C3B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.56Å
C1	O5	sing	1.43Å	1.51Å
C1	N1	sing	1.47Å	1.46Å
C2	O2	sing	1.43Å	1.46Å
C2	C3	sing	1.53Å	1.56Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.50Å
C4	O4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.57Å
C5	O5	sing	1.43Å	1.46Å
C5	C6	sing	1.53Å	1.58Å
C6	O6	sing	1.43Å	1.49Å
N1	C2A	sing	1.34Å	1.39Å
N1	C6A	sing	1.36Å	1.46Å
C2A	O2A	doub	1.22Å	1.30Å
C2A	N3	sing	1.33Å	1.43Å
N3	C4A	doub	1.33Å	1.34Å
C4A	N4	sing	1.37Å	1.30Å
C4A	C5A	sing	1.41Å	1.53Å
C5A	C6A	doub	1.36Å	1.39Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
N4	HN4	sing	0.97Å	1.00Å
N4	HN4A	sing	0.97Å	1.00Å
C5A	H5A	sing	1.08Å	1.08Å
C6A	H6	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	112.8°	109.4°
C2	C1	N1	115.9°	109.5°
C1	C2	O2	110.1°	109.5°
C1	C2	C3	107.8°	109.2°
C2	C1	H1	100.9°	109.5°
C1	C2	H2	110.6°	109.5°
O5	C1	N1	103.8°	109.5°
C1	O5	C5	109.3°	114.1°
O5	C1	H1	113.6°	109.5°
C1	N1	C2A	110.9°	119.8°
C1	N1	C6A	128.6°	119.8°
N1	C1	H1	110.4°	109.5°
O2	C2	C3	110.9°	109.5°
O2	C2	H2	107.6°	109.5°
C2	O2	HO2	109.5°	114.1°
C2	C3	O3	110.6°	109.6°
C2	C3	C4	108.5°	109.0°
C3	C2	H2	109.8°	109.6°
C2	C3	H3	109.5°	109.6°
O3	C3	C4	109.6°	109.6°
O3	C3	H3	108.3°	109.6°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	109.0°	109.5°
C3	C4	C5	110.9°	109.2°
C4	C3	H3	110.4°	109.5°
C3	C4	H4	109.1°	109.5°
O4	C4	C5	110.1°	109.5°
O4	C4	H4	109.9°	109.5°
C4	O4	HO4	109.5°	114.1°
C4	C5	O5	113.4°	109.4°
C4	C5	C6	114.7°	109.5°
C5	C4	H4	107.9°	109.6°
C4	C5	H5	101.7°	109.5°
O5	C5	C6	105.4°	109.4°
O5	C5	H5	111.6°	109.5°
C5	C6	O6	109.3°	109.5°
C6	C5	H5	110.3°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.6°	109.5°
O6	C6	H61	109.5°	109.5°
O6	C6	H62	109.6°	109.4°
C6	O6	HO6	109.5°	114.0°
C2A	N1	C6A	120.5°	120.4°
N1	C2A	O2A	126.0°	119.5°
N1	C2A	N3	117.8°	121.1°
N1	C6A	C5A	121.7°	119.2°
N1	C6A	H6	119.1°	120.4°
O2A	C2A	N3	116.2°	119.4°
C2A	N3	C4A	124.6°	120.7°
N3	C4A	N4	120.7°	120.2°
N3	C4A	C5A	119.1°	119.6°
N4	C4A	C5A	120.2°	120.2°
C4A	N4	HN4	111.2°	120.0°
C4A	N4	HN4A	124.4°	120.0°
C4A	C5A	C6A	116.3°	119.0°
C4A	C5A	H5A	121.8°	120.5°
C6A	C5A	H5A	121.9°	120.5°
C5A	C6A	H6	119.2°	120.3°
H61	C6	H62	109.3°	109.5°
HN4	N4	HN4A	124.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	N1	126.1°	120.0°
C2	C1	O5	H1	114.0°	120.0°
C2	C1	N1	H1	113.8°	120.0°
C1	C2	O2	C3	119.3°	119.7°
C1	C2	O2	H2	120.6°	120.1°
C1	C2	C3	H2	120.6°	119.9°
C1	C2	C3	O3	179.2°	176.8°
C1	C2	C3	C4	59.0°	57.0°
C2	C1	O5	C5	56.7°	61.2°
C2	C1	N1	C2A	141.4°	65.0°
C2	C1	N1	C6A	39.1°	114.8°
C1	C2	O2	HO2	12.6°	180.0°
C1	C2	C3	H3	61.6°	62.9°
O5	C1	N1	H1	122.0°	120.1°
O5	C1	C2	O2	179.6°	177.5°
O5	C1	C2	C3	59.3°	57.6°
C1	O5	C5	C4	54.2°	61.2°
C1	O5	C5	C6	179.6°	178.9°
O5	C1	N1	C2A	94.4°	54.9°
O5	C1	N1	C6A	85.1°	125.3°
O5	C1	C2	H2	60.8°	62.4°
C1	O5	C5	H5	59.9°	58.8°
N1	C1	C2	O2	60.2°	62.5°
N1	C1	C2	C3	178.7°	177.6°
N1	C1	O5	C5	177.1°	178.9°
C1	N1	C2A	C6A	179.6°	179.8°
C1	N1	C2A	O2A	0.3°	0.1°
C1	N1	C2A	N3	179.6°	180.0°
C1	N1	C6A	C5A	179.4°	179.7°
N1	C1	C2	H2	58.6°	57.6°
C1	N1	C6A	H6	0.5°	0.1°
O2	C2	C3	H2	118.8°	120.1°
O2	C2	C3	O3	60.2°	63.2°
O2	C2	C3	C4	179.6°	176.9°
O2	C2	C1	H1	58.9°	57.5°
O2	C2	C3	H3	59.1°	57.0°
C2	C3	O3	C4	119.5°	119.5°
C2	C3	O3	H3	119.9°	120.2°
C2	C3	C4	H3	119.9°	119.9°
C2	C3	C4	O4	179.3°	176.9°
C2	C3	C4	C5	58.0°	57.0°
C3	C2	C1	H1	62.2°	62.4°
C3	C2	O2	HO2	131.9°	60.3°
C2	C3	O3	HO3	152.1°	180.0°
C2	C3	C4	H4	60.7°	63.0°
O3	C3	C4	H3	119.3°	120.2°
O3	C3	C4	O4	59.9°	63.2°
O3	C3	C4	C5	178.8°	176.9°
O3	C3	C2	H2	58.6°	56.9°
O3	C3	C4	H4	60.1°	56.9°
C3	C4	O4	C5	121.9°	119.7°
C3	C4	O4	H4	119.4°	120.0°
C3	C4	C5	H4	119.4°	119.9°
C3	C4	C5	O5	57.3°	57.6°
C3	C4	C5	C6	178.4°	177.6°
C4	C3	C2	H2	61.6°	63.0°
C4	C3	O3	HO3	88.4°	60.5°
C3	C4	O4	HO4	104.6°	60.0°
C3	C4	C5	H5	62.6°	62.4°
O4	C4	C5	H4	119.9°	120.2°
O4	C4	C5	O5	178.0°	177.5°
O4	C4	C5	C6	60.9°	62.5°
O4	C4	C3	H3	59.4°	57.0°
O4	C4	C5	H5	58.0°	57.5°
C4	C5	O5	C6	126.2°	119.9°
C4	C5	O5	H5	114.1°	120.0°
C4	C5	C6	H5	114.0°	120.1°
C4	C5	C6	O6	46.7°	175.0°
C5	C4	C3	H3	61.9°	62.9°
C5	C4	O4	HO4	17.2°	179.7°
C4	C5	C6	H61	166.7°	55.1°
C4	C5	C6	H62	73.3°	65.0°
O5	C5	C6	H5	120.6°	120.0°
O5	C5	C6	O6	78.7°	65.1°
C5	O5	C1	H1	57.3°	58.8°
O5	C5	C4	H4	62.1°	62.3°
O5	C5	C6	H61	41.3°	175.0°
O5	C5	C6	H62	161.2°	54.9°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.1°	120.0°
C6	C5	C4	H4	59.0°	57.6°
C5	C6	H61	H62	120.1°	120.1°
C5	C6	O6	HO6	74.9°	179.9°
O6	C6	C5	H5	160.7°	55.0°
O6	C6	H61	H62	120.1°	120.0°
N1	C2A	O2A	N3	179.9°	179.9°
N1	C2A	N3	C4A	0.2°	0.1°
C2A	N1	C6A	C5A	0.0°	0.5°
C2A	N1	C1	H1	27.6°	175.0°
C2A	N1	C6A	H6	180.0°	179.7°
C6A	N1	C2A	O2A	179.9°	179.7°
C6A	N1	C2A	N3	0.0°	0.2°
N1	C6A	C5A	C4A	0.1°	0.5°
N1	C6A	C5A	H6	180.0°	179.8°
C6A	N1	C1	H1	152.9°	5.3°
N1	C6A	C5A	H5A	179.9°	179.7°
O2A	C2A	N3	C4A	179.7°	180.0°
C2A	N3	C4A	N4	179.5°	180.0°
C2A	N3	C4A	C5A	0.3°	0.0°
N3	C4A	N4	C5A	179.8°	180.0°
N3	C4A	C5A	C6A	0.2°	0.2°
N3	C4A	N4	HN4	180.0°	0.0°
N3	C4A	N4	HN4A	0.0°	180.0°
N3	C4A	C5A	H5A	179.7°	180.0°
N4	C4A	C5A	C6A	179.6°	179.7°
C4A	N4	HN4	HN4A	180.0°	180.0°
N4	C4A	C5A	H5A	0.4°	0.1°
C4A	C5A	C6A	H5A	180.0°	179.8°
C5A	C4A	N4	HN4	0.2°	180.0°
C5A	C4A	N4	HN4A	179.9°	0.0°
C4A	C5A	C6A	H6	179.9°	179.7°
H1	C1	C2	H2	177.7°	177.7°
H2	C2	O2	HO2	108.0°	59.9°
H2	C2	C3	H3	177.8°	177.1°
H3	C3	O3	HO3	32.2°	59.8°
H3	C3	C4	H4	179.4°	177.1°
H4	C4	O4	HO4	135.9°	60.1°
H4	C4	C5	H5	178.0°	177.7°
H5	C5	C6	H61	79.3°	65.0°
H5	C5	C6	H62	40.7°	174.9°
H61	C6	O6	HO6	165.1°	60.0°
H62	C6	O6	HO6	45.1°	60.1°
H5A	C5A	C6A	H6	0.1°	0.1°

Definition date:	2007-11-16
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3BD8