Obsolete: DHO

DHO was replaced with DXC on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C1	C10	sing	1.53Å	1.51Å
C1	H11	sing	1.09Å	1.11Å
C1	H12A	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.60Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C3	O3	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	C5	sing	1.53Å	1.59Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.56Å
C5	C10	sing	1.53Å	1.59Å
C5	H5	sing	1.09Å	1.11Å
C6	C7	sing	1.53Å	1.56Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.53Å	1.58Å
C7	HC7	sing	1.09Å	1.12Å
C7	H7	sing	1.09Å	1.12Å
C8	C9	sing	1.54Å	1.59Å
C8	C14	sing	1.52Å	1.52Å
C8	H8	sing	1.09Å	1.11Å
C9	C10	sing	1.53Å	1.63Å
C9	C11	sing	1.53Å	1.57Å
C9	H9	sing	1.09Å	1.12Å
C10	C19	sing	1.53Å	1.57Å
C11	C12	sing	1.54Å	1.56Å
C11	H111	sing	1.09Å	1.11Å
C11	H112	sing	1.09Å	1.11Å
C12	O12	sing	1.43Å	1.40Å
C12	C13	sing	1.51Å	1.58Å
C12	H12	sing	1.09Å	1.12Å
O12	HO12	sing	0.97Å	0.95Å
C13	C14	sing	1.55Å	1.58Å
C13	C17	sing	1.52Å	1.55Å
C13	C18	sing	1.53Å	1.60Å
C14	C15	sing	1.53Å	1.56Å
C14	H14	sing	1.09Å	1.12Å
C15	C16	sing	1.55Å	1.54Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C16	C17	sing	1.55Å	1.57Å
C16	H161	sing	1.09Å	1.11Å
C16	H162	sing	1.09Å	1.12Å
C17	C20	sing	1.53Å	1.58Å
C17	H17	sing	1.09Å	1.12Å
C18	H181	sing	1.09Å	1.12Å
C18	H182	sing	1.09Å	1.11Å
C18	H183	sing	1.09Å	1.11Å
C19	H191	sing	1.09Å	1.11Å
C19	H192	sing	1.09Å	1.11Å
C19	H193	sing	1.09Å	1.11Å
C20	C21	sing	1.53Å	1.48Å
C20	C22	sing	1.53Å	1.61Å
C20	H20	sing	1.09Å	1.11Å
C21	H211	sing	1.09Å	1.11Å
C21	H212	sing	1.09Å	1.12Å
C21	H213	sing	1.09Å	1.11Å
C22	C23	sing	1.53Å	1.53Å
C22	H221	sing	1.09Å	1.11Å
C22	H222	sing	1.09Å	1.12Å
C23	C24	sing	1.51Å	1.47Å
C23	H231	sing	1.09Å	1.12Å
C23	H232	sing	1.09Å	1.11Å
O25	C24	doub	1.21Å	1.24Å
C24	O26	sing	1.34Å	1.24Å
O26	H26	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C10	115.1°	109.5°
C2	C1	H11	110.1°	109.5°
C2	C1	H12A	110.1°	109.4°
C1	C2	C3	107.4°	109.5°
C1	C2	H21	113.0°	109.4°
C1	C2	H22	113.0°	109.5°
C10	C1	H11	110.1°	109.5°
C10	C1	H12A	110.1°	109.5°
C1	C10	C5	108.0°	109.4°
C1	C10	C9	111.9°	109.5°
C1	C10	C19	109.0°	109.5°
H11	C1	H12A	100.1°	109.5°
C3	C2	H21	113.0°	109.5°
C3	C2	H22	113.0°	109.5°
C2	C3	O3	109.4°	109.5°
C2	C3	C4	109.5°	109.5°
C2	C3	H3	109.7°	109.4°
H21	C2	H22	97.5°	109.4°
O3	C3	C4	109.8°	109.5°
O3	C3	H3	109.2°	109.4°
C3	O3	HO3	109.4°	106.8°
C4	C3	H3	109.2°	109.5°
C3	C4	C5	110.4°	109.5°
C3	C4	H41	111.9°	109.4°
C3	C4	H42	111.9°	109.4°
C5	C4	H41	111.9°	109.5°
C5	C4	H42	111.9°	109.5°
C4	C5	C6	112.5°	109.4°
C4	C5	C10	109.8°	109.4°
C4	C5	H5	107.5°	109.5°
H41	C4	H42	98.5°	109.5°
C6	C5	C10	110.5°	109.5°
C6	C5	H5	106.7°	109.5°
C5	C6	C7	110.3°	109.6°
C5	C6	H61	111.9°	109.5°
C5	C6	H62	111.9°	109.5°
C10	C5	H5	109.6°	109.5°
C5	C10	C9	108.4°	110.1°
C5	C10	C19	110.4°	109.6°
C7	C6	H61	111.9°	109.5°
C7	C6	H62	111.9°	109.4°
C6	C7	C8	112.2°	109.5°
C6	C7	HC7	111.2°	109.5°
C6	C7	H7	111.2°	109.5°
H61	C6	H62	98.6°	109.4°
C8	C7	HC7	111.2°	109.5°
C8	C7	H7	111.2°	109.5°
C7	C8	C9	107.3°	109.9°
C7	C8	C14	112.2°	110.4°
C7	C8	H8	108.9°	109.8°
HC7	C7	H7	99.1°	109.4°
C9	C8	C14	108.8°	107.3°
C9	C8	H8	112.3°	109.7°
C8	C9	C10	110.6°	109.2°
C8	C9	C11	108.5°	111.9°
C8	C9	H9	110.0°	108.0°
C14	C8	H8	107.4°	109.7°
C8	C14	C13	114.8°	107.7°
C8	C14	C15	116.7°	115.8°
C8	C14	H14	98.4°	110.3°
C10	C9	C11	111.3°	110.0°
C10	C9	H9	107.2°	108.9°
C9	C10	C19	109.2°	108.7°
C11	C9	H9	109.3°	108.9°
C9	C11	C12	110.6°	111.3°
C9	C11	H111	111.8°	109.1°
C9	C11	H112	111.8°	109.1°
C10	C19	H191	108.9°	109.4°
C10	C19	H192	112.3°	109.5°
C10	C19	H193	112.3°	109.5°
C12	C11	H111	111.8°	109.1°
C12	C11	H112	111.8°	109.1°
C11	C12	O12	108.7°	109.9°
C11	C12	C13	111.3°	108.8°
C11	C12	H12	109.0°	109.8°
H111	C11	H112	98.6°	109.1°
O12	C12	C13	110.0°	107.5°
O12	C12	H12	110.2°	109.9°
C12	O12	HO12	108.7°	106.8°
C13	C12	H12	107.6°	110.9°
C12	C13	C14	105.7°	108.6°
C12	C13	C17	119.3°	118.2°
C12	C13	C18	110.4°	109.8°
C14	C13	C17	97.0°	103.3°
C14	C13	C18	109.1°	106.5°
C13	C14	C15	103.5°	101.7°
C13	C14	H14	112.9°	110.4°
C17	C13	C18	113.6°	109.8°
C13	C17	C16	103.7°	105.4°
C13	C17	C20	118.4°	110.3°
C13	C17	H17	109.0°	110.3°
C13	C18	H181	110.4°	109.5°
C13	C18	H182	111.8°	109.5°
C13	C18	H183	111.8°	109.5°
C15	C14	H14	110.8°	110.4°
C14	C15	C16	103.0°	102.9°
C14	C15	H151	114.7°	110.7°
C14	C15	H152	114.7°	110.8°
C16	C15	H151	114.7°	110.7°
C16	C15	H152	114.6°	110.7°
C15	C16	C17	106.4°	106.4°
C15	C16	H161	113.4°	110.0°
C15	C16	H162	113.4°	110.1°
H151	C15	H152	95.8°	110.7°
C17	C16	H161	113.4°	110.1°
C17	C16	H162	113.3°	110.1°
C16	C17	C20	113.3°	110.3°
C16	C17	H17	114.5°	110.2°
H161	C16	H162	97.1°	110.1°
C20	C17	H17	98.3°	110.3°
C17	C20	C21	118.1°	109.5°
C17	C20	C22	109.1°	109.5°
C17	C20	H20	103.9°	109.4°
H181	C18	H182	111.9°	109.5°
H181	C18	H183	111.9°	109.5°
H182	C18	H183	98.6°	109.4°
H191	C19	H192	112.4°	109.5°
H191	C19	H193	112.4°	109.4°
H192	C19	H193	98.1°	109.4°
C21	C20	C22	110.5°	109.5°
C21	C20	H20	102.4°	109.5°
C20	C21	H211	118.1°	109.5°
C20	C21	H212	109.1°	109.5°
C20	C21	H213	109.1°	109.5°
C22	C20	H20	112.6°	109.5°
C20	C22	C23	118.7°	109.5°
C20	C22	H221	108.9°	109.5°
C20	C22	H222	108.9°	109.4°
H211	C21	H212	109.1°	109.4°
H211	C21	H213	109.1°	109.4°
H212	C21	H213	101.0°	109.4°
C23	C22	H221	108.9°	109.5°
C23	C22	H222	108.8°	109.5°
C22	C23	C24	113.4°	109.5°
C22	C23	H231	110.8°	109.4°
C22	C23	H232	110.7°	109.5°
H221	C22	H222	101.2°	109.4°
C24	C23	H231	110.7°	109.5°
C24	C23	H232	110.7°	109.5°
C23	C24	O25	123.7°	120.0°
C23	C24	O26	117.6°	120.0°
H231	C23	H232	99.6°	109.5°
O25	C24	O26	118.6°	120.0°
C24	O26	H26	117.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C10	H11	125.3°	120.0°
C2	C1	C10	H12A	125.2°	120.0°
C2	C1	H11	H12A	116.0°	120.0°
C1	C2	C3	H21	125.2°	120.0°
C1	C2	C3	H22	125.3°	120.0°
C1	C2	H21	H22	118.9°	120.0°
C1	C2	C3	O3	179.4°	180.0°
C1	C2	C3	C4	59.0°	59.9°
C1	C2	C3	H3	60.8°	60.1°
C2	C1	C10	C5	59.0°	60.1°
C2	C1	C10	C9	60.3°	60.7°
C2	C1	C10	C19	178.9°	179.8°
C10	C1	H11	H12A	116.0°	120.0°
C10	C1	C2	C3	60.5°	60.0°
C10	C1	C2	H21	174.3°	60.0°
C10	C1	C2	H22	64.8°	180.0°
C1	C10	C5	C4	54.8°	60.1°
C1	C10	C5	C6	179.5°	180.0°
C1	C10	C5	C9	121.4°	120.4°
C1	C10	C5	C19	119.1°	120.0°
C1	C10	C5	H5	63.1°	59.9°
C1	C10	C9	C8	178.3°	179.5°
C1	C10	C9	C19	120.7°	119.6°
C1	C10	C9	C11	61.1°	57.4°
C1	C10	C9	H9	58.3°	61.8°
C1	C10	C19	H191	180.0°	60.0°
C1	C10	C19	H192	54.8°	180.0°
C1	C10	C19	H193	54.7°	60.0°
H11	C1	C2	C3	174.3°	180.0°
H11	C1	C2	H21	49.1°	60.0°
H11	C1	C2	H22	60.4°	59.9°
H11	C1	C10	C5	175.8°	179.9°
H11	C1	C10	C9	65.0°	59.3°
H11	C1	C10	C19	55.8°	59.8°
H12A	C1	C2	C3	64.8°	60.0°
H12A	C1	C2	H21	60.5°	180.0°
H12A	C1	C2	H22	170.0°	60.1°
H12A	C1	C10	C5	66.3°	59.9°
H12A	C1	C10	C9	174.5°	179.3°
H12A	C1	C10	C19	53.7°	60.2°
C3	C2	H21	H22	118.9°	120.0°
C2	C3	O3	C4	120.2°	120.0°
C2	C3	O3	H3	120.1°	119.9°
C2	C3	C4	H3	120.1°	120.0°
C2	C3	O3	HO3	179.9°	59.9°
C2	C3	C4	C5	59.9°	60.0°
C2	C3	C4	H41	174.8°	60.1°
C2	C3	C4	H42	65.4°	180.0°
H21	C2	C3	O3	55.4°	60.0°
H21	C2	C3	C4	175.8°	60.1°
H21	C2	C3	H3	64.5°	179.9°
H22	C2	C3	O3	54.1°	60.0°
H22	C2	C3	C4	66.3°	180.0°
H22	C2	C3	H3	173.9°	59.9°
O3	C3	C4	H3	119.8°	120.0°
O3	C3	C4	C5	179.9°	180.0°
O3	C3	C4	H41	54.6°	59.9°
O3	C3	C4	H42	54.8°	60.0°
C4	C3	O3	HO3	59.7°	180.0°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.3°	119.9°
C3	C4	H41	H42	117.7°	119.9°
C3	C4	C5	C6	178.2°	180.0°
C3	C4	C5	C10	58.2°	60.1°
C3	C4	C5	H5	61.0°	59.9°
H3	C3	O3	HO3	60.0°	60.0°
H3	C3	C4	C5	60.2°	60.0°
H3	C3	C4	H41	65.2°	179.9°
H3	C3	C4	H42	174.5°	60.0°
C5	C4	H41	H42	117.8°	120.1°
C4	C5	C6	C10	123.2°	119.9°
C4	C5	C6	H5	117.6°	120.0°
C4	C5	C10	H5	117.9°	120.0°
C4	C5	C6	C7	64.5°	60.2°
C4	C5	C6	H61	170.2°	59.9°
C4	C5	C6	H62	60.7°	179.8°
C4	C5	C10	C9	66.6°	60.3°
C4	C5	C10	C19	173.9°	179.9°
H41	C4	C5	C6	52.9°	60.0°
H41	C4	C5	C10	176.5°	59.9°
H41	C4	C5	H5	64.3°	180.0°
H42	C4	C5	C6	56.5°	60.0°
H42	C4	C5	C10	67.1°	180.0°
H42	C4	C5	H5	173.7°	60.0°
C6	C5	C10	H5	117.4°	120.1°
C5	C6	C7	H61	125.3°	120.1°
C5	C6	C7	H62	125.2°	120.0°
C5	C6	H61	H62	117.8°	120.0°
C5	C6	C7	C8	59.9°	60.0°
C5	C6	C7	HC7	174.8°	60.0°
C5	C6	C7	H7	65.4°	180.0°
C6	C5	C10	C9	58.1°	59.6°
C6	C5	C10	C19	61.4°	59.9°
C10	C5	C6	C7	58.6°	59.7°
C10	C5	C6	H61	66.6°	179.8°
C10	C5	C6	H62	176.1°	60.3°
C5	C10	C9	C8	59.2°	59.1°
C5	C10	C9	C19	120.3°	120.1°
C5	C10	C9	C11	179.8°	177.8°
C5	C10	C9	H9	60.7°	58.6°
C5	C10	C19	H191	61.5°	60.0°
C5	C10	C19	H192	173.3°	60.0°
C5	C10	C19	H193	63.8°	180.0°
H5	C5	C6	C7	177.8°	179.8°
H5	C5	C6	H61	52.5°	60.1°
H5	C5	C6	H62	57.0°	59.8°
H5	C5	C10	C9	175.5°	179.7°
H5	C5	C10	C19	56.0°	60.1°
C7	C6	H61	H62	117.8°	119.9°
C6	C7	C8	HC7	125.3°	120.0°
C6	C7	C8	H7	125.3°	120.1°
C6	C7	HC7	H7	117.1°	120.0°
C6	C7	C8	C9	59.2°	59.8°
C6	C7	C8	C14	178.7°	178.0°
C6	C7	C8	H8	62.6°	60.9°
H61	C6	C7	C8	65.3°	180.0°
H61	C6	C7	HC7	59.9°	60.0°
H61	C6	C7	H7	169.4°	59.9°
H62	C6	C7	C8	174.9°	60.0°
H62	C6	C7	HC7	49.6°	179.9°
H62	C6	C7	H7	59.9°	60.0°
C8	C7	HC7	H7	117.0°	120.0°
C7	C8	C9	C14	121.6°	120.1°
C7	C8	C9	H8	119.6°	120.8°
C7	C8	C14	H8	119.6°	121.1°
C7	C8	C9	C10	58.8°	59.2°
C7	C8	C9	C11	179.0°	178.8°
C7	C8	C9	H9	59.4°	59.0°
C7	C8	C14	C13	178.7°	176.3°
C7	C8	C14	C15	60.0°	63.3°
C7	C8	C14	H14	58.5°	63.1°
HC7	C7	C8	C9	175.5°	60.2°
HC7	C7	C8	C14	56.0°	58.0°
HC7	C7	C8	H8	62.7°	179.1°
H7	C7	C8	C9	66.1°	179.9°
H7	C7	C8	C14	53.4°	61.9°
H7	C7	C8	H8	172.1°	59.2°
C9	C8	C14	H8	121.8°	119.1°
C8	C9	C10	C11	120.6°	123.1°
C8	C9	C10	H9	119.9°	117.7°
C8	C9	C11	H9	120.0°	119.3°
C8	C9	C10	C19	61.1°	60.9°
C8	C9	C11	C12	59.0°	54.6°
C8	C9	C11	H111	175.8°	175.1°
C8	C9	C11	H112	66.3°	65.8°
C9	C8	C14	C13	60.1°	63.9°
C9	C8	C14	C15	178.6°	176.9°
C9	C8	C14	H14	60.0°	56.7°
C14	C8	C9	C10	179.6°	179.3°
C14	C8	C9	C11	57.3°	58.7°
C14	C8	C9	H9	62.2°	61.1°
C8	C14	C13	C12	58.7°	67.2°
C8	C14	C13	C15	128.3°	122.2°
C8	C14	C13	H14	111.8°	120.5°
C8	C14	C13	C17	178.1°	166.5°
C8	C14	C13	C18	60.1°	50.9°
C8	C14	C15	H14	111.6°	126.3°
C8	C14	C15	C16	161.5°	158.0°
C8	C14	C15	H151	36.2°	83.6°
C8	C14	C15	H152	73.2°	39.7°
H8	C8	C9	C10	60.8°	61.5°
H8	C8	C9	C11	61.4°	60.4°
H8	C8	C9	H9	179.0°	179.8°
H8	C8	C14	C13	61.7°	55.2°
H8	C8	C14	C15	59.6°	57.8°
H8	C8	C14	H14	178.1°	175.8°
C10	C9	C11	H9	118.2°	119.2°
C10	C9	C11	C12	179.1°	176.1°
C10	C9	C11	H111	53.9°	63.4°
C10	C9	C11	H112	55.6°	55.7°
C9	C10	C19	H191	57.6°	179.6°
C9	C10	C19	H192	67.7°	60.4°
C9	C10	C19	H193	177.2°	59.6°
C11	C9	C10	C19	59.5°	62.2°
C9	C11	C12	H111	125.2°	120.5°
C9	C11	C12	H112	125.3°	120.4°
C9	C11	H111	H112	117.7°	119.1°
C9	C11	C12	O12	60.4°	62.1°
C9	C11	C12	C13	61.0°	55.3°
C9	C11	C12	H12	179.5°	176.8°
H9	C9	C10	C19	179.0°	178.6°
H9	C9	C11	C12	61.0°	64.7°
H9	C9	C11	H111	64.3°	55.8°
H9	C9	C11	H112	173.8°	174.9°
C10	C19	H191	H192	125.2°	120.0°
C10	C19	H191	H193	125.2°	120.1°
C10	C19	H192	H193	118.3°	120.1°
C12	C11	H111	H112	117.7°	119.1°
C11	C12	O12	C13	122.1°	118.2°
C11	C12	O12	H12	119.4°	121.0°
C11	C12	C13	H12	119.4°	120.9°
C11	C12	O12	HO12	180.0°	60.0°
C11	C12	C13	C14	57.0°	61.3°
C11	C12	C13	C17	164.7°	178.3°
C11	C12	C13	C18	60.9°	54.8°
H111	C11	C12	O12	64.9°	58.4°
H111	C11	C12	C13	173.8°	175.8°
H111	C11	C12	H12	55.2°	62.7°
H112	C11	C12	O12	174.4°	177.5°
H112	C11	C12	C13	64.3°	65.1°
H112	C11	C12	H12	54.3°	56.4°
O12	C12	C13	H12	120.1°	120.1°
O12	C12	C13	C14	63.5°	57.7°
O12	C12	C13	C17	44.2°	59.4°
O12	C12	C13	C18	178.5°	173.7°
C13	C12	O12	HO12	57.9°	178.2°
C12	C13	C14	C17	123.1°	126.2°
C12	C13	C14	C18	118.8°	118.1°
C12	C13	C17	C18	133.0°	126.9°
C12	C13	C14	C15	172.9°	170.5°
C12	C13	C14	H14	53.1°	53.3°
C12	C13	C17	C16	158.4°	149.0°
C12	C13	C17	C20	75.1°	92.1°
C12	C13	C17	H17	36.1°	30.0°
C12	C13	C18	H181	180.0°	53.7°
C12	C13	C18	H182	54.7°	173.7°
C12	C13	C18	H183	54.7°	66.3°
H12	C12	O12	HO12	60.6°	61.0°
H12	C12	C13	C14	176.4°	177.8°
H12	C12	C13	C17	75.9°	60.8°
H12	C12	C13	C18	58.5°	66.1°
C14	C13	C17	C18	114.5°	113.3°
C13	C14	C15	H14	121.3°	117.2°
C13	C14	C15	C16	34.4°	41.5°
C13	C14	C15	H151	90.9°	159.9°
C13	C14	C15	H152	159.6°	76.8°
C14	C13	C17	C16	45.9°	29.1°
C14	C13	C17	C20	172.4°	148.1°
C14	C13	C17	H17	76.4°	89.8°
C14	C13	C18	H181	64.1°	63.7°
C14	C13	C18	H182	170.5°	56.4°
C14	C13	C18	H183	61.1°	176.3°
C17	C13	C14	C15	49.8°	44.3°
C17	C13	C14	H14	70.1°	72.9°
C13	C17	C16	C15	26.6°	3.4°
C13	C17	C16	C20	129.7°	119.0°
C13	C17	C16	H17	118.6°	119.0°
C13	C17	C16	H161	98.7°	122.6°
C13	C17	C16	H162	151.8°	115.9°
C13	C17	C20	H17	116.9°	122.1°
C17	C13	C18	H181	42.9°	174.8°
C17	C13	C18	H182	82.4°	54.8°
C17	C13	C18	H183	168.2°	65.2°
C13	C17	C20	C21	59.5°	61.3°
C13	C17	C20	C22	173.3°	178.7°
C13	C17	C20	H20	53.0°	58.7°
C18	C13	C14	C15	68.3°	71.4°
C18	C13	C14	H14	171.8°	171.4°
C18	C13	C17	C16	68.6°	84.2°
C18	C13	C17	C20	58.0°	34.8°
C18	C13	C17	H17	169.1°	156.9°
C13	C18	H181	H182	125.3°	120.0°
C13	C18	H181	H183	125.2°	120.0°
C13	C18	H182	H183	117.7°	120.0°
C14	C15	C16	H151	125.3°	118.4°
C14	C15	C16	H152	125.3°	118.4°
C14	C15	H151	H152	120.5°	123.3°
C14	C15	C16	C17	5.0°	23.9°
C14	C15	C16	H161	130.3°	95.3°
C14	C15	C16	H162	120.2°	143.2°
H14	C14	C15	C16	86.9°	75.7°
H14	C14	C15	H151	147.8°	42.7°
H14	C14	C15	H152	38.3°	166.0°
C16	C15	H151	H152	120.5°	123.2°
C15	C16	C17	H161	125.3°	119.2°
C15	C16	C17	H162	125.3°	119.3°
C15	C16	H161	H162	119.3°	121.5°
C15	C16	C17	C20	156.2°	122.4°
C15	C16	C17	H17	92.0°	115.6°
H151	C15	C16	C17	120.3°	142.3°
H151	C15	C16	H161	5.0°	23.1°
H151	C15	C16	H162	114.5°	98.4°
H152	C15	C16	C17	130.3°	94.5°
H152	C15	C16	H161	104.4°	146.3°
H152	C15	C16	H162	5.1°	24.8°
C17	C16	H161	H162	119.3°	121.6°
C16	C17	C20	H17	121.3°	121.9°
C16	C17	C20	C21	178.7°	177.3°
C16	C17	C20	C22	51.5°	62.7°
C16	C17	C20	H20	68.8°	57.3°
H161	C16	C17	C20	30.9°	118.4°
H161	C16	C17	H17	142.7°	3.6°
H162	C16	C17	C20	78.5°	3.2°
H162	C16	C17	H17	33.2°	125.1°
C17	C20	C21	C22	126.5°	120.0°
C17	C20	C21	H20	113.3°	120.0°
C17	C20	C22	H20	114.8°	120.0°
C17	C20	C21	H211	180.0°	60.0°
C17	C20	C21	H212	54.8°	60.0°
C17	C20	C21	H213	54.7°	180.0°
C17	C20	C22	C23	112.8°	NaN°
C17	C20	C22	H221	121.9°	60.0°
C17	C20	C22	H222	12.4°	60.0°
H17	C17	C20	C21	57.4°	60.8°
H17	C17	C20	C22	69.8°	59.3°
H17	C17	C20	H20	169.9°	179.2°
H181	C18	H182	H183	117.8°	120.0°
H191	C19	H192	H193	118.4°	120.0°
C21	C20	C22	H20	113.8°	120.0°
C20	C21	H211	H212	125.2°	120.1°
C20	C21	H211	H213	125.3°	120.0°
C20	C21	H212	H213	114.8°	120.0°
C21	C20	C22	C23	18.6°	60.0°
C21	C20	C22	H221	106.7°	180.0°
C21	C20	C22	H222	143.8°	60.0°
C22	C20	C21	H211	53.4°	60.0°
C22	C20	C21	H212	71.8°	180.0°
C22	C20	C21	H213	178.7°	60.0°
C20	C22	C23	H221	125.3°	120.0°
C20	C22	C23	H222	125.3°	120.0°
C20	C22	H221	H222	114.7°	119.9°
C20	C22	C23	C24	177.0°	180.0°
C20	C22	C23	H231	57.8°	60.0°
C20	C22	C23	H232	51.8°	59.9°
H20	C20	C21	H211	66.7°	180.0°
H20	C20	C21	H212	168.1°	60.0°
H20	C20	C21	H213	58.6°	60.0°
H20	C20	C22	C23	132.4°	60.0°
H20	C20	C22	H221	7.1°	60.0°
H20	C20	C22	H222	102.4°	179.9°
H211	C21	H212	H213	114.9°	119.9°
C23	C22	H221	H222	114.5°	120.0°
C22	C23	C24	H231	125.2°	119.9°
C22	C23	C24	H232	125.2°	120.0°
C22	C23	H231	H232	116.7°	120.0°
C22	C23	C24	O25	114.0°	0.0°
C22	C23	C24	O26	66.3°	180.0°
H221	C22	C23	C24	51.7°	60.0°
H221	C22	C23	H231	176.9°	180.0°
H221	C22	C23	H232	73.5°	60.1°
H222	C22	C23	C24	57.7°	60.0°
H222	C22	C23	H231	67.5°	60.0°
H222	C22	C23	H232	177.1°	179.9°
C24	C23	H231	H232	116.6°	120.0°
C23	C24	O25	O26	179.7°	179.9°
C23	C24	O26	H26	180.0°	180.0°
H231	C23	C24	O25	11.3°	119.9°
H231	C23	C24	O26	168.5°	60.0°
H232	C23	C24	O25	120.8°	120.1°
H232	C23	C24	O26	58.9°	60.0°
O25	C24	O26	H26	0.2°	0.0°

Definition date:	2000-09-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	EBI
Replaced by:	DXC
Derived from:	1FM4