å
C27	C28	sing	0.00Å	1.51Å
C27	O3	sing	0.00Å	1.43Å
O1	HO1	sing	0.00Å	0.95Å
C26	C31	sing	0.00Å	1.51Å
C26	H261	sing	0.00Å	1.12Å
C26	H262	sing	0.00Å	1.12Å
C28	C30	sing	0.00Å	1.61Å
C28	H281	sing	0.00Å	1.12Å
C28	H282	sing	0.00Å	1.11Å
O3	HO3	sing	0.00Å	0.95Å
C30	H301	sing	0.00Å	1.12Å
C30	H302	sing	0.00Å	1.11Å
C30	H303	sing	0.00Å	1.12Å
C31	H311	sing	0.00Å	1.12Å
C31	H312	sing	0.00Å	1.12Å
C31	H313	sing	0.00Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	O2	HO2	108.0°	90.0°
O2	C3	C2	108.1°	90.0°
O2	C3	C4	107.3°	90.0°
O2	C3	H3	113.6°	90.0°
C2	C1	C10	115.6°	90.0°
C2	C1	O1	109.2°	90.0°
C2	C1	H1	105.7°	90.0°
C1	C2	C3	108.6°	90.0°
C1	C2	H21	112.5°	90.0°
C1	C2	H22A	112.6°	90.0°
C10	C1	O1	110.5°	90.0°
C10	C1	H1	104.3°	90.0°
C1	C10	C5	111.1°	90.0°
C1	C10	C19	122.5°	90.0°
O1	C1	H1	111.3°	90.0°
C1	O1	HO1	109.3°	90.0°
C3	C2	H21	112.6°	90.0°
C3	C2	H22A	112.5°	90.0°
C2	C3	C4	114.3°	90.0°
C2	C3	H3	106.5°	90.0°
H21	C2	H22A	97.9°	90.0°
C4	C3	H3	107.2°	90.0°
C3	C4	C5	114.0°	90.0°
C3	C4	H41	110.6°	90.0°
C3	C4	H42	110.5°	90.0°
C5	C4	H41	110.5°	90.0°
C5	C4	H42	110.5°	90.0°
C4	C5	C6	115.3°	90.0°
C4	C5	C10	114.8°	90.0°
H41	C4	H42	99.8°	90.0°
C6	C5	C10	129.9°	90.0°
C5	C6	C7	127.4°	90.0°
C5	C6	H6	111.8°	90.0°
C5	C10	C19	126.4°	90.0°
C7	C6	H6	120.8°	90.0°
C6	C7	C8	127.5°	90.0°
C6	C7	H7	121.3°	90.0°
C8	C7	H7	111.2°	90.0°
C7	C8	C9	127.4°	90.0°
C7	C8	C14	119.6°	90.0°
C9	C8	C14	113.0°	90.0°
C8	C9	C11	113.4°	90.0°
C8	C9	H91	110.8°	90.0°
C8	C9	H92	110.8°	90.0°
C8	C14	C13	110.2°	90.0°
C8	C14	C15	122.4°	90.0°
C8	C14	H14	97.9°	90.0°
C11	C9	H91	110.8°	90.0°
C11	C9	H92	110.7°	90.0°
C9	C11	C12	114.1°	90.0°
C9	C11	H111	110.5°	90.0°
C9	C11	H112	110.5°	90.0°
H91	C9	H92	99.5°	90.0°
C10	C19	H191	126.5°	90.0°
C10	C19	H192	122.5°	90.0°
C12	C11	H111	110.5°	90.0°
C12	C11	H112	110.6°	90.0°
C11	C12	C13	115.3°	90.0°
C11	C12	H121	110.1°	90.0°
C11	C12	H122	110.1°	90.0°
H111	C11	H112	99.7°	90.0°
C13	C12	H121	110.1°	90.0°
C13	C12	H122	110.1°	90.0°
C12	C13	C14	111.2°	90.0°
C12	C13	C17	119.1°	90.0°
C12	C13	C18	105.1°	90.0°
H121	C12	H122	100.2°	90.0°
C14	C13	C17	95.1°	90.0°
C14	C13	C18	111.7°	90.0°
C13	C14	C15	103.9°	90.0°
C13	C14	H14	118.4°	90.0°
C17	C13	C18	114.6°	90.0°
C13	C17	C16	106.1°	90.0°
C13	C17	C20	115.9°	90.0°
C13	C17	H17	110.4°	90.0°
C13	C18	H181	105.1°	90.0°
C13	C18	H182	113.9°	90.0°
C13	C18	H183	113.9°	90.0°
C15	C14	H14	104.9°	90.0°
C14	C15	C16	105.6°	90.0°
C14	C15	H151	113.7°	90.0°
C14	C15	H152	113.7°	90.0°
C16	C15	H151	113.7°	90.0°
C16	C15	H152	113.7°	90.0°
C15	C16	C17	102.7°	90.0°
C15	C16	H161	114.7°	90.0°
C15	C16	H162	114.8°	90.0°
H151	C15	H152	96.8°	90.0°
C17	C16	H161	114.7°	90.0°
C17	C16	H162	114.8°	90.0°
C16	C17	C20	116.9°	90.0°
C16	C17	H17	109.3°	90.0°
H161	C16	H162	95.7°	90.0°
C20	C17	H17	97.8°	90.0°
C17	C20	C21	118.0°	90.0°
C17	C20	C22	114.8°	90.0°
C17	C20	H20	97.9°	90.0°
H181	C18	H182	113.8°	90.0°
H181	C18	H183	113.9°	90.0°
H182	C18	H183	96.5°	90.0°
H191	C19	H192	111.0°	90.0°
C21	C20	C22	106.2°	90.0°
C21	C20	H20	108.0°	90.0°
C20	C21	H211	117.9°	90.0°
C20	C21	H212	109.1°	90.0°
C20	C21	H213	109.1°	90.0°
C22	C20	H20	111.7°	90.0°
C20	C22	C23	111.7°	90.0°
C20	C22	H22	128.7°	90.0°
H211	C21	H212	109.1°	90.0°
H211	C21	H213	109.2°	90.0°
H212	C21	H213	101.0°	90.0°
C23	C22	H22	119.7°	90.0°
C22	C23	C24	117.5°	90.0°
C22	C23	H23	117.8°	90.0°
C24	C23	H23	124.6°	90.0°
C23	C24	C25	120.4°	90.0°
C23	C24	H24	123.8°	90.0°
C25	C24	H24	115.8°	90.0°
C24	C25	C27	126.7°	90.0°
C24	C25	H25	109.7°	90.0°
C27	C25	H25	123.7°	90.0°
C25	C27	C26	123.4°	90.0°
C25	C27	C28	101.6°	90.0°
C25	C27	O3	103.9°	90.0°
C26	C27	C28	108.2°	90.0°
C26	C27	O3	106.5°	90.0°
C27	C26	C31	115.1°	90.0°
C27	C26	H261	110.2°	90.0°
C27	C26	H262	110.1°	90.0°
C28	C27	O3	113.4°	90.0°
C27	C28	C30	114.0°	90.0°
C27	C28	H281	110.6°	90.0°
C27	C28	H282	110.6°	90.0°
C27	O3	HO3	103.9°	90.0°
C31	C26	H261	110.2°	90.0°
C31	C26	H262	110.2°	90.0°
C26	C31	H311	115.1°	90.0°
C26	C31	H312	110.1°	90.0°
C26	C31	H313	110.2°	90.0°
H261	C26	H262	100.0°	90.0°
C30	C28	H281	110.5°	90.0°
C30	C28	H282	110.5°	90.0°
C28	C30	H301	114.0°	90.0°
C28	C30	H302	110.6°	90.0°
C28	C30	H303	110.6°	90.0°
H281	C28	H282	99.7°	90.0°
H301	C30	H302	110.5°	90.0°
H301	C30	H303	110.5°	90.0°
H302	C30	H303	99.7°	90.0°
H311	C31	H312	110.2°	90.0°
H311	C31	H313	110.2°	90.0°
H312	C31	H313	100.1°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C3	C2	C1	70.3°	90.0°
O2	C3	C2	C4	119.4°	90.0°
O2	C3	C2	H3	122.4°	90.0°
O2	C3	C2	H21	55.0°	90.0°
O2	C3	C2	H22A	164.4°	90.0°
O2	C3	C4	H3	122.4°	90.0°
O2	C3	C4	C5	73.1°	90.0°
O2	C3	C4	H41	52.2°	90.0°
O2	C3	C4	H42	161.7°	90.0°
HO2	O2	C3	C2	180.0°	90.0°
HO2	O2	C3	C4	56.3°	90.0°
HO2	O2	C3	H3	62.0°	90.0°
C2	C1	C10	O1	124.7°	90.0°
C2	C1	C10	H1	115.6°	90.0°
C2	C1	O1	H1	116.3°	90.0°
C1	C2	C3	H21	125.3°	90.0°
C1	C2	C3	H22A	125.3°	90.0°
C1	C2	H21	H22A	118.5°	90.0°
C1	C2	C3	C4	49.1°	90.0°
C1	C2	C3	H3	167.3°	90.0°
C2	C1	C10	C5	54.3°	90.0°
C2	C1	C10	C19	124.7°	90.0°
C2	C1	O1	HO1	180.0°	90.0°
C10	C1	O1	H1	115.4°	90.0°
C10	C1	C2	C3	54.2°	90.0°
C10	C1	C2	H21	179.5°	90.0°
C10	C1	C2	H22A	71.0°	90.0°
C1	C10	C5	C4	48.5°	90.0°
C1	C10	C5	C6	130.8°	90.0°
C1	C10	C5	C19	178.9°	90.0°
C1	C10	C19	H191	1.1°	90.0°
C1	C10	C19	H192	179.9°	90.0°
C10	C1	O1	HO1	51.7°	90.0°
O1	C1	C2	C3	179.6°	90.0°
O1	C1	C2	H21	55.1°	90.0°
O1	C1	C2	H22A	54.4°	90.0°
O1	C1	C10	C5	179.0°	90.0°
O1	C1	C10	C19	0.1°	90.0°
H1	C1	C2	C3	60.5°	90.0°
H1	C1	C2	H21	64.8°	90.0°
H1	C1	C2	H22A	174.2°	90.0°
H1	C1	C10	C5	61.2°	90.0°
H1	C1	C10	C19	119.8°	90.0°
H1	C1	O1	HO1	63.7°	90.0°
C3	C2	H21	H22A	118.4°	90.0°
C2	C3	C4	H3	117.8°	90.0°
C2	C3	C4	C5	46.7°	90.0°
C2	C3	C4	H41	172.0°	90.0°
C2	C3	C4	H42	78.5°	90.0°
H21	C2	C3	C4	174.3°	90.0°
H21	C2	C3	H3	67.4°	90.0°
H22A	C2	C3	C4	76.2°	90.0°
H22A	C2	C3	H3	42.0°	90.0°
C3	C4	C5	H41	125.3°	90.0°
C3	C4	C5	H42	125.2°	90.0°
C3	C4	H41	H42	116.4°	90.0°
C3	C4	C5	C6	133.6°	90.0°
C3	C4	C5	C10	45.7°	90.0°
H3	C3	C4	C5	164.5°	90.0°
H3	C3	C4	H41	70.2°	90.0°
H3	C3	C4	H42	39.3°	90.0°
C5	C4	H41	H42	116.4°	90.0°
C4	C5	C6	C10	179.3°	90.0°
C4	C5	C6	C7	179.5°	90.0°
C4	C5	C6	H6	0.5°	90.0°
C4	C5	C10	C19	130.4°	90.0°
H41	C4	C5	C6	8.3°	90.0°
H41	C4	C5	C10	171.0°	90.0°
H42	C4	C5	C6	101.1°	90.0°
H42	C4	C5	C10	79.5°	90.0°
C5	C6	C7	H6	180.0°	90.0°
C5	C6	C7	C8	148.0°	90.0°
C5	C6	C7	H7	32.0°	90.0°
C6	C5	C10	C19	50.3°	90.0°
C10	C5	C6	C7	0.2°	90.0°
C10	C5	C6	H6	179.8°	90.0°
C5	C10	C19	H191	179.9°	90.0°
C5	C10	C19	H192	1.1°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	0.2°	90.0°
C6	C7	C8	C14	179.8°	90.0°
H6	C6	C7	C8	32.0°	90.0°
H6	C6	C7	H7	148.0°	90.0°
C7	C8	C9	C14	179.7°	90.0°
C7	C8	C9	C11	128.4°	90.0°
C7	C8	C9	H91	106.3°	90.0°
C7	C8	C9	H92	3.2°	90.0°
C7	C8	C14	C13	121.9°	90.0°
C7	C8	C14	C15	0.5°	90.0°
C7	C8	C14	H14	113.8°	90.0°
H7	C7	C8	C9	179.8°	90.0°
H7	C7	C8	C14	0.1°	90.0°
C8	C9	C11	H91	125.3°	90.0°
C8	C9	C11	H92	125.3°	90.0°
C8	C9	H91	H92	116.6°	90.0°
C8	C9	C11	C12	42.3°	90.0°
C8	C9	C11	H111	167.7°	90.0°
C8	C9	C11	H112	83.0°	90.0°
C9	C8	C14	C13	57.8°	90.0°
C9	C8	C14	C15	179.8°	90.0°
C9	C8	C14	H14	66.5°	90.0°
C14	C8	C9	C11	51.2°	90.0°
C14	C8	C9	H91	74.0°	90.0°
C14	C8	C9	H92	176.5°	90.0°
C8	C14	C13	C12	56.0°	90.0°
C8	C14	C13	C15	132.8°	90.0°
C8	C14	C13	H14	111.4°	90.0°
C8	C14	C13	C17	179.9°	90.0°
C8	C14	C13	C18	61.1°	90.0°
C8	C14	C15	H14	109.7°	90.0°
C8	C14	C15	C16	156.0°	90.0°
C8	C14	C15	H151	30.7°	90.0°
C8	C14	C15	H152	78.7°	90.0°
C11	C9	H91	H92	116.6°	90.0°
C9	C11	C12	H111	125.3°	90.0°
C9	C11	C12	H112	125.3°	90.0°
C9	C11	H111	H112	116.3°	90.0°
C9	C11	C12	C13	42.6°	90.0°
C9	C11	C12	H121	82.7°	90.0°
C9	C11	C12	H122	167.8°	90.0°
H91	C9	C11	C12	83.0°	90.0°
H91	C9	C11	H111	42.4°	90.0°
H91	C9	C11	H112	151.7°	90.0°
H92	C9	C11	C12	167.6°	90.0°
H92	C9	C11	H111	67.1°	90.0°
H92	C9	C11	H112	42.3°	90.0°
C10	C19	H191	H192	179.1°	90.0°
C12	C11	H111	H112	116.4°	90.0°
C11	C12	C13	H121	125.3°	90.0°
C11	C12	C13	H122	125.2°	90.0°
C11	C12	H121	H122	115.9°	90.0°
C11	C12	C13	C14	49.2°	90.0°
C11	C12	C13	C17	158.1°	90.0°
C11	C12	C13	C18	71.9°	90.0°
H111	C11	C12	C13	167.9°	90.0°
H111	C11	C12	H121	42.6°	90.0°
H111	C11	C12	H122	66.9°	90.0°
H112	C11	C12	C13	82.7°	90.0°
H112	C11	C12	H121	152.0°	90.0°
H112	C11	C12	H122	42.5°	90.0°
C13	C12	H121	H122	115.9°	90.0°
C12	C13	C14	C17	123.9°	90.0°
C12	C13	C14	C18	117.1°	90.0°
C12	C13	C17	C18	125.6°	90.0°
C12	C13	C14	C15	171.2°	90.0°
C12	C13	C14	H14	55.4°	90.0°
C12	C13	C17	C16	166.6°	90.0°
C12	C13	C17	C20	61.8°	90.0°
C12	C13	C17	H17	48.2°	90.0°
C12	C13	C18	H181	180.0°	90.0°
C12	C13	C18	H182	54.7°	90.0°
C12	C13	C18	H183	54.7°	90.0°
H121	C12	C13	C14	76.1°	90.0°
H121	C12	C13	C17	32.8°	90.0°
H121	C12	C13	C18	162.8°	90.0°
H122	C12	C13	C14	174.4°	90.0°
H122	C12	C13	C17	76.7°	90.0°
H122	C12	C13	C18	53.3°	90.0°
C14	C13	C17	C18	116.7°	90.0°
C13	C14	C15	H14	125.0°	90.0°
C13	C14	C15	C16	30.6°	90.0°
C13	C14	C15	H151	94.6°	90.0°
C13	C14	C15	H152	155.9°	90.0°
C14	C13	C17	C16	48.9°	90.0°
C14	C13	C17	C20	179.5°	90.0°
C14	C13	C17	H17	69.6°	90.0°
C14	C13	C18	H181	59.2°	90.0°
C14	C13	C18	H182	175.5°	90.0°
C14	C13	C18	H183	66.1°	90.0°
C17	C13	C14	C15	47.3°	90.0°
C17	C13	C14	H14	68.5°	90.0°
C13	C17	C16	C15	31.8°	90.0°
C13	C17	C16	C20	131.1°	90.0°
C13	C17	C16	H17	119.1°	90.0°
C13	C17	C16	H161	93.4°	90.0°
C13	C17	C16	H162	157.1°	90.0°
C13	C17	C20	H17	117.3°	90.0°
C17	C13	C18	H181	47.4°	90.0°
C17	C13	C18	H182	77.9°	90.0°
C17	C13	C18	H183	172.7°	90.0°
C13	C17	C20	C21	150.6°	90.0°
C13	C17	C20	C22	82.9°	90.0°
C13	C17	C20	H20	35.4°	90.0°
C18	C13	C14	C15	71.7°	90.0°
C18	C13	C14	H14	172.5°	90.0°
C18	C13	C17	C16	67.8°	90.0°
C18	C13	C17	C20	63.8°	90.0°
C18	C13	C17	H17	173.8°	90.0°
C13	C18	H181	H182	125.3°	90.0°
C13	C18	H181	H183	125.3°	90.0°
C13	C18	H182	H183	119.7°	90.0°
C14	C15	C16	H151	125.2°	90.0°
C14	C15	C16	H152	125.3°	90.0°
C14	C15	H151	H152	119.6°	90.0°
C14	C15	C16	C17	0.3°	90.0°
C14	C15	C16	H161	124.9°	90.0°
C14	C15	C16	H162	125.6°	90.0°
H14	C14	C15	C16	94.4°	90.0°
H14	C14	C15	H151	140.4°	90.0°
H14	C14	C15	H152	30.9°	90.0°
C16	C15	H151	H152	119.6°	90.0°
C15	C16	C17	H161	125.2°	90.0°
C15	C16	C17	H162	125.3°	90.0°
C15	C16	H161	H162	120.7°	90.0°
C15	C16	C17	C20	162.8°	90.0°
C15	C16	C17	H17	87.4°	90.0°
H151	C15	C16	C17	125.6°	90.0°
H151	C15	C16	H161	0.3°	90.0°
H151	C15	C16	H162	109.1°	90.0°
H152	C15	C16	C17	125.0°	90.0°
H152	C15	C16	H161	109.8°	90.0°
H152	C15	C16	H162	0.3°	90.0°
C17	C16	H161	H162	120.7°	90.0°
C16	C17	C20	H17	116.4°	90.0°
C16	C17	C20	C21	83.0°	90.0°
C16	C17	C20	C22	43.4°	90.0°
C16	C17	C20	H20	161.8°	90.0°
H161	C16	C17	C20	37.6°	90.0°
H161	C16	C17	H17	147.4°	90.0°
H162	C16	C17	C20	71.9°	90.0°
H162	C16	C17	H17	37.9°	90.0°
C17	C20	C21	C22	130.5°	90.0°
C17	C20	C21	H20	109.6°	90.0°
C17	C20	C22	H20	110.2°	90.0°
C17	C20	C21	H211	180.0°	90.0°
C17	C20	C21	H212	54.8°	90.0°
C17	C20	C21	H213	54.7°	90.0°
C17	C20	C22	C23	123.5°	90.0°
C17	C20	C22	H22	56.5°	90.0°
H17	C17	C20	C21	33.3°	90.0°
H17	C17	C20	C22	159.8°	90.0°
H17	C17	C20	H20	81.9°	90.0°
H181	C18	H182	H183	119.7°	90.0°
C21	C20	C22	H20	117.5°	90.0°
C20	C21	H211	H212	125.2°	90.0°
C20	C21	H211	H213	125.2°	90.0°
C20	C21	H212	H213	114.8°	90.0°
C21	C20	C22	C23	104.2°	90.0°
C21	C20	C22	H22	75.8°	90.0°
C22	C20	C21	H211	49.5°	90.0°
C22	C20	C21	H212	75.7°	90.0°
C22	C20	C21	H213	174.8°	90.0°
C20	C22	C23	H22	180.0°	90.0°
C20	C22	C23	C24	179.7°	90.0°
C20	C22	C23	H23	0.2°	90.0°
H20	C20	C21	H211	70.4°	90.0°
H20	C20	C21	H212	164.4°	90.0°
H20	C20	C21	H213	54.9°	90.0°
H20	C20	C22	C23	13.2°	90.0°
H20	C20	C22	H22	166.7°	90.0°
H211	C21	H212	H213	115.0°	90.0°
C22	C23	C24	H23	179.9°	90.0°
C22	C23	C24	C25	150.0°	90.0°
C22	C23	C24	H24	30.1°	90.0°
H22	C22	C23	C24	0.3°	90.0°
H22	C22	C23	H23	179.8°	90.0°
C23	C24	C25	H24	180.0°	90.0°
C23	C24	C25	C27	156.0°	90.0°
C23	C24	C25	H25	24.1°	90.0°
H23	C23	C24	C25	30.1°	90.0°
H23	C23	C24	H24	149.9°	90.0°
C24	C25	C27	H25	180.0°	90.0°
C24	C25	C27	C26	37.3°	90.0°
C24	C25	C27	C28	158.4°	90.0°
C24	C25	C27	O3	83.6°	90.0°
H24	C24	C25	C27	24.1°	90.0°
H24	C24	C25	H25	155.9°	90.0°
C25	C27	C26	C28	118.1°	90.0°
C25	C27	C26	O3	119.7°	90.0°
C25	C27	C28	O3	110.9°	90.0°
C25	C27	C26	C31	68.2°	90.0°
C25	C27	C26	H261	166.5°	90.0°
C25	C27	C26	H262	57.2°	90.0°
C25	C27	C28	C30	75.4°	90.0°
C25	C27	C28	H281	159.4°	90.0°
C25	C27	C28	H282	49.9°	90.0°
C25	C27	O3	HO3	180.0°	90.0°
H25	C25	C27	C26	142.7°	90.0°
H25	C25	C27	C28	21.5°	90.0°
H25	C25	C27	O3	96.5°	90.0°
C26	C27	C28	O3	117.9°	90.0°
C27	C26	C31	H261	125.3°	90.0°
C27	C26	C31	H262	125.3°	90.0°
C27	C26	H261	H262	115.9°	90.0°
C26	C27	C28	C30	55.8°	90.0°
C26	C27	C28	H281	69.5°	90.0°
C26	C27	C28	H282	178.9°	90.0°
C26	C27	O3	HO3	48.4°	90.0°
C27	C26	C31	H311	180.0°	90.0°
C27	C26	C31	H312	54.8°	90.0°
C27	C26	C31	H313	54.8°	90.0°
C28	C27	C26	C31	173.8°	90.0°
C28	C27	C26	H261	48.5°	90.0°
C28	C27	C26	H262	60.9°	90.0°
C27	C28	C30	H281	125.3°	90.0°
C27	C28	C30	H282	125.3°	90.0°
C27	C28	H281	H282	116.4°	90.0°
C28	C27	O3	HO3	70.5°	90.0°
C27	C28	C30	H301	180.0°	90.0°
C27	C28	C30	H302	54.7°	90.0°
C27	C28	C30	H303	54.7°	90.0°
O3	C27	C26	C31	51.5°	90.0°
O3	C27	C26	H261	73.8°	90.0°
O3	C27	C26	H262	176.8°	90.0°
O3	C27	C28	C30	173.7°	90.0°
O3	C27	C28	H281	48.5°	90.0°
O3	C27	C28	H282	61.0°	90.0°
C31	C26	H261	H262	116.0°	90.0°
C26	C31	H311	H312	125.2°	90.0°
C26	C31	H311	H313	125.3°	90.0°
C26	C31	H312	H313	116.0°	90.0°
H261	C26	C31	H311	54.7°	90.0°
H261	C26	C31	H312	179.9°	90.0°
H261	C26	C31	H313	70.6°	90.0°
H262	C26	C31	H311	54.7°	90.0°
H262	C26	C31	H312	70.5°	90.0°
H262	C26	C31	H313	179.9°	90.0°
C30	C28	H281	H282	116.4°	90.0°
C28	C30	H301	H302	125.3°	90.0°
C28	C30	H301	H303	125.3°	90.0°
C28	C30	H302	H303	116.4°	90.0°
H281	C28	C30	H301	54.7°	90.0°
H281	C28	C30	H302	180.0°	90.0°
H281	C28	C30	H303	70.5°	90.0°
H282	C28	C30	H301	54.7°	90.0°
H282	C28	C30	H302	70.6°	90.0°
H282	C28	C30	H303	180.0°	90.0°
H301	C30	H302	H303	116.3°	90.0°
H311	C31	H312	H313	116.0°	90.0°

Definition date:	2004-01-14
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1S0Z