B6D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	O1	sing	1.43Å	1.43Å
N2	C7	sing	1.35Å	1.38Å
C3	O3	sing	1.43Å	1.47Å
C3	C2	sing	1.53Å	1.55Å
C4	C3	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.10Å
C5	C4	sing	1.53Å	1.54Å
C5	O5	sing	1.43Å	1.48Å
C6	C5	sing	1.53Å	1.53Å
C6	H61	sing	1.09Å	1.10Å
C7	O7	doub	1.21Å	1.22Å
C7	C8	sing	1.51Å	1.55Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C9	C10	sing	1.51Å	1.54Å
C2	N2	sing	1.47Å	1.47Å
C2	H2	sing	1.09Å	1.10Å
N4	C4	sing	1.46Å	1.47Å
C10	N4	sing	1.35Å	1.37Å
C10	O10	doub	1.21Å	1.22Å
O5	C1	sing	1.43Å	1.48Å
O3	HO3	sing	0.97Å	0.95Å
H1	C1	sing	1.09Å	1.10Å
H3	C3	sing	1.09Å	1.10Å
HN2	N2	sing	0.97Å	1.00Å
H5	C5	sing	1.09Å	1.10Å
H83	C8	sing	1.09Å	1.10Å
HN4	N4	sing	0.97Å	1.00Å
H9	C9	sing	1.09Å	1.10Å
H9B	C9	sing	1.09Å	1.10Å
H62	C6	sing	1.09Å	1.10Å
H6A	C6	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	109.4°	109.5°
C1	C2	C3	109.4°	109.2°
C1	C2	N2	109.6°	109.5°
C1	C2	H2	110.3°	109.5°
C2	C1	O5	108.8°	109.4°
C2	C1	H1	110.3°	109.5°
O1	C1	O5	110.3°	109.5°
O1	C1	H1	108.7°	109.5°
C1	O1	HO1	109.5°	114.0°
N2	C7	O7	123.8°	120.0°
N2	C7	C8	115.8°	120.0°
C7	N2	C2	124.9°	120.0°
C7	N2	HN2	117.5°	120.0°
O3	C3	C2	109.5°	109.5°
O3	C3	C4	108.5°	109.5°
C3	O3	HO3	109.5°	114.0°
O3	C3	H3	110.1°	109.6°
C2	C3	C4	109.7°	109.0°
C3	C2	N2	111.8°	109.5°
C3	C2	H2	107.9°	109.6°
C2	C3	H3	109.0°	109.6°
C3	C4	H4	107.8°	109.5°
C3	C4	C5	111.0°	109.2°
C3	C4	N4	110.7°	109.5°
C4	C3	H3	110.0°	109.6°
H4	C4	C5	108.5°	109.5°
H4	C4	N4	108.8°	109.5°
C4	C5	O5	109.3°	109.4°
C4	C5	C6	113.9°	109.5°
C5	C4	N4	110.0°	109.6°
C4	C5	H5	105.5°	109.4°
O5	C5	C6	105.9°	109.5°
C5	O5	C1	115.2°	114.1°
O5	C5	H5	113.5°	109.5°
C5	C6	H61	109.5°	109.5°
C6	C5	H5	108.9°	109.5°
C5	C6	H62	109.5°	109.5°
C5	C6	H6A	109.5°	109.5°
H61	C6	H62	109.5°	109.5°
H61	C6	H6A	109.4°	109.5°
O7	C7	C8	120.4°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.4°	109.5°
C7	C8	H83	109.5°	109.4°
H81	C8	H82	109.5°	109.5°
H81	C8	H83	109.4°	109.4°
H82	C8	H83	109.5°	109.5°
H9A	C9	C10	109.5°	109.5°
H9A	C9	H9	109.5°	109.5°
H9A	C9	H9B	109.5°	109.5°
C9	C10	N4	115.2°	120.0°
C9	C10	O10	120.9°	120.0°
C10	C9	H9	109.4°	109.5°
C10	C9	H9B	109.4°	109.5°
N2	C2	H2	107.8°	109.6°
C2	N2	HN2	117.6°	120.0°
C4	N4	C10	124.1°	120.0°
C4	N4	HN4	117.9°	120.0°
N4	C10	O10	123.9°	120.0°
C10	N4	HN4	117.9°	120.0°
O5	C1	H1	109.3°	109.5°
H9	C9	H9B	109.5°	109.4°
H62	C6	H6A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	119.6°	119.9°
C2	C1	O1	H1	120.5°	120.0°
C1	C2	N2	C7	77.9°	85.0°
C1	C2	C3	O3	177.4°	176.8°
C1	C2	C3	N2	121.6°	119.8°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	C4	58.4°	57.0°
C2	C1	O5	C5	59.3°	61.2°
C1	C2	N2	H2	120.0°	120.2°
C2	C1	O5	H1	120.5°	120.0°
C1	C2	C3	H3	62.1°	62.9°
C1	C2	N2	HN2	102.2°	95.0°
C2	C1	O1	HO1	87.9°	180.0°
O1	C1	C2	C3	178.8°	177.6°
O1	C1	O5	C5	179.3°	178.9°
O1	C1	C2	N2	58.3°	62.6°
O1	C1	C2	H2	60.2°	57.6°
O1	C1	O5	H1	119.5°	120.1°
C7	N2	C2	C3	160.6°	155.3°
N2	C7	O7	C8	178.6°	179.9°
N2	C7	C8	H81	6.2°	90.0°
N2	C7	C8	H82	126.2°	30.0°
C7	N2	C2	HN2	180.0°	180.0°
C7	N2	C2	H2	42.1°	35.1°
N2	C7	C8	H83	113.8°	150.1°
O3	C3	C2	C4	119.0°	119.8°
O3	C3	C2	H3	120.5°	120.3°
O3	C3	C4	H3	120.5°	120.3°
O3	C3	C4	H4	57.4°	56.9°
O3	C3	C4	C5	176.1°	176.8°
O3	C3	C2	N2	61.0°	63.3°
O3	C3	C2	H2	57.4°	56.9°
O3	C3	C4	N4	61.5°	63.2°
C2	C3	C4	H3	119.9°	119.9°
C2	C3	C4	H4	62.2°	62.9°
C2	C3	C4	C5	56.6°	57.0°
C3	C2	N2	H2	118.5°	120.2°
C2	C3	C4	N4	178.9°	177.0°
C3	C2	C1	O5	58.2°	57.7°
C2	C3	O3	HO3	153.6°	60.1°
C3	C2	C1	H1	61.7°	62.3°
C3	C2	N2	HN2	19.3°	24.7°
C3	C4	H4	C5	120.3°	119.7°
C3	C4	H4	N4	120.1°	120.1°
C3	C4	C5	N4	122.8°	119.9°
C3	C4	C5	O5	54.0°	57.6°
C3	C4	C5	C6	172.3°	177.6°
C4	C3	C2	N2	180.0°	176.9°
C4	C3	C2	H2	61.6°	62.9°
C3	C4	N4	C10	73.5°	155.0°
C4	C3	O3	HO3	33.9°	179.6°
C3	C4	C5	H5	68.4°	62.4°
C3	C4	N4	HN4	106.5°	25.0°
H4	C4	C5	N4	119.0°	120.2°
H4	C4	C5	O5	64.3°	62.3°
H4	C4	C5	C6	54.0°	57.7°
H4	C4	N4	C10	168.2°	34.9°
H4	C4	C3	H3	178.0°	177.2°
H4	C4	C5	H5	173.4°	177.8°
H4	C4	N4	HN4	11.8°	145.1°
C4	C5	O5	C6	123.1°	120.0°
C4	C5	O5	H5	117.5°	119.9°
C4	C5	C6	H5	117.4°	120.0°
C4	C5	C6	H61	92.0°	60.0°
C5	C4	N4	C10	49.4°	85.3°
C4	C5	O5	C1	56.9°	61.2°
C5	C4	C3	H3	63.3°	62.9°
C5	C4	N4	HN4	130.6°	94.7°
C4	C5	C6	H62	148.0°	180.0°
C4	C5	C6	H6A	28.0°	60.0°
O5	C5	C6	H5	122.4°	120.0°
O5	C5	C6	H61	28.2°	60.0°
O5	C5	C4	N4	176.8°	177.5°
C5	O5	C1	H1	61.2°	58.8°
O5	C5	C6	H62	91.8°	60.1°
O5	C5	C6	H6A	148.2°	179.9°
C5	C6	H61	H62	120.0°	120.0°
C5	C6	H61	H6A	120.0°	120.0°
C6	C5	C4	N4	65.0°	62.5°
C6	C5	O5	C1	180.0°	178.8°
C5	C6	H62	H6A	120.0°	120.0°
H61	C6	C5	H5	150.6°	180.0°
H61	C6	H62	H6A	120.0°	120.0°
O7	C7	C8	H81	175.1°	89.9°
O7	C7	C8	H82	55.1°	150.0°
O7	C7	N2	C2	8.1°	0.1°
O7	C7	N2	HN2	171.9°	180.0°
O7	C7	C8	H83	64.9°	30.0°
C7	C8	H81	H82	120.0°	120.1°
C7	C8	H81	H83	120.0°	119.9°
C7	C8	H82	H83	120.0°	120.0°
C8	C7	N2	C2	173.2°	180.0°
C8	C7	N2	HN2	6.8°	0.0°
H81	C8	H82	H83	120.0°	120.0°
H9A	C9	C10	H9	120.0°	120.0°
H9A	C9	C10	H9B	120.0°	120.0°
H9A	C9	C10	N4	121.8°	0.0°
H9A	C9	C10	O10	59.4°	180.0°
H9A	C9	H9	H9B	120.0°	120.0°
C9	C10	N4	C4	173.9°	180.0°
C9	C10	N4	O10	178.8°	179.9°
C9	C10	N4	HN4	6.1°	0.0°
C10	C9	H9	H9B	120.0°	120.0°
N2	C2	C1	O5	178.8°	177.5°
N2	C2	C1	H1	61.2°	57.5°
N2	C2	C3	H3	59.5°	56.9°
H2	C2	C1	O5	60.4°	62.3°
H2	C2	C1	H1	179.7°	177.7°
H2	C2	C3	H3	177.9°	177.1°
H2	C2	N2	HN2	137.8°	144.8°
C4	N4	C10	HN4	180.0°	180.0°
C4	N4	C10	O10	7.3°	0.1°
N4	C4	C3	H3	59.0°	57.1°
N4	C4	C5	H5	54.4°	57.6°
N4	C10	C9	H9	118.2°	120.0°
N4	C10	C9	H9B	1.8°	120.0°
O10	C10	N4	HN4	172.7°	180.0°
O10	C10	C9	H9	60.6°	59.9°
O10	C10	C9	H9B	179.4°	60.0°
C1	O5	C5	H5	60.6°	58.8°
O5	C1	O1	HO1	152.4°	60.2°
HO3	O3	C3	H3	86.6°	60.1°
H1	C1	O1	HO1	32.5°	59.9°
H5	C5	C6	H62	30.6°	60.0°
H5	C5	C6	H6A	89.4°	60.0°

Definition date:	2008-05-01
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2K33