RBS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O61	C10	doub	1.23Å	1.22Å
C10	C11	sing	1.52Å	1.54Å
C10	N11	sing	1.40Å	1.34Å
C11	C51	doub	1.49Å	1.55Å
C11	H111	sing	1.10Å	1.10Å
C51	H511	sing	1.08Å	1.10Å
C51	H512	sing	1.08Å	1.10Å
N11	C9	sing	1.39Å	1.38Å
N11	HN11	sing	1.03Å	1.00Å
C9	C13	doub	1.39Å	1.41Å	Aromatic
C9	C8	sing	1.39Å	1.40Å	Aromatic
C8	C7	doub	1.41Å	1.40Å	Aromatic
C8	H8	sing	1.09Å	1.08Å
C13	C17	sing	1.40Å	1.40Å	Aromatic
C13	H13	sing	1.09Å	1.08Å
C17	C18	doub	1.39Å	1.40Å	Aromatic
C17	H17	sing	1.09Å	1.08Å
C18	C7	sing	1.40Å	1.39Å	Aromatic
C18	N2	sing	1.34Å	1.35Å	Aromatic
C7	C6	sing	1.39Å	1.38Å	Aromatic
C6	N1	sing	1.42Å	1.36Å
C6	N3	doub	1.35Å	1.37Å	Aromatic
N3	C19	sing	1.34Å	1.34Å	Aromatic
C19	N2	doub	1.35Å	1.34Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
N1	C5	sing	1.40Å	1.36Å
N1	HN1	sing	1.01Å	1.00Å
C5	C20	doub	1.40Å	1.39Å	Aromatic
C5	C4	sing	1.40Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.39Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C20	C21	sing	1.39Å	1.39Å	Aromatic
C20	H20	sing	1.09Å	1.08Å
C21	C22	doub	1.40Å	1.39Å	Aromatic
C21	H21	sing	1.09Å	1.08Å
C22	C3	sing	1.39Å	1.39Å	Aromatic
C22	H22	sing	1.09Å	1.08Å
C3	H3	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O61	C10	C11	120.7°	120.6°
O61	C10	N11	122.9°	126.7°
C11	C10	N11	116.4°	112.7°
C10	C11	C51	117.1°	109.1°
C10	C11	H111	107.0°	107.9°
C10	N11	C9	129.7°	128.2°
C10	N11	HN11	115.1°	115.8°
C51	C11	H111	107.0°	110.3°
C11	C51	H511	109.5°	119.8°
C11	C51	H512	109.5°	120.9°
H511	C51	H512	109.5°	118.5°
C9	N11	HN11	115.1°	116.0°
N11	C9	C13	118.0°	120.1°
N11	C9	C8	123.8°	120.3°
C13	C9	C8	118.2°	119.6°
C9	C13	C17	121.5°	120.1°
C9	C13	H13	119.2°	120.7°
C9	C8	C7	120.3°	120.0°
C9	C8	H8	119.9°	118.8°
C7	C8	H8	119.9°	121.2°
C8	C7	C18	121.1°	121.0°
C8	C7	C6	120.2°	122.9°
C17	C13	H13	119.2°	119.2°
C13	C17	C18	119.2°	121.6°
C13	C17	H17	120.4°	118.7°
C18	C17	H17	120.4°	119.7°
C17	C18	C7	119.7°	117.8°
C17	C18	N2	120.6°	120.7°
C7	C18	N2	119.6°	121.5°
C18	C7	C6	118.7°	116.1°
C18	N2	C19	121.0°	116.7°
C7	C6	N1	116.5°	119.4°
C7	C6	N3	119.4°	123.9°
N1	C6	N3	124.1°	116.7°
C6	N1	C5	128.5°	132.4°
C6	N1	HN1	115.8°	113.3°
C6	N3	C19	121.0°	114.7°
N3	C19	N2	120.3°	127.1°
N3	C19	H19	119.9°	116.6°
N2	C19	H19	119.8°	116.3°
C5	N1	HN1	115.8°	114.3°
N1	C5	C20	117.5°	120.2°
N1	C5	C4	122.9°	120.2°
C20	C5	C4	119.6°	119.6°
C5	C20	C21	120.1°	120.2°
C5	C20	H20	120.0°	120.4°
C5	C4	C3	120.0°	120.2°
C5	C4	H4	120.0°	120.4°
C3	C4	H4	120.0°	119.4°
C4	C3	C22	120.7°	120.0°
C4	C3	H3	119.7°	120.0°
C21	C20	H20	119.9°	119.4°
C20	C21	C22	120.2°	120.0°
C20	C21	H21	119.9°	119.9°
C22	C21	H21	119.9°	120.0°
C21	C22	C3	119.4°	120.0°
C21	C22	H22	120.3°	120.0°
C3	C22	H22	120.3°	120.0°
C22	C3	H3	119.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O61	C10	C11	N11	177.0°	179.7°
O61	C10	C11	C51	92.7°	59.5°
O61	C10	C11	H111	147.3°	60.4°
O61	C10	N11	C9	1.6°	0.4°
O61	C10	N11	HN11	178.4°	179.6°
C10	C11	C51	H111	120.0°	118.3°
C10	C11	C51	H511	29.6°	180.0°
C10	C11	C51	H512	149.6°	10.2°
C11	C10	N11	C9	175.4°	180.0°
C11	C10	N11	HN11	4.6°	0.1°
N11	C10	C11	C51	84.4°	120.2°
N11	C10	C11	H111	35.7°	120.0°
C10	N11	C9	HN11	180.0°	180.0°
C10	N11	C9	C13	178.8°	0.0°
C10	N11	C9	C8	2.2°	179.9°
C11	C51	H511	H512	120.0°	170.0°
H111	C11	C51	H511	149.6°	61.7°
H111	C11	C51	H512	90.3°	128.6°
N11	C9	C13	C8	179.1°	179.9°
N11	C9	C8	C7	179.7°	180.0°
N11	C9	C8	H8	0.3°	0.1°
N11	C9	C13	C17	179.9°	180.0°
N11	C9	C13	H13	0.1°	0.1°
HN11	N11	C9	C13	1.2°	180.0°
HN11	N11	C9	C8	177.8°	0.1°
C13	C9	C8	C7	0.7°	0.0°
C13	C9	C8	H8	179.3°	180.0°
C9	C13	C17	H13	180.0°	180.0°
C9	C13	C17	C18	0.1°	0.0°
C9	C13	C17	H17	180.0°	180.0°
C9	C8	C7	H8	180.0°	180.0°
C8	C9	C13	C17	0.9°	0.1°
C8	C9	C13	H13	179.2°	180.0°
C9	C8	C7	C18	0.4°	0.0°
C9	C8	C7	C6	179.8°	180.0°
C8	C7	C18	C17	1.3°	0.0°
C8	C7	C18	C6	179.5°	180.0°
C8	C7	C18	N2	179.3°	180.0°
C8	C7	C6	N1	0.5°	0.0°
C8	C7	C6	N3	179.1°	180.0°
H8	C8	C7	C18	179.6°	180.0°
H8	C8	C7	C6	0.2°	0.0°
C13	C17	C18	H17	180.0°	180.0°
C13	C17	C18	C7	1.2°	0.0°
C13	C17	C18	N2	179.4°	180.0°
H13	C13	C17	C18	179.9°	180.0°
H13	C13	C17	H17	0.1°	0.0°
C17	C18	C7	N2	179.4°	179.9°
C17	C18	C7	C6	179.2°	180.0°
C17	C18	N2	C19	179.0°	180.0°
H17	C17	C18	C7	178.9°	180.0°
H17	C17	C18	N2	0.5°	0.0°
C18	C7	C6	N1	180.0°	180.0°
C18	C7	C6	N3	0.3°	0.0°
C7	C18	N2	C19	0.4°	0.1°
N2	C18	C7	C6	0.2°	0.1°
C18	N2	C19	N3	0.8°	0.0°
C18	N2	C19	H19	179.2°	179.9°
C7	C6	N1	N3	179.6°	180.0°
C7	C6	N3	C19	0.7°	0.0°
C7	C6	N1	C5	179.6°	149.9°
C7	C6	N1	HN1	0.4°	29.9°
N1	C6	N3	C19	179.7°	180.0°
C6	N1	C5	HN1	180.0°	179.9°
C6	N1	C5	C20	179.2°	150.1°
C6	N1	C5	C4	0.3°	29.9°
C6	N3	C19	N2	1.0°	0.0°
C6	N3	C19	H19	179.0°	180.0°
N3	C6	N1	C5	0.0°	30.1°
N3	C6	N1	HN1	180.0°	150.0°
N3	C19	N2	H19	180.0°	180.0°
N1	C5	C20	C4	179.5°	180.0°
N1	C5	C4	C3	179.8°	180.0°
N1	C5	C4	H4	0.2°	0.0°
N1	C5	C20	C21	180.0°	180.0°
N1	C5	C20	H20	0.1°	0.0°
HN1	N1	C5	C20	0.8°	30.1°
HN1	N1	C5	C4	179.7°	150.0°
C20	C5	C4	C3	0.7°	0.0°
C20	C5	C4	H4	179.2°	180.0°
C5	C20	C21	H20	180.0°	180.0°
C5	C20	C21	C22	0.1°	0.0°
C5	C20	C21	H21	179.9°	180.0°
C5	C4	C3	H4	180.0°	179.9°
C4	C5	C20	C21	0.5°	0.0°
C4	C5	C20	H20	179.6°	180.0°
C5	C4	C3	C22	0.4°	0.0°
C5	C4	C3	H3	179.6°	179.9°
C4	C3	C22	C21	0.1°	0.0°
C4	C3	C22	H3	180.0°	179.9°
C4	C3	C22	H22	179.9°	180.0°
H4	C4	C3	C22	179.5°	180.0°
H4	C4	C3	H3	0.5°	0.0°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C3	0.4°	0.0°
C20	C21	C22	H22	179.6°	180.0°
H20	C20	C21	C22	179.9°	180.0°
H20	C20	C21	H21	0.1°	0.0°
C21	C22	C3	H22	180.0°	180.0°
C21	C22	C3	H3	179.9°	179.9°
H21	C21	C22	C3	179.6°	180.0°
H21	C21	C22	H22	0.4°	0.0°
H22	C22	C3	H3	0.1°	0.1°

Definition date:	2006-08-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB