OXR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C4	doub	0.00Å	1.22Å
C4	C3	sing	0.00Å	1.49Å
C4	C5	sing	0.00Å	1.46Å
C3	C2	sing	0.00Å	1.52Å
C3	H31	sing	0.00Å	1.12Å
C3	H32	sing	0.00Å	1.12Å
C2	C1	sing	0.00Å	1.54Å
C2	H21	sing	0.00Å	1.12Å
C2	H22	sing	0.00Å	1.11Å
C1	C17	sing	0.00Å	1.53Å
C1	C16	sing	0.00Å	1.54Å
C1	C6	sing	0.00Å	1.52Å
C17	H171	sing	0.00Å	1.11Å
C17	H172	sing	0.00Å	1.11Å
C17	H173	sing	0.00Å	1.11Å
C16	H161	sing	0.00Å	1.12Å
C16	H162	sing	0.00Å	1.11Å
C16	H163	sing	0.00Å	1.11Å
C5	C18	sing	0.00Å	1.50Å
C5	C6	doub	0.00Å	1.35Å
C18	H181	sing	0.00Å	1.11Å
C18	H182	sing	0.00Å	1.11Å
C18	H183	sing	0.00Å	1.12Å
C6	C7	sing	0.00Å	1.50Å
C7	C8	doub	0.00Å	1.33Å
C7	H7	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.49Å
C8	H8	sing	0.00Å	1.10Å
C9	C19	sing	0.00Å	1.51Å
C9	C10	doub	0.00Å	1.34Å
C19	H191	sing	0.00Å	1.11Å
C19	H192	sing	0.00Å	1.12Å
C19	H193	sing	0.00Å	1.11Å
C10	C11	sing	0.00Å	1.44Å
C10	H10	sing	0.00Å	1.10Å
C11	C12	doub	0.00Å	1.33Å
C11	H11	sing	0.00Å	1.10Å
C12	C13	sing	0.00Å	1.47Å
C12	H12	sing	0.00Å	1.10Å
C13	C20	sing	0.00Å	1.51Å
C13	C14	doub	0.00Å	1.34Å
C20	H201	sing	0.00Å	1.12Å
C20	H202	sing	0.00Å	1.12Å
C20	H203	sing	0.00Å	1.11Å
C14	C15	sing	0.00Å	1.53Å
C14	H14	sing	0.00Å	1.10Å
C15	O1	sing	0.00Å	1.43Å
C15	H151	sing	0.00Å	1.12Å
C15	H152	sing	0.00Å	1.11Å
O1	HO1	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C4	C3	116.0°	90.0°
O2	C4	C5	120.9°	90.0°
C3	C4	C5	123.1°	90.0°
C4	C3	C2	115.5°	90.0°
C4	C3	H31	110.0°	90.0°
C4	C3	H32	110.0°	90.0°
C4	C5	C18	114.6°	90.0°
C4	C5	C6	122.1°	90.0°
C2	C3	H31	110.0°	90.0°
C2	C3	H32	110.0°	90.0°
C3	C2	C1	120.2°	90.0°
C3	C2	H21	108.3°	90.0°
C3	C2	H22	108.4°	90.0°
H31	C3	H32	100.2°	90.0°
C1	C2	H21	108.4°	90.0°
C1	C2	H22	108.4°	90.0°
C2	C1	C17	107.7°	90.0°
C2	C1	C16	108.6°	90.0°
C2	C1	C6	117.3°	90.0°
H21	C2	H22	101.6°	90.0°
C17	C1	C16	111.6°	90.0°
C17	C1	C6	106.8°	90.0°
C1	C17	H171	112.9°	90.0°
C1	C17	H172	107.7°	90.0°
C1	C17	H173	112.9°	90.0°
C16	C1	C6	104.9°	90.0°
C1	C16	H161	112.5°	90.0°
C1	C16	H162	108.6°	90.0°
C1	C16	H163	112.5°	90.0°
C1	C6	C5	121.9°	90.0°
C1	C6	C7	111.5°	90.0°
H171	C17	H172	112.9°	90.0°
H171	C17	H173	97.5°	90.0°
H172	C17	H173	112.9°	90.0°
H161	C16	H162	112.5°	90.0°
H161	C16	H163	97.9°	90.0°
H162	C16	H163	112.5°	90.0°
C18	C5	C6	123.3°	90.0°
C5	C18	H181	110.4°	90.0°
C5	C18	H182	114.7°	90.0°
C5	C18	H183	110.3°	90.0°
C5	C6	C7	126.6°	90.0°
H181	C18	H182	110.3°	90.0°
H181	C18	H183	99.9°	90.0°
H182	C18	H183	110.3°	90.0°
C6	C7	C8	128.8°	90.0°
C6	C7	H7	122.7°	90.0°
C8	C7	H7	108.5°	90.0°
C7	C8	C9	122.4°	90.0°
C7	C8	H8	112.9°	90.0°
C9	C8	H8	124.6°	90.0°
C8	C9	C19	125.0°	90.0°
C8	C9	C10	114.2°	90.0°
C19	C9	C10	120.7°	90.0°
C9	C19	H191	106.7°	90.0°
C9	C19	H192	125.0°	90.0°
C9	C19	H193	106.8°	90.0°
C9	C10	C11	124.2°	90.0°
C9	C10	H10	113.8°	90.0°
H191	C19	H192	106.7°	90.0°
H191	C19	H193	102.9°	90.0°
H192	C19	H193	106.7°	90.0°
C11	C10	H10	122.0°	90.0°
C10	C11	C12	115.6°	90.0°
C10	C11	H11	125.9°	90.0°
C12	C11	H11	118.5°	90.0°
C11	C12	C13	122.0°	90.0°
C11	C12	H12	114.0°	90.0°
C13	C12	H12	124.0°	90.0°
C12	C13	C20	121.0°	90.0°
C12	C13	C14	118.0°	90.0°
C20	C13	C14	120.9°	90.0°
C13	C20	H201	108.1°	90.0°
C13	C20	H202	121.0°	90.0°
C13	C20	H203	108.1°	90.0°
C13	C14	C15	122.8°	90.0°
C13	C14	H14	111.7°	90.0°
H201	C20	H202	108.1°	90.0°
H201	C20	H203	101.8°	90.0°
H202	C20	H203	108.1°	90.0°
C15	C14	H14	125.5°	90.0°
C14	C15	O1	113.4°	90.0°
C14	C15	H151	110.8°	90.0°
C14	C15	H152	110.7°	90.0°
O1	C15	H151	110.8°	90.0°
O1	C15	H152	110.8°	90.0°
C15	O1	HO1	113.4°	90.0°
H151	C15	H152	99.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C4	C3	C5	179.4°	90.0°
O2	C4	C3	C2	179.9°	90.0°
O2	C4	C3	H31	54.9°	90.0°
O2	C4	C3	H32	54.6°	90.0°
O2	C4	C5	C18	0.6°	90.0°
O2	C4	C5	C6	179.4°	90.0°
C4	C3	C2	H31	125.3°	90.0°
C4	C3	C2	H32	125.3°	90.0°
C4	C3	H31	H32	115.8°	90.0°
C4	C3	C2	C1	0.5°	90.0°
C4	C3	C2	H21	124.7°	90.0°
C4	C3	C2	H22	125.8°	90.0°
C3	C4	C5	C18	179.9°	90.0°
C3	C4	C5	C6	0.1°	90.0°
C5	C4	C3	C2	0.5°	90.0°
C5	C4	C3	H31	125.8°	90.0°
C5	C4	C3	H32	124.7°	90.0°
C4	C5	C6	C1	0.4°	90.0°
C4	C5	C18	C6	180.0°	90.0°
C4	C5	C18	H181	54.7°	90.0°
C4	C5	C18	H182	180.0°	90.0°
C4	C5	C18	H183	54.7°	90.0°
C4	C5	C6	C7	179.7°	90.0°
C2	C3	H31	H32	115.8°	90.0°
C3	C2	C1	H21	125.2°	90.0°
C3	C2	C1	H22	125.3°	90.0°
C3	C2	H21	H22	114.0°	90.0°
C3	C2	C1	C17	120.5°	90.0°
C3	C2	C1	C16	118.5°	90.0°
C3	C2	C1	C6	0.1°	90.0°
H31	C3	C2	C1	125.8°	90.0°
H31	C3	C2	H21	0.5°	90.0°
H31	C3	C2	H22	108.9°	90.0°
H32	C3	C2	C1	124.7°	90.0°
H32	C3	C2	H21	110.0°	90.0°
H32	C3	C2	H22	0.5°	90.0°
C1	C2	H21	H22	114.1°	90.0°
C2	C1	C17	C16	119.1°	90.0°
C2	C1	C17	C6	126.8°	90.0°
C2	C1	C16	C6	126.2°	90.0°
C2	C1	C17	H171	54.7°	90.0°
C2	C1	C17	H172	180.0°	90.0°
C2	C1	C17	H173	54.7°	90.0°
C2	C1	C16	H161	54.7°	90.0°
C2	C1	C16	H162	180.0°	90.0°
C2	C1	C16	H163	54.7°	90.0°
C2	C1	C6	C5	0.4°	90.0°
C2	C1	C6	C7	179.7°	90.0°
H21	C2	C1	C17	4.7°	90.0°
H21	C2	C1	C16	116.2°	90.0°
H21	C2	C1	C6	125.1°	90.0°
H22	C2	C1	C17	114.2°	90.0°
H22	C2	C1	C16	6.7°	90.0°
H22	C2	C1	C6	125.4°	90.0°
C17	C1	C16	C6	115.3°	90.0°
C1	C17	H171	H172	122.4°	90.0°
C1	C17	H171	H173	118.8°	90.0°
C1	C17	H172	H173	125.3°	90.0°
C17	C1	C16	H161	63.8°	90.0°
C17	C1	C16	H162	61.5°	90.0°
C17	C1	C16	H163	173.3°	90.0°
C17	C1	C6	C5	120.5°	90.0°
C17	C1	C6	C7	58.9°	90.0°
C16	C1	C17	H171	173.8°	90.0°
C16	C1	C17	H172	60.9°	90.0°
C16	C1	C17	H173	64.4°	90.0°
C1	C16	H161	H162	123.1°	90.0°
C1	C16	H161	H163	118.4°	90.0°
C1	C16	H162	H163	125.3°	90.0°
C16	C1	C6	C5	121.0°	90.0°
C16	C1	C6	C7	59.6°	90.0°
C6	C1	C17	H171	72.1°	90.0°
C6	C1	C17	H172	53.2°	90.0°
C6	C1	C17	H173	178.5°	90.0°
C6	C1	C16	H161	179.1°	90.0°
C6	C1	C16	H162	53.8°	90.0°
C6	C1	C16	H163	71.5°	90.0°
C1	C6	C5	C18	179.6°	90.0°
C1	C6	C5	C7	179.3°	90.0°
C1	C6	C7	C8	171.0°	90.0°
C1	C6	C7	H7	9.0°	90.0°
H171	C17	H172	H173	109.4°	90.0°
H161	C16	H162	H163	109.5°	90.0°
C5	C18	H181	H182	127.7°	90.0°
C5	C18	H181	H183	116.2°	90.0°
C5	C18	H182	H183	125.2°	90.0°
C18	C5	C6	C7	0.3°	90.0°
C6	C5	C18	H181	125.3°	90.0°
C6	C5	C18	H182	0.0°	90.0°
C6	C5	C18	H183	125.2°	90.0°
C5	C6	C7	C8	9.6°	90.0°
C5	C6	C7	H7	170.4°	90.0°
H181	C18	H182	H183	109.5°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	179.6°	90.0°
C6	C7	C8	H8	0.4°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	C19	1.3°	90.0°
C7	C8	C9	C10	179.0°	90.0°
H7	C7	C8	C9	0.4°	90.0°
H7	C7	C8	H8	179.6°	90.0°
C8	C9	C19	C10	177.6°	90.0°
C8	C9	C19	H191	54.8°	90.0°
C8	C9	C19	H192	180.0°	90.0°
C8	C9	C19	H193	54.7°	90.0°
C8	C9	C10	C11	177.1°	90.0°
C8	C9	C10	H10	2.8°	90.0°
H8	C8	C9	C19	178.8°	90.0°
H8	C8	C9	C10	1.0°	90.0°
C9	C19	H191	H192	135.7°	90.0°
C9	C19	H191	H193	112.2°	90.0°
C9	C19	H192	H193	125.3°	90.0°
C19	C9	C10	C11	0.7°	90.0°
C19	C9	C10	H10	179.4°	90.0°
C10	C9	C19	H191	122.8°	90.0°
C10	C9	C19	H192	2.4°	90.0°
C10	C9	C19	H193	127.7°	90.0°
C9	C10	C11	H10	180.0°	90.0°
C9	C10	C11	C12	172.8°	90.0°
C9	C10	C11	H11	7.1°	90.0°
H191	C19	H192	H193	109.5°	90.0°
C10	C11	C12	H11	180.0°	90.0°
C10	C11	C12	C13	179.5°	90.0°
C10	C11	C12	H12	0.4°	90.0°
H10	C10	C11	C12	7.1°	90.0°
H10	C10	C11	H11	172.9°	90.0°
C11	C12	C13	H12	180.0°	90.0°
C11	C12	C13	C20	12.5°	90.0°
C11	C12	C13	C14	168.5°	90.0°
H11	C11	C12	C13	0.4°	90.0°
H11	C11	C12	H12	179.6°	90.0°
C12	C13	C20	C14	179.0°	90.0°
C12	C13	C20	H201	54.7°	90.0°
C12	C13	C20	H202	180.0°	90.0°
C12	C13	C20	H203	54.7°	90.0°
C12	C13	C14	C15	179.1°	90.0°
C12	C13	C14	H14	0.9°	90.0°
H12	C12	C13	C20	167.5°	90.0°
H12	C12	C13	C14	11.5°	90.0°
C13	C20	H201	H202	132.6°	90.0°
C13	C20	H201	H203	113.7°	90.0°
C13	C20	H202	H203	125.3°	90.0°
C20	C13	C14	C15	1.9°	90.0°
C20	C13	C14	H14	178.2°	90.0°
C14	C13	C20	H201	124.3°	90.0°
C14	C13	C20	H202	1.0°	90.0°
C14	C13	C20	H203	126.3°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C13	C14	C15	O1	74.8°	90.0°
C13	C14	C15	H151	159.9°	90.0°
C13	C14	C15	H152	50.5°	90.0°
H201	C20	H202	H203	109.5°	90.0°
C14	C15	O1	H151	125.3°	90.0°
C14	C15	O1	H152	125.2°	90.0°
C14	C15	H151	H152	116.6°	90.0°
C14	C15	O1	HO1	180.0°	90.0°
H14	C14	C15	O1	105.2°	90.0°
H14	C14	C15	H151	20.1°	90.0°
H14	C14	C15	H152	129.6°	90.0°
O1	C15	H151	H152	116.6°	90.0°
H151	C15	O1	HO1	54.7°	90.0°
H152	C15	O1	HO1	54.8°	90.0°

Definition date:	2004-08-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1X8L