9RA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C51	O53	doub	1.21Å	1.25Å
C11	C51	sing	1.48Å	1.50Å
C51	O52	sing	1.35Å	1.24Å
O52	HO52	sing	0.97Å	0.95Å
C12	C11	doub	1.40Å	1.40Å	Aromatic
C10	C11	sing	1.40Å	1.39Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C13	C12	sing	1.38Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C14	C13	doub	1.40Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C47	C14	sing	1.48Å	1.50Å
C14	C9	sing	1.40Å	1.39Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C48	C47	doub	1.34Å	1.32Å
C4	C47	sing	1.48Å	1.51Å
C48	H48	sing	1.08Å	1.08Å
C48	H48A	sing	1.08Å	1.08Å
C5	C4	doub	1.39Å	1.40Å	Aromatic
C4	C3	sing	1.39Å	1.48Å	Aromatic
C2	C3	doub	1.38Å	1.39Å	Aromatic
C3	C43	sing	1.51Å	1.51Å
C43	H43	sing	1.09Å	1.10Å
C43	H43A	sing	1.09Å	1.10Å
C43	H43B	sing	1.09Å	1.10Å
C1	C2	sing	1.39Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C6	C5	sing	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C19	C6	sing	1.51Å	1.51Å
C6	C1	doub	1.38Å	1.49Å	Aromatic
C31	C19	sing	1.53Å	1.53Å
C20	C19	sing	1.53Å	1.51Å
C19	C27	sing	1.53Å	1.53Å
C27	H27	sing	1.09Å	1.10Å
C27	H27A	sing	1.09Å	1.10Å
C27	H27B	sing	1.09Å	1.10Å
C31	H31	sing	1.09Å	1.10Å
C31	H31A	sing	1.09Å	1.10Å
C31	H31B	sing	1.09Å	1.10Å
C20	C21	sing	1.53Å	1.51Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C22	C21	sing	1.53Å	1.52Å
C21	H21	sing	1.09Å	1.10Å
C21	H21A	sing	1.09Å	1.10Å
C39	C22	sing	1.53Å	1.52Å
C22	C1	sing	1.51Å	1.50Å
C22	C35	sing	1.53Å	1.53Å
C39	H39	sing	1.09Å	1.10Å
C39	H39A	sing	1.09Å	1.10Å
C39	H39B	sing	1.09Å	1.10Å
C35	H35	sing	1.09Å	1.10Å
C35	H35A	sing	1.09Å	1.10Å
C35	H35B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O53	C51	C11	120.0°	120.0°
O53	C51	O52	121.1°	120.0°
C11	C51	O52	118.8°	120.0°
C51	C11	C12	121.0°	120.0°
C51	C11	C10	119.1°	120.0°
C51	O52	HO52	109.5°	117.0°
C12	C11	C10	119.9°	120.0°
C11	C12	C13	120.5°	120.0°
C11	C12	H12	119.7°	120.0°
C11	C10	C9	119.6°	120.0°
C11	C10	H10	120.2°	120.1°
C9	C10	H10	120.2°	120.0°
C10	C9	C14	120.8°	120.0°
C10	C9	H9	119.6°	120.0°
C13	C12	H12	119.8°	120.0°
C12	C13	C14	119.3°	120.0°
C12	C13	H13	120.4°	120.0°
C14	C13	H13	120.3°	120.0°
C13	C14	C47	119.7°	120.0°
C13	C14	C9	120.0°	120.1°
C47	C14	C9	120.3°	119.9°
C14	C47	C48	118.3°	120.0°
C14	C47	C4	120.9°	120.0°
C14	C9	H9	119.6°	120.0°
C48	C47	C4	120.8°	120.0°
C47	C48	H48	108.3°	120.0°
C47	C48	H48A	125.9°	120.0°
C47	C4	C5	120.8°	120.2°
C47	C4	C3	119.6°	120.2°
H48	C48	H48A	125.8°	120.0°
C5	C4	C3	119.4°	119.5°
C4	C5	C6	121.4°	120.4°
C4	C5	H5	119.3°	119.8°
C4	C3	C2	119.8°	119.6°
C4	C3	C43	119.4°	120.2°
C2	C3	C43	120.9°	120.2°
C3	C2	C1	120.7°	120.7°
C3	C2	H2	119.6°	119.7°
C3	C43	H43	109.5°	109.4°
C3	C43	H43A	109.5°	109.4°
C3	C43	H43B	109.5°	109.5°
H43	C43	H43A	109.4°	109.5°
H43	C43	H43B	109.4°	109.5°
H43A	C43	H43B	109.5°	109.5°
C1	C2	H2	119.6°	119.6°
C2	C1	C6	120.1°	119.9°
C2	C1	C22	119.4°	117.6°
C6	C5	H5	119.3°	119.8°
C5	C6	C19	120.4°	117.6°
C5	C6	C1	118.6°	119.8°
C19	C6	C1	121.0°	122.6°
C6	C19	C31	110.6°	109.3°
C6	C19	C20	111.0°	110.6°
C6	C19	C27	108.8°	109.3°
C6	C1	C22	120.5°	122.5°
C31	C19	C20	108.6°	109.2°
C31	C19	C27	110.0°	109.3°
C19	C31	H31	109.5°	109.5°
C19	C31	H31A	109.5°	109.5°
C19	C31	H31B	109.5°	109.5°
C20	C19	C27	107.6°	109.2°
C19	C20	C21	118.3°	108.4°
C19	C20	H20	106.7°	109.7°
C19	C20	H20A	104.6°	109.7°
C19	C27	H27	109.5°	109.5°
C19	C27	H27A	109.5°	109.5°
C19	C27	H27B	109.5°	109.4°
H27	C27	H27A	109.4°	109.5°
H27	C27	H27B	109.5°	109.4°
H27A	C27	H27B	109.5°	109.5°
H31	C31	H31A	109.5°	109.4°
H31	C31	H31B	109.5°	109.4°
H31A	C31	H31B	109.5°	109.5°
C21	C20	H20	106.6°	109.6°
C21	C20	H20A	104.6°	109.7°
C20	C21	C22	106.1°	108.4°
C20	C21	H21	110.6°	109.7°
C20	C21	H21A	111.4°	109.7°
H20	C20	H20A	116.7°	109.7°
C22	C21	H21	110.6°	109.7°
C22	C21	H21A	111.4°	109.7°
C21	C22	C39	107.7°	109.3°
C21	C22	C1	110.0°	110.6°
C21	C22	C35	111.5°	109.2°
H21	C21	H21A	106.8°	109.6°
C39	C22	C1	107.5°	109.3°
C39	C22	C35	110.9°	109.2°
C22	C39	H39	109.5°	109.5°
C22	C39	H39A	109.4°	109.5°
C22	C39	H39B	109.4°	109.5°
C1	C22	C35	109.3°	109.2°
C22	C35	H35	109.5°	109.5°
C22	C35	H35A	109.5°	109.4°
C22	C35	H35B	109.5°	109.5°
H39	C39	H39A	109.4°	109.4°
H39	C39	H39B	109.5°	109.5°
H39A	C39	H39B	109.5°	109.5°
H35	C35	H35A	109.4°	109.5°
H35	C35	H35B	109.5°	109.5°
H35A	C35	H35B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O53	C51	C11	O52	178.8°	179.7°
O53	C51	O52	HO52	0.0°	0.0°
O53	C51	C11	C12	19.2°	179.7°
O53	C51	C11	C10	160.3°	0.0°
C11	C51	O52	HO52	178.8°	179.7°
C51	C11	C12	C10	179.4°	179.7°
C51	C11	C10	C9	179.5°	180.0°
C51	C11	C10	H10	0.5°	0.0°
C51	C11	C12	C13	179.4°	180.0°
C51	C11	C12	H12	0.6°	0.0°
O52	C51	C11	C12	162.0°	0.6°
O52	C51	C11	C10	18.6°	179.7°
C12	C11	C10	C9	0.1°	0.3°
C12	C11	C10	H10	180.0°	179.8°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.4°	0.0°
C11	C12	C13	H13	179.6°	180.0°
C11	C10	C9	H10	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.3°
C10	C11	C12	H12	179.9°	179.7°
C11	C10	C9	C14	0.1°	0.0°
C11	C10	C9	H9	179.9°	179.7°
C10	C9	C14	C13	0.4°	0.2°
C10	C9	C14	C47	179.4°	180.0°
C10	C9	C14	H9	180.0°	179.8°
H10	C10	C9	C14	179.9°	180.0°
H10	C10	C9	H9	0.1°	0.2°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C47	179.5°	180.0°
C12	C13	C14	C9	0.6°	0.3°
H12	C12	C13	C14	179.6°	180.0°
H12	C12	C13	H13	0.4°	0.1°
C13	C14	C47	C9	179.0°	179.7°
C13	C14	C9	H9	179.6°	180.0°
C13	C14	C47	C48	5.4°	65.0°
C13	C14	C47	C4	175.8°	115.0°
H13	C13	C14	C47	0.5°	0.0°
H13	C13	C14	C9	179.4°	179.8°
C47	C14	C9	H9	0.6°	0.3°
C14	C47	C48	C4	178.8°	179.9°
C14	C47	C48	H48	180.0°	180.0°
C14	C47	C48	H48A	0.0°	0.0°
C14	C47	C4	C5	72.3°	75.3°
C14	C47	C4	C3	111.9°	105.0°
C9	C14	C47	C48	173.5°	115.3°
C9	C14	C47	C4	5.3°	64.8°
C47	C48	H48	H48A	180.0°	179.9°
C48	C47	C4	C5	106.5°	104.7°
C48	C47	C4	C3	69.3°	74.9°
C4	C47	C48	H48	1.2°	0.1°
C4	C47	C48	H48A	178.8°	180.0°
C47	C4	C5	C3	175.8°	179.7°
C47	C4	C3	C2	175.7°	179.9°
C47	C4	C3	C43	4.2°	0.1°
C47	C4	C5	C6	175.7°	180.0°
C47	C4	C5	H5	4.3°	0.1°
C5	C4	C3	C2	0.1°	0.5°
C5	C4	C3	C43	179.9°	179.6°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C19	179.4°	179.4°
C4	C5	C6	C1	0.3°	0.2°
C4	C3	C2	C43	179.9°	180.0°
C4	C3	C43	H43	82.3°	90.1°
C4	C3	C43	H43A	157.7°	150.0°
C4	C3	C43	H43B	37.6°	29.9°
C4	C3	C2	C1	0.4°	0.1°
C4	C3	C2	H2	179.6°	179.9°
C3	C4	C5	C6	0.1°	0.3°
C3	C4	C5	H5	179.9°	179.7°
C2	C3	C43	H43	97.6°	90.0°
C2	C3	C43	H43A	22.4°	30.0°
C2	C3	C43	H43B	142.4°	150.0°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	C6	0.7°	0.5°
C3	C2	C1	C22	179.6°	179.7°
C3	C43	H43	H43A	120.0°	119.9°
C3	C43	H43	H43B	120.0°	120.0°
C3	C43	H43A	H43B	120.0°	120.0°
C43	C3	C2	C1	179.6°	180.0°
C43	C3	C2	H2	0.4°	0.0°
H43	C43	H43A	H43B	120.0°	120.1°
C2	C1	C6	C5	0.6°	0.6°
C2	C1	C6	C19	179.7°	179.0°
C2	C1	C6	C22	179.0°	179.9°
C2	C1	C22	C21	149.1°	161.9°
C2	C1	C22	C39	94.0°	41.6°
C2	C1	C22	C35	26.4°	77.8°
H2	C2	C1	C6	179.3°	179.6°
H2	C2	C1	C22	0.4°	0.3°
C5	C6	C19	C1	179.1°	179.6°
C5	C6	C19	C31	59.5°	77.2°
C5	C6	C19	C20	179.7°	162.6°
C5	C6	C19	C27	61.5°	42.3°
C5	C6	C1	C22	179.5°	179.5°
H5	C5	C6	C19	0.6°	0.7°
H5	C5	C6	C1	179.7°	179.7°
C6	C19	C31	C20	122.1°	121.0°
C6	C19	C31	C27	120.3°	119.5°
C6	C19	C20	C27	119.0°	120.3°
C6	C19	C27	H27	54.8°	59.9°
C6	C19	C27	H27A	174.8°	180.0°
C6	C19	C27	H27B	65.2°	60.0°
C6	C19	C31	H31	94.8°	60.0°
C6	C19	C31	H31A	145.2°	180.0°
C6	C19	C31	H31B	25.3°	60.0°
C6	C19	C20	C21	33.3°	51.1°
C6	C19	C20	H20	86.7°	170.8°
C6	C19	C20	H20A	149.1°	68.7°
C19	C6	C1	C22	1.4°	0.9°
C1	C6	C19	C31	121.4°	102.4°
C1	C6	C19	C20	0.7°	17.9°
C1	C6	C19	C27	117.6°	138.1°
C6	C1	C22	C21	32.0°	17.9°
C6	C1	C22	C39	85.0°	138.3°
C6	C1	C22	C35	154.6°	102.3°
C31	C19	C20	C27	119.1°	119.5°
C31	C19	C27	H27	176.2°	179.5°
C31	C19	C27	H27A	63.8°	60.5°
C31	C19	C27	H27B	56.2°	59.5°
C19	C31	H31	H31A	120.0°	120.0°
C19	C31	H31	H31B	120.0°	120.0°
C19	C31	H31A	H31B	120.0°	120.1°
C31	C19	C20	C21	155.2°	69.2°
C31	C19	C20	H20	35.2°	50.5°
C31	C19	C20	H20A	89.0°	171.1°
C20	C19	C27	H27	65.6°	61.1°
C20	C19	C27	H27A	54.4°	59.0°
C20	C19	C27	H27B	174.4°	178.9°
C20	C19	C31	H31	143.1°	178.9°
C20	C19	C31	H31A	23.1°	59.0°
C20	C19	C31	H31B	96.9°	61.1°
C19	C20	C21	H20	120.0°	119.7°
C19	C20	C21	H20A	115.8°	119.8°
C19	C20	H20	H20A	116.4°	120.6°
C19	C20	C21	C22	64.1°	69.9°
C19	C20	C21	H21	175.9°	49.8°
C19	C20	C21	H21A	57.2°	170.3°
C19	C27	H27	H27A	120.0°	120.1°
C19	C27	H27	H27B	120.0°	119.9°
C19	C27	H27A	H27B	120.0°	120.0°
C27	C19	C31	H31	25.5°	59.5°
C27	C19	C31	H31A	94.5°	60.5°
C27	C19	C31	H31B	145.6°	179.5°
C27	C19	C20	C21	85.7°	171.4°
C27	C19	C20	H20	154.3°	68.9°
C27	C19	C20	H20A	30.1°	51.6°
H27	C27	H27A	H27B	120.0°	120.0°
H31	C31	H31A	H31B	120.0°	120.0°
C21	C20	H20	H20A	116.4°	120.5°
C20	C21	C22	H21	120.0°	119.7°
C20	C21	C22	H21A	121.3°	119.8°
C20	C21	H21	H21A	121.4°	120.5°
C20	C21	C22	C39	57.7°	171.5°
C20	C21	C22	C1	59.1°	51.2°
C20	C21	C22	C35	179.5°	69.1°
H20	C20	C21	C22	55.9°	170.4°
H20	C20	C21	H21	64.1°	69.9°
H20	C20	C21	H21A	177.3°	50.6°
H20A	C20	C21	C22	179.9°	49.9°
H20A	C20	C21	H21	60.1°	169.6°
H20A	C20	C21	H21A	58.6°	69.9°
C22	C21	H21	H21A	121.4°	120.5°
C21	C22	C39	C1	118.4°	121.1°
C21	C22	C39	C35	122.2°	119.4°
C21	C22	C1	C35	122.6°	120.2°
C21	C22	C39	H39	65.6°	60.0°
C21	C22	C39	H39A	54.4°	179.9°
C21	C22	C39	H39B	174.4°	60.0°
C21	C22	C35	H35	108.2°	60.0°
C21	C22	C35	H35A	11.8°	180.0°
C21	C22	C35	H35B	131.8°	60.0°
H21	C21	C22	C39	62.3°	51.8°
H21	C21	C22	C1	179.2°	68.6°
H21	C21	C22	C35	59.5°	171.2°
H21A	C21	C22	C39	179.0°	68.7°
H21A	C21	C22	C1	62.2°	171.0°
H21A	C21	C22	C35	59.2°	50.7°
C39	C22	C1	C35	120.4°	119.4°
C22	C39	H39	H39A	120.0°	120.0°
C22	C39	H39	H39B	120.0°	120.0°
C22	C39	H39A	H39B	120.0°	120.0°
C39	C22	C35	H35	11.7°	179.4°
C39	C22	C35	H35A	131.7°	60.5°
C39	C22	C35	H35B	108.2°	59.4°
C1	C22	C39	H39	52.8°	178.9°
C1	C22	C39	H39A	172.8°	58.9°
C1	C22	C39	H39B	67.2°	61.1°
C1	C22	C35	H35	130.0°	61.1°
C1	C22	C35	H35A	110.0°	59.0°
C1	C22	C35	H35B	10.1°	178.9°
C35	C22	C39	H39	172.2°	59.4°
C35	C22	C39	H39A	67.8°	60.5°
C35	C22	C39	H39B	52.2°	179.4°
C22	C35	H35	H35A	120.0°	120.0°
C22	C35	H35	H35B	120.0°	120.0°
C22	C35	H35A	H35B	120.0°	120.0°
H39	C39	H39A	H39B	120.0°	120.0°
H35	C35	H35A	H35B	120.0°	120.0°

Definition date:	2009-04-13
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3H0A