Obsolete: OTE

OTE was replaced with C8E on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.11Å
C1	H13	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.54Å
C2	H21A	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.52Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.52Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C6	C7	sing	1.53Å	1.54Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.12Å
C7	C8	sing	1.53Å	1.54Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	O9	sing	1.43Å	1.45Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
O9	C10	sing	1.43Å	1.45Å
C10	C11	sing	1.53Å	1.54Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.11Å
C11	O12	sing	1.43Å	1.44Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.12Å
O12	C13	sing	1.43Å	1.44Å
C13	C14	sing	1.53Å	1.55Å
C13	H131	sing	1.09Å	1.11Å
C13	H132	sing	1.09Å	1.12Å
C14	O15	sing	1.43Å	1.45Å
C14	H141	sing	1.09Å	1.11Å
C14	H142	sing	1.09Å	1.11Å
O15	C16	sing	1.43Å	1.44Å
C16	C17	sing	1.53Å	1.52Å
C16	H161	sing	1.09Å	1.11Å
C16	H162	sing	1.09Å	1.11Å
C17	O18	sing	1.43Å	1.43Å
C17	H171	sing	1.09Å	1.12Å
C17	H172	sing	1.09Å	1.12Å
O18	C19	sing	1.43Å	1.43Å
C19	C20	sing	1.53Å	1.53Å
C19	H191	sing	1.09Å	1.12Å
C19	H192	sing	1.09Å	1.12Å
C20	O21	sing	1.43Å	1.43Å
C20	H201	sing	1.09Å	1.11Å
C20	H202	sing	1.09Å	1.11Å
O21	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H11	116.7°	109.5°
C2	C1	H12	109.5°	109.5°
C2	C1	H13	109.5°	109.5°
C1	C2	C3	116.7°	109.5°
C1	C2	H21A	109.6°	109.5°
C1	C2	H22	109.6°	109.5°
H11	C1	H12	109.6°	109.5°
H11	C1	H13	109.6°	109.5°
H12	C1	H13	100.6°	109.5°
C3	C2	H21A	109.6°	109.5°
C3	C2	H22	109.6°	109.4°
C2	C3	C4	117.5°	109.5°
C2	C3	H31	109.3°	109.5°
C2	C3	H32	109.3°	109.4°
H21A	C2	H22	100.5°	109.5°
C4	C3	H31	109.3°	109.5°
C4	C3	H32	109.3°	109.4°
C3	C4	C5	106.4°	109.5°
C3	C4	H41	113.3°	109.5°
C3	C4	H42	113.3°	109.5°
H31	C3	H32	100.8°	109.5°
C5	C4	H41	113.4°	109.5°
C5	C4	H42	113.3°	109.5°
C4	C5	C6	113.9°	109.5°
C4	C5	H51	110.6°	109.5°
C4	C5	H52	110.6°	109.5°
H41	C4	H42	97.1°	109.5°
C6	C5	H51	110.6°	109.5°
C6	C5	H52	110.6°	109.4°
C5	C6	C7	111.0°	109.5°
C5	C6	H61	111.6°	109.5°
C5	C6	H62	111.6°	109.4°
H51	C5	H52	99.7°	109.4°
C7	C6	H61	111.7°	109.5°
C7	C6	H62	111.7°	109.4°
C6	C7	C8	115.8°	109.5°
C6	C7	H71	109.9°	109.5°
C6	C7	H72	109.9°	109.4°
H61	C6	H62	98.7°	109.5°
C8	C7	H71	109.9°	109.5°
C8	C7	H72	109.9°	109.4°
C7	C8	O9	120.1°	109.5°
C7	C8	H81	108.4°	109.5°
C7	C8	H82	108.4°	109.5°
H71	C7	H72	100.4°	109.5°
O9	C8	H81	108.4°	109.5°
O9	C8	H82	108.4°	109.5°
C8	O9	C10	118.7°	106.8°
H81	C8	H82	101.5°	109.4°
O9	C10	C11	123.9°	109.4°
O9	C10	H101	107.1°	109.5°
O9	C10	H102	107.1°	109.5°
C11	C10	H101	107.1°	109.5°
C11	C10	H102	107.1°	109.5°
C10	C11	O12	115.8°	109.5°
C10	C11	H111	109.9°	109.5°
C10	C11	H112	109.9°	109.5°
H101	C10	H102	102.6°	109.4°
O12	C11	H111	109.9°	109.4°
O12	C11	H112	109.9°	109.5°
C11	O12	C13	116.3°	106.8°
H111	C11	H112	100.3°	109.4°
O12	C13	C14	122.9°	109.5°
O12	C13	H131	107.5°	109.5°
O12	C13	H132	107.4°	109.5°
C14	C13	H131	107.5°	109.5°
C14	C13	H132	107.4°	109.5°
C13	C14	O15	123.8°	109.5°
C13	C14	H141	107.2°	109.5°
C13	C14	H142	107.1°	109.5°
H131	C13	H132	102.3°	109.5°
O15	C14	H141	107.1°	109.5°
O15	C14	H142	107.1°	109.5°
C14	O15	C16	112.5°	106.8°
H141	C14	H142	102.6°	109.5°
O15	C16	C17	119.9°	109.4°
O15	C16	H161	108.5°	109.5°
O15	C16	H162	108.5°	109.5°
C17	C16	H161	108.5°	109.4°
C17	C16	H162	108.5°	109.4°
C16	C17	O18	119.4°	109.4°
C16	C17	H171	108.6°	109.4°
C16	C17	H172	108.7°	109.5°
H161	C16	H162	101.5°	109.6°
O18	C17	H171	108.6°	109.5°
O18	C17	H172	108.6°	109.5°
C17	O18	C19	109.6°	106.8°
H171	C17	H172	101.4°	109.5°
O18	C19	C20	118.5°	109.5°
O18	C19	H191	108.9°	109.6°
O18	C19	H192	109.0°	109.4°
C20	C19	H191	109.0°	109.4°
C20	C19	H192	109.0°	109.5°
C19	C20	O21	114.2°	109.5°
C19	C20	H201	110.5°	109.5°
C19	C20	H202	110.5°	109.5°
H191	C19	H192	101.1°	109.4°
O21	C20	H201	110.5°	109.4°
O21	C20	H202	110.5°	109.4°
C20	O21	H21	114.2°	106.8°
H201	C20	H202	99.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H11	H12	125.2°	120.0°
C2	C1	H11	H13	125.2°	120.0°
C2	C1	H12	H13	115.3°	120.0°
C1	C2	C3	H21A	125.3°	120.0°
C1	C2	C3	H22	125.3°	120.0°
C1	C2	H21A	H22	115.3°	120.0°
C1	C2	C3	C4	76.1°	180.0°
C1	C2	C3	H31	158.6°	60.0°
C1	C2	C3	H32	49.2°	60.0°
H11	C1	H12	H13	115.4°	120.0°
H11	C1	C2	C3	180.0°	60.0°
H11	C1	C2	H21A	54.7°	180.0°
H11	C1	C2	H22	54.7°	60.0°
H12	C1	C2	C3	54.8°	180.0°
H12	C1	C2	H21A	70.5°	60.0°
H12	C1	C2	H22	179.9°	60.0°
H13	C1	C2	C3	54.7°	60.0°
H13	C1	C2	H21A	179.9°	60.0°
H13	C1	C2	H22	70.5°	179.9°
C3	C2	H21A	H22	115.3°	119.9°
C2	C3	C4	H31	125.2°	120.0°
C2	C3	C4	H32	125.3°	120.0°
C2	C3	H31	H32	115.0°	120.0°
C2	C3	C4	C5	175.0°	180.0°
C2	C3	C4	H41	59.7°	60.0°
C2	C3	C4	H42	49.7°	60.0°
H21A	C2	C3	C4	49.2°	60.0°
H21A	C2	C3	H31	76.1°	180.0°
H21A	C2	C3	H32	174.5°	60.0°
H22	C2	C3	C4	158.6°	60.0°
H22	C2	C3	H31	33.3°	60.0°
H22	C2	C3	H32	76.1°	180.0°
C4	C3	H31	H32	115.1°	120.0°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.2°	120.0°
C3	C4	H41	H42	119.3°	120.0°
C3	C4	C5	C6	170.5°	179.9°
C3	C4	C5	H51	64.3°	60.0°
C3	C4	C5	H52	45.1°	60.0°
H31	C3	C4	C5	49.7°	60.0°
H31	C3	C4	H41	175.0°	180.0°
H31	C3	C4	H42	75.5°	60.0°
H32	C3	C4	C5	59.7°	60.0°
H32	C3	C4	H41	65.6°	60.0°
H32	C3	C4	H42	175.0°	180.0°
C5	C4	H41	H42	119.3°	120.0°
C4	C5	C6	H51	125.3°	120.0°
C4	C5	C6	H52	125.3°	120.0°
C4	C5	H51	H52	116.4°	120.0°
C4	C5	C6	C7	157.2°	180.0°
C4	C5	C6	H61	31.9°	60.0°
C4	C5	C6	H62	77.6°	60.0°
H41	C4	C5	C6	45.2°	59.9°
H41	C4	C5	H51	170.5°	180.0°
H41	C4	C5	H52	80.1°	60.0°
H42	C4	C5	C6	64.3°	60.0°
H42	C4	C5	H51	61.0°	60.1°
H42	C4	C5	H52	170.4°	180.0°
C6	C5	H51	H52	116.5°	120.0°
C5	C6	C7	H61	125.3°	120.1°
C5	C6	C7	H62	125.2°	119.9°
C5	C6	H61	H62	117.5°	120.0°
C5	C6	C7	C8	87.0°	179.9°
C5	C6	C7	H71	38.2°	59.9°
C5	C6	C7	H72	147.8°	60.1°
H51	C5	C6	C7	77.6°	59.9°
H51	C5	C6	H61	157.1°	180.0°
H51	C5	C6	H62	47.7°	60.0°
H52	C5	C6	C7	31.9°	60.0°
H52	C5	C6	H61	93.4°	60.0°
H52	C5	C6	H62	157.1°	180.0°
C7	C6	H61	H62	117.6°	120.0°
C6	C7	C8	H71	125.2°	120.0°
C6	C7	C8	H72	125.3°	120.0°
C6	C7	H71	H72	115.7°	120.0°
C6	C7	C8	O9	158.1°	180.0°
C6	C7	C8	H81	76.6°	60.0°
C6	C7	C8	H82	32.8°	60.0°
H61	C6	C7	C8	147.7°	60.0°
H61	C6	C7	H71	87.0°	180.0°
H61	C6	C7	H72	22.5°	60.0°
H62	C6	C7	C8	38.2°	60.0°
H62	C6	C7	H71	163.5°	60.0°
H62	C6	C7	H72	87.0°	180.0°
C8	C7	H71	H72	115.7°	120.0°
C7	C8	O9	H81	125.3°	120.0°
C7	C8	O9	H82	125.3°	120.0°
C7	C8	H81	H82	114.1°	120.0°
C7	C8	O9	C10	99.2°	180.0°
H71	C7	C8	O9	32.8°	60.0°
H71	C7	C8	H81	158.1°	180.0°
H71	C7	C8	H82	92.4°	60.0°
H72	C7	C8	O9	76.7°	60.0°
H72	C7	C8	H81	48.6°	60.0°
H72	C7	C8	H82	158.1°	180.0°
O9	C8	H81	H82	114.0°	120.0°
C8	O9	C10	C11	102.6°	180.0°
C8	O9	C10	H101	132.1°	60.0°
C8	O9	C10	H102	22.6°	60.0°
H81	C8	O9	C10	26.1°	60.0°
H82	C8	O9	C10	135.5°	60.0°
O9	C10	C11	H101	125.2°	120.0°
O9	C10	C11	H102	125.2°	120.0°
O9	C10	H101	H102	112.6°	120.0°
O9	C10	C11	O12	163.4°	60.0°
O9	C10	C11	H111	71.4°	180.0°
O9	C10	C11	H112	38.1°	60.0°
C11	C10	H101	H102	112.6°	120.0°
C10	C11	O12	H111	125.3°	120.0°
C10	C11	O12	H112	125.3°	120.1°
C10	C11	H111	H112	115.7°	120.1°
C10	C11	O12	C13	105.0°	180.0°
H101	C10	C11	O12	38.1°	60.0°
H101	C10	C11	H111	163.4°	60.0°
H101	C10	C11	H112	87.2°	180.0°
H102	C10	C11	O12	71.4°	179.9°
H102	C10	C11	H111	53.9°	60.0°
H102	C10	C11	H112	163.3°	60.0°
O12	C11	H111	H112	115.7°	119.9°
C11	O12	C13	C14	131.1°	179.9°
C11	O12	C13	H131	103.6°	60.0°
C11	O12	C13	H132	5.9°	60.0°
H111	C11	O12	C13	20.2°	60.0°
H112	C11	O12	C13	129.7°	60.0°
O12	C13	C14	H131	125.3°	120.1°
O12	C13	C14	H132	125.2°	120.0°
O12	C13	H131	H132	113.0°	120.0°
O12	C13	C14	O15	77.1°	60.0°
O12	C13	C14	H141	48.2°	180.0°
O12	C13	C14	H142	157.7°	60.0°
C14	C13	H131	H132	113.0°	120.0°
C13	C14	O15	H141	125.3°	120.0°
C13	C14	O15	H142	125.2°	120.0°
C13	C14	H141	H142	112.6°	120.0°
C13	C14	O15	C16	123.2°	180.0°
H131	C13	C14	O15	157.6°	60.0°
H131	C13	C14	H141	77.1°	60.0°
H131	C13	C14	H142	32.4°	180.0°
H132	C13	C14	O15	48.2°	180.0°
H132	C13	C14	H141	173.4°	60.0°
H132	C13	C14	H142	77.1°	60.0°
O15	C14	H141	H142	112.6°	120.0°
C14	O15	C16	C17	164.2°	180.0°
C14	O15	C16	H161	38.9°	60.1°
C14	O15	C16	H162	70.6°	60.1°
H141	C14	O15	C16	111.6°	60.0°
H142	C14	O15	C16	2.1°	60.0°
O15	C16	C17	H161	125.3°	120.0°
O15	C16	C17	H162	125.2°	119.9°
O15	C16	H161	H162	114.2°	120.1°
O15	C16	C17	O18	179.7°	60.0°
O15	C16	C17	H171	55.1°	180.0°
O15	C16	C17	H172	54.4°	60.0°
C17	C16	H161	H162	114.1°	120.0°
C16	C17	O18	H171	125.2°	120.0°
C16	C17	O18	H172	125.3°	120.0°
C16	C17	H171	H172	114.4°	120.0°
C16	C17	O18	C19	124.5°	179.9°
H161	C16	C17	O18	54.4°	60.0°
H161	C16	C17	H171	179.7°	60.0°
H161	C16	C17	H172	70.8°	180.0°
H162	C16	C17	O18	55.1°	179.9°
H162	C16	C17	H171	70.2°	60.0°
H162	C16	C17	H172	179.7°	60.0°
O18	C17	H171	H172	114.3°	120.0°
C17	O18	C19	C20	105.0°	180.0°
C17	O18	C19	H191	129.7°	60.0°
C17	O18	C19	H192	20.2°	60.0°
H171	C17	O18	C19	110.2°	60.0°
H172	C17	O18	C19	0.8°	60.1°
O18	C19	C20	H191	125.3°	120.1°
O18	C19	C20	H192	125.3°	120.0°
O18	C19	H191	H192	114.7°	120.0°
O18	C19	C20	O21	173.4°	60.1°
O18	C19	C20	H201	48.2°	180.0°
O18	C19	C20	H202	61.4°	59.9°
C20	C19	H191	H192	114.7°	119.9°
C19	C20	O21	H201	125.2°	120.0°
C19	C20	O21	H202	125.2°	120.0°
C19	C20	H201	H202	116.4°	120.0°
C19	C20	O21	H21	180.0°	180.0°
H191	C19	C20	O21	61.4°	60.1°
H191	C19	C20	H201	173.4°	59.9°
H191	C19	C20	H202	63.9°	180.0°
H192	C19	C20	O21	48.1°	180.0°
H192	C19	C20	H201	77.1°	60.0°
H192	C19	C20	H202	173.4°	60.0°
O21	C20	H201	H202	116.4°	119.9°
H201	C20	O21	H21	54.8°	60.0°
H202	C20	O21	H21	54.7°	60.0°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	C8E
Derived from:	2POR