7E8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O22	C19	sing	1.43Å	1.44Å
C19	C18	sing	1.53Å	1.53Å
O20	C18	sing	1.43Å	1.43Å
C17	O16	sing	1.45Å	1.42Å
C17	C18	sing	1.53Å	1.52Å
O16	C8	sing	1.34Å	1.45Å
C8	O15	doub	1.21Å	1.22Å
C8	C7	sing	1.51Å	1.51Å
C7	C6	sing	1.53Å	1.53Å
C6	C5	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.53Å
C4	C3	sing	1.53Å	1.52Å
C3	C2	sing	1.51Å	1.51Å
C2	C1	doub	1.31Å	1.33Å
C1	C9	sing	1.51Å	1.51Å
C9	C10	sing	1.53Å	1.52Å
C10	C11	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.53Å
C13	C14	sing	1.53Å	1.51Å
O22	H22	sing	0.97Å	0.95Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
O20	H20	sing	0.97Å	0.95Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C6	H61C	sing	1.09Å	1.10Å
C6	H62C	sing	1.09Å	1.10Å
C5	H51C	sing	1.09Å	1.10Å
C5	H52C	sing	1.09Å	1.10Å
C4	H41C	sing	1.09Å	1.10Å
C4	H42C	sing	1.09Å	1.10Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C9	H91C	sing	1.09Å	1.10Å
C9	H92C	sing	1.09Å	1.10Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C14	H143	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O22	C19	C18	110.6°	109.5°
C19	O22	H22	109.5°	114.0°
O22	C19	H191	109.1°	109.5°
O22	C19	H192	109.1°	109.5°
C19	C18	O20	110.5°	109.5°
C19	C18	C17	110.3°	109.5°
C18	C19	H191	109.1°	109.5°
C18	C19	H192	109.1°	109.4°
C19	C18	H18	107.7°	109.5°
O20	C18	C17	107.6°	109.5°
O20	C18	H18	110.4°	109.5°
C18	O20	H20	109.5°	114.0°
O16	C17	C18	108.9°	109.5°
C17	O16	C8	117.0°	117.0°
O16	C17	H171	109.7°	109.4°
O16	C17	H172	109.7°	109.5°
C17	C18	H18	110.5°	109.5°
C18	C17	H171	109.7°	109.5°
C18	C17	H172	109.7°	109.5°
O16	C8	O15	117.5°	120.0°
O16	C8	C7	122.1°	120.0°
O15	C8	C7	120.4°	120.0°
C8	C7	C6	108.6°	109.5°
C8	C7	H7	109.8°	109.5°
C8	C7	H8	109.8°	109.5°
C7	C6	C5	112.3°	109.5°
C6	C7	H7	109.8°	109.5°
C6	C7	H8	109.7°	109.4°
C7	C6	H61C	108.6°	109.5°
C7	C6	H62C	108.5°	109.4°
C6	C5	C4	110.5°	109.4°
C5	C6	H61C	108.5°	109.6°
C5	C6	H62C	108.6°	109.5°
C6	C5	H51C	109.1°	109.5°
C6	C5	H52C	109.2°	109.5°
C5	C4	C3	110.2°	109.4°
C4	C5	H51C	109.2°	109.5°
C4	C5	H52C	109.1°	109.5°
C5	C4	H41C	109.2°	109.5°
C5	C4	H42C	109.2°	109.5°
C4	C3	C2	110.8°	109.5°
C3	C4	H41C	109.2°	109.5°
C3	C4	H42C	109.2°	109.5°
C4	C3	H31C	109.0°	109.5°
C4	C3	H32C	109.0°	109.5°
C3	C2	C1	119.3°	120.0°
C2	C3	H31C	109.0°	109.5°
C2	C3	H32C	109.0°	109.5°
C3	C2	H2	120.3°	120.0°
C2	C1	C9	119.8°	120.0°
C1	C2	H2	120.4°	120.0°
C2	C1	H1	120.1°	120.0°
C1	C9	C10	109.5°	109.5°
C9	C1	H1	120.1°	120.0°
C1	C9	H91C	109.4°	109.4°
C1	C9	H92C	109.5°	109.5°
C9	C10	C11	111.3°	109.5°
C10	C9	H91C	109.5°	109.5°
C10	C9	H92C	109.4°	109.5°
C9	C10	H101	108.9°	109.5°
C9	C10	H102	108.9°	109.5°
C10	C11	C12	112.6°	109.5°
C11	C10	H101	108.9°	109.4°
C11	C10	H102	108.9°	109.5°
C10	C11	H111	108.5°	109.4°
C10	C11	H112	108.4°	109.4°
C11	C12	C13	111.4°	109.4°
C12	C11	H111	108.4°	109.5°
C12	C11	H112	108.5°	109.5°
C11	C12	H121	108.8°	109.5°
C11	C12	H122	108.8°	109.4°
C12	C13	C14	112.2°	109.4°
C13	C12	H121	108.8°	109.5°
C13	C12	H122	108.9°	109.5°
C12	C13	H131	108.6°	109.5°
C12	C13	H132	108.6°	109.5°
C14	C13	H131	108.6°	109.5°
C14	C13	H132	108.6°	109.4°
C13	C14	H141	109.5°	109.5°
C13	C14	H142	109.5°	109.5°
C13	C14	H143	109.5°	109.5°
H191	C19	H192	109.9°	109.5°
H171	C17	H172	109.3°	109.5°
H7	C7	H8	109.2°	109.5°
H61C	C6	H62C	110.4°	109.4°
H51C	C5	H52C	109.8°	109.5°
H41C	C4	H42C	109.7°	109.5°
H31C	C3	H32C	109.9°	109.5°
H91C	C9	H92C	109.5°	109.4°
H101	C10	H102	110.1°	109.5°
H111	C11	H112	110.4°	109.5°
H121	C12	H122	110.1°	109.5°
H131	C13	H132	110.3°	109.5°
H141	C14	H142	109.4°	109.5°
H141	C14	H143	109.5°	109.4°
H142	C14	H143	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O22	C19	C18	H191	120.0°	120.1°
O22	C19	C18	H192	120.0°	119.9°
O22	C19	C18	O20	169.9°	65.1°
O22	C19	C18	C17	71.3°	175.0°
O22	C19	H191	H192	119.6°	120.0°
O22	C19	C18	H18	49.4°	55.0°
C19	C18	O20	C17	120.4°	120.0°
C19	C18	O20	H18	118.9°	120.1°
C19	C18	C17	O16	173.8°	175.0°
C19	C18	C17	H18	118.9°	120.0°
C18	C19	O22	H22	180.0°	180.0°
C18	C19	H191	H192	119.5°	119.9°
C19	C18	O20	H20	180.0°	60.0°
C19	C18	C17	H171	53.8°	55.0°
C19	C18	C17	H172	66.2°	65.0°
O20	C18	C17	O16	65.6°	65.0°
O20	C18	C17	H18	120.5°	120.0°
O20	C18	C19	H191	49.9°	55.0°
O20	C18	C19	H192	70.1°	175.0°
O20	C18	C17	H171	174.4°	175.0°
O20	C18	C17	H172	54.4°	55.0°
O16	C17	C18	H171	120.0°	120.0°
O16	C17	C18	H172	120.0°	120.0°
C17	O16	C8	O15	34.7°	0.0°
C17	O16	C8	C7	145.4°	180.0°
O16	C17	C18	H18	54.9°	55.0°
O16	C17	H171	H172	120.2°	120.0°
C18	C17	O16	C8	167.8°	180.0°
C17	C18	C19	H191	168.7°	65.0°
C17	C18	C19	H192	48.7°	55.0°
C17	C18	O20	H20	59.6°	60.0°
C18	C17	H171	H172	120.2°	120.0°
O16	C8	O15	C7	180.0°	180.0°
O16	C8	C7	C6	167.9°	180.0°
C8	O16	C17	H171	47.8°	60.0°
C8	O16	C17	H172	72.2°	60.0°
O16	C8	C7	H7	47.9°	60.0°
O16	C8	C7	H8	72.1°	60.0°
O15	C8	C7	C6	12.1°	0.0°
O15	C8	C7	H7	132.1°	120.0°
O15	C8	C7	H8	107.9°	120.0°
C8	C7	C6	H7	120.0°	120.0°
C8	C7	C6	H8	120.0°	120.0°
C8	C7	C6	C5	177.2°	180.0°
C8	C7	H7	H8	120.4°	120.0°
C8	C7	C6	H61C	57.2°	59.9°
C8	C7	C6	H62C	62.8°	60.0°
C7	C6	C5	H61C	120.0°	120.0°
C7	C6	C5	H62C	120.0°	119.9°
C7	C6	C5	C4	120.7°	180.0°
C6	C7	H7	H8	120.3°	120.0°
C7	C6	H61C	H62C	118.9°	119.9°
C7	C6	C5	H51C	119.3°	60.0°
C7	C6	C5	H52C	0.6°	60.0°
C6	C5	C4	H51C	120.0°	120.0°
C6	C5	C4	H52C	120.0°	120.0°
C6	C5	C4	C3	125.6°	180.0°
C5	C6	C7	H7	62.8°	60.0°
C5	C6	C7	H8	57.2°	60.0°
C5	C6	H61C	H62C	118.9°	120.0°
C6	C5	H51C	H52C	119.6°	120.0°
C6	C5	C4	H41C	5.6°	60.0°
C6	C5	C4	H42C	114.4°	60.0°
C5	C4	C3	H41C	120.0°	120.0°
C5	C4	C3	H42C	120.0°	120.0°
C5	C4	C3	C2	174.6°	180.0°
C4	C5	C6	H61C	0.6°	60.0°
C4	C5	C6	H62C	119.3°	60.0°
C4	C5	H51C	H52C	119.6°	120.0°
C5	C4	H41C	H42C	119.7°	120.0°
C5	C4	C3	H31C	65.4°	60.0°
C5	C4	C3	H32C	54.6°	60.0°
C4	C3	C2	H31C	120.0°	120.0°
C4	C3	C2	H32C	120.0°	120.0°
C4	C3	C2	C1	140.7°	127.6°
C3	C4	C5	H51C	114.5°	60.0°
C3	C4	C5	H52C	5.5°	60.0°
C3	C4	H41C	H42C	119.7°	120.0°
C4	C3	H31C	H32C	119.5°	120.0°
C4	C3	C2	H2	39.3°	52.4°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	C9	0.5°	7.6°
C2	C3	C4	H41C	54.6°	60.0°
C2	C3	C4	H42C	65.4°	60.0°
C2	C3	H31C	H32C	119.4°	120.0°
C3	C2	C1	H1	179.5°	172.5°
C2	C1	C9	H1	180.0°	179.9°
C2	C1	C9	C10	165.9°	126.3°
C1	C2	C3	H31C	20.7°	7.6°
C1	C2	C3	H32C	99.3°	112.4°
C2	C1	C9	H91C	45.9°	113.7°
C2	C1	C9	H92C	74.1°	6.3°
C1	C9	C10	H91C	120.0°	120.0°
C1	C9	C10	H92C	120.0°	120.0°
C1	C9	C10	C11	141.4°	180.0°
C9	C1	C2	H2	179.6°	172.4°
C1	C9	H91C	H92C	120.0°	119.9°
C1	C9	C10	H101	98.6°	60.0°
C1	C9	C10	H102	21.4°	60.0°
C9	C10	C11	H101	120.0°	120.0°
C9	C10	C11	H102	120.0°	120.0°
C9	C10	C11	C12	74.6°	180.0°
C10	C9	C1	H1	14.1°	53.6°
C10	C9	H91C	H92C	119.9°	120.0°
C9	C10	H101	H102	119.3°	120.0°
C9	C10	C11	H111	45.4°	60.0°
C9	C10	C11	H112	165.4°	60.0°
C10	C11	C12	H111	120.0°	120.0°
C10	C11	C12	H112	120.0°	120.0°
C10	C11	C12	C13	170.4°	180.0°
C11	C10	C9	H91C	21.4°	60.0°
C11	C10	C9	H92C	98.6°	60.0°
C11	C10	H101	H102	119.3°	120.0°
C10	C11	H111	H112	118.7°	119.9°
C10	C11	C12	H121	50.4°	60.0°
C10	C11	C12	H122	69.6°	60.0°
C11	C12	C13	H121	120.0°	120.0°
C11	C12	C13	H122	120.0°	119.9°
C11	C12	C13	C14	176.2°	180.0°
C12	C11	C10	H101	165.4°	60.0°
C12	C11	C10	H102	45.4°	60.0°
C12	C11	H111	H112	118.7°	120.1°
C11	C12	H121	H122	119.2°	120.0°
C11	C12	C13	H131	56.2°	59.9°
C11	C12	C13	H132	63.8°	60.1°
C12	C13	C14	H131	120.0°	120.1°
C12	C13	C14	H132	120.0°	119.9°
C13	C12	C11	H111	69.6°	60.0°
C13	C12	C11	H112	50.4°	60.1°
C13	C12	H121	H122	119.2°	120.0°
C12	C13	H131	H132	118.9°	120.0°
C12	C13	C14	H141	180.0°	60.0°
C12	C13	C14	H142	60.0°	60.0°
C12	C13	C14	H143	60.0°	179.9°
C14	C13	C12	H121	63.8°	60.0°
C14	C13	C12	H122	56.2°	60.1°
C14	C13	H131	H132	118.9°	120.0°
C13	C14	H141	H142	120.0°	120.0°
C13	C14	H141	H143	120.0°	120.0°
C13	C14	H142	H143	120.0°	120.0°
H22	O22	C19	H191	60.0°	59.9°
H22	O22	C19	H192	60.0°	60.1°
H191	C19	C18	H18	70.6°	175.0°
H192	C19	C18	H18	169.4°	65.0°
H18	C18	O20	H20	61.0°	179.9°
H18	C18	C17	H171	65.1°	65.0°
H18	C18	C17	H172	174.9°	175.0°
H7	C7	C6	H61C	177.2°	179.9°
H7	C7	C6	H62C	57.2°	60.0°
H8	C7	C6	H61C	62.8°	60.1°
H8	C7	C6	H62C	177.2°	180.0°
H61C	C6	C5	H51C	120.6°	180.0°
H61C	C6	C5	H52C	119.4°	60.0°
H62C	C6	C5	H51C	0.7°	60.0°
H62C	C6	C5	H52C	120.6°	180.0°
H51C	C5	C4	H41C	125.5°	NaN°
H51C	C5	C4	H42C	5.5°	60.0°
H52C	C5	C4	H41C	114.5°	60.0°
H52C	C5	C4	H42C	125.5°	NaN°
H41C	C4	C3	H31C	174.6°	180.0°
H41C	C4	C3	H32C	65.4°	60.0°
H42C	C4	C3	H31C	54.6°	60.0°
H42C	C4	C3	H32C	174.6°	NaN°
H31C	C3	C2	H2	159.3°	172.4°
H32C	C3	C2	H2	80.7°	67.6°
H2	C2	C1	H1	0.4°	7.5°
H1	C1	C9	H91C	134.1°	66.4°
H1	C1	C9	H92C	105.9°	173.7°
H91C	C9	C10	H101	141.4°	180.0°
H91C	C9	C10	H102	98.6°	60.0°
H92C	C9	C10	H101	21.4°	60.0°
H92C	C9	C10	H102	141.5°	180.0°
H101	C10	C11	H111	74.6°	179.9°
H101	C10	C11	H112	45.4°	60.0°
H102	C10	C11	H111	165.4°	60.0°
H102	C10	C11	H112	74.6°	180.0°
H111	C11	C12	H121	170.4°	180.0°
H111	C11	C12	H122	50.4°	60.0°
H112	C11	C12	H121	69.6°	59.9°
H112	C11	C12	H122	170.4°	180.0°
H121	C12	C13	H131	176.2°	179.9°
H121	C12	C13	H132	56.2°	59.9°
H122	C12	C13	H131	63.8°	60.0°
H122	C12	C13	H132	176.2°	180.0°
H131	C13	C14	H141	60.0°	179.9°
H131	C13	C14	H142	180.0°	60.0°
H131	C13	C14	H143	60.0°	60.0°
H132	C13	C14	H141	60.0°	60.0°
H132	C13	C14	H142	60.0°	180.0°
H132	C13	C14	H143	180.0°	60.0°
H141	C14	H142	H143	120.0°	120.0°

Definition date:	2011-03-31
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI
Derived from:	2YEV