9CD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.42Å
C14	C15	sing	1.51Å	1.53Å
C14	C13	doub	1.33Å	1.34Å
O16	C12	doub	1.22Å	1.25Å
O4	C4	sing	1.43Å	1.43Å
C4	C3	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.54Å
C3	C2	sing	1.53Å	1.55Å
C12	C13	sing	1.47Å	1.49Å
C12	N2	sing	1.35Å	1.37Å
C2	N2	sing	1.46Å	1.43Å
C2	C1	sing	1.53Å	1.62Å
O6	C6	sing	1.43Å	1.36Å
O5	C5	sing	1.43Å	1.40Å
O5	C1	sing	1.43Å	1.45Å
C5	C6	sing	1.53Å	1.56Å
O3	HO3	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
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
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N2	HN21	sing	0.97Å	1.00Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
C15	H17	sing	1.09Å	1.10Å
C1	O1	sing	1.43Å	1.34Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C4	108.8°	109.6°
O3	C3	C2	106.7°	109.6°
C3	O3	HO3	109.5°	114.0°
O3	C3	H3	111.7°	109.5°
C15	C14	C13	124.3°	120.0°
C15	C14	H14	117.8°	120.0°
C14	C15	H15	109.5°	109.5°
C14	C15	H16	109.4°	109.4°
C14	C15	H17	109.5°	109.5°
C14	C13	C12	122.7°	120.0°
C14	C13	H13	118.6°	120.0°
C13	C14	H14	117.8°	120.0°
O16	C12	C13	124.4°	120.0°
O16	C12	N2	120.1°	120.0°
O4	C4	C3	107.1°	109.5°
O4	C4	C5	111.5°	109.5°
O4	C4	H4	111.4°	109.5°
C4	O4	HO4	109.5°	114.0°
C3	C4	C5	107.1°	109.2°
C4	C3	C2	109.7°	109.0°
C4	C3	H3	110.1°	109.6°
C3	C4	H4	109.9°	109.5°
C4	C5	O5	104.4°	109.4°
C4	C5	C6	110.9°	109.5°
C5	C4	H4	109.7°	109.6°
C4	C5	H5	109.4°	109.5°
C3	C2	N2	105.2°	109.5°
C3	C2	C1	110.8°	109.2°
C2	C3	H3	109.8°	109.5°
C3	C2	H2	107.8°	109.5°
C13	C12	N2	115.5°	120.0°
C12	C13	H13	118.6°	120.0°
C12	N2	C2	121.3°	120.0°
C12	N2	HN21	119.3°	120.0°
N2	C2	C1	116.4°	109.5°
N2	C2	H2	109.4°	109.5°
C2	N2	HN21	119.4°	120.0°
C2	C1	O5	111.4°	109.4°
C2	C1	H1	106.0°	109.5°
C1	C2	H2	107.0°	109.6°
C2	C1	O1	131.4°	109.5°
O6	C6	C5	107.7°	109.4°
O6	C6	H61	109.9°	109.5°
O6	C6	H62	109.9°	109.5°
C6	O6	HO6	109.5°	113.9°
C5	O5	C1	113.1°	114.1°
O5	C5	C6	111.3°	109.5°
O5	C5	H5	111.6°	109.5°
O5	C1	H1	107.9°	109.5°
O5	C1	O1	88.1°	109.5°
C6	C5	H5	109.2°	109.5°
C5	C6	H61	109.9°	109.5°
C5	C6	H62	109.9°	109.4°
H61	C6	H62	109.5°	109.5°
H1	C1	O1	109.4°	109.5°
H15	C15	H16	109.5°	109.4°
H15	C15	H17	109.5°	109.5°
H16	C15	H17	109.5°	109.5°
C1	O1	HO1	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C4	O4	62.9°	63.2°
O3	C3	C4	C2	116.4°	119.9°
O3	C3	C4	H3	122.7°	120.2°
O3	C3	C4	C5	177.4°	176.8°
O3	C3	C2	H3	121.2°	120.2°
O3	C3	C2	N2	70.7°	63.2°
O3	C3	C2	C1	162.7°	176.8°
O3	C3	C4	H4	58.2°	56.9°
O3	C3	C2	H2	45.9°	56.9°
C15	C14	C13	H14	180.0°	180.0°
C15	C14	C13	C12	177.7°	180.0°
C15	C14	C13	H13	2.3°	0.1°
C14	C15	H15	H16	120.0°	120.0°
C14	C15	H15	H17	120.0°	120.0°
C14	C15	H16	H17	120.0°	120.0°
C14	C13	C12	O16	58.3°	0.0°
C14	C13	C12	H13	180.0°	179.9°
C14	C13	C12	N2	121.2°	179.9°
C13	C14	C15	H15	180.0°	179.9°
C13	C14	C15	H16	60.0°	60.0°
C13	C14	C15	H17	60.0°	60.0°
O16	C12	C13	N2	179.5°	179.9°
O16	C12	N2	C2	3.3°	0.0°
O16	C12	N2	HN21	176.8°	179.9°
O16	C12	C13	H13	121.8°	179.9°
O4	C4	C3	C5	119.7°	119.9°
O4	C4	C3	H4	121.1°	120.1°
O4	C4	C5	H4	123.9°	120.1°
O4	C4	C3	C2	179.3°	176.9°
O4	C4	C5	O5	170.1°	177.5°
O4	C4	C5	C6	50.2°	62.5°
O4	C4	C3	H3	59.8°	57.0°
O4	C4	C5	H5	70.3°	57.5°
C3	C4	C5	H4	119.3°	119.9°
C4	C3	C2	H3	121.1°	119.9°
C4	C3	C2	N2	171.7°	176.9°
C4	C3	C2	C1	45.1°	56.9°
C3	C4	C5	O5	73.1°	57.6°
C3	C4	C5	C6	167.0°	177.6°
C4	C3	O3	HO3	180.0°	60.5°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	H5	46.5°	62.4°
C4	C3	C2	H2	71.7°	63.0°
C5	C4	C3	C2	61.0°	56.9°
C4	C5	C6	O6	85.3°	175.0°
C4	C5	O5	C6	119.7°	120.0°
C4	C5	O5	H5	118.1°	120.0°
C4	C5	O5	C1	71.9°	61.2°
C4	C5	C6	H5	120.7°	120.0°
C5	C4	C3	H3	59.9°	62.9°
C5	C4	O4	HO4	63.2°	60.3°
C4	C5	C6	H61	34.4°	55.0°
C4	C5	C6	H62	155.0°	65.0°
C3	C2	N2	C12	141.7°	155.0°
C3	C2	N2	C1	123.1°	119.7°
C3	C2	N2	H2	115.5°	120.1°
C3	C2	C1	H2	117.2°	119.9°
C3	C2	C1	O5	41.1°	57.6°
C2	C3	O3	HO3	61.7°	179.9°
C2	C3	C4	H4	58.2°	63.0°
C3	C2	C1	H1	76.1°	62.4°
C3	C2	N2	HN21	38.3°	25.1°
C3	C2	C1	O1	148.4°	177.6°
C13	C12	N2	C2	176.2°	180.0°
C13	C12	N2	HN21	3.8°	0.0°
C12	C13	C14	H14	2.3°	0.0°
C12	N2	C2	HN21	180.0°	180.0°
C12	N2	C2	C1	95.2°	85.3°
C12	N2	C2	H2	26.2°	34.9°
N2	C12	C13	H13	58.8°	0.0°
N2	C2	C1	H2	122.6°	120.2°
N2	C2	C1	O5	161.2°	177.5°
N2	C2	C3	H3	50.6°	57.0°
N2	C2	C1	H1	44.0°	57.5°
N2	C2	C1	O1	91.4°	62.5°
C2	C1	O5	C5	56.7°	61.2°
C2	C1	O5	H1	116.0°	120.0°
C2	C1	O5	O1	134.2°	120.0°
C1	C2	C3	H3	76.0°	63.0°
C2	C1	H1	O1	146.1°	120.0°
C1	C2	N2	HN21	84.8°	94.6°
C2	C1	O1	HO1	180.0°	179.9°
O6	C6	C5	O5	30.4°	65.0°
O6	C6	C5	H61	119.7°	120.0°
O6	C6	C5	H62	119.7°	120.0°
O6	C6	C5	H5	154.0°	55.0°
O6	C6	H61	H62	120.8°	120.0°
O5	C5	C6	H5	123.6°	120.0°
O5	C5	C4	H4	46.2°	62.3°
O5	C5	C6	H61	150.1°	175.0°
O5	C5	C6	H62	89.3°	54.9°
C5	O5	C1	H1	59.3°	58.9°
C5	O5	C1	O1	169.1°	178.9°
C1	O5	C5	C6	168.4°	178.9°
C1	O5	C5	H5	46.2°	58.8°
O5	C1	H1	O1	94.4°	120.0°
O5	C1	C2	H2	76.2°	62.3°
O5	C1	O1	HO1	62.8°	60.0°
C6	C5	C4	H4	73.7°	57.7°
C5	C6	H61	H62	120.8°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
HO3	O3	C3	H3	58.3°	59.8°
H3	C3	C4	H4	179.0°	177.1°
H3	C3	C2	H2	167.2°	177.1°
H4	C4	O4	HO4	59.8°	59.9°
H4	C4	C5	H5	165.8°	177.7°
H5	C5	C6	H61	86.3°	65.0°
H5	C5	C6	H62	34.3°	175.0°
H61	C6	O6	HO6	60.3°	60.0°
H62	C6	O6	HO6	60.2°	60.0°
H1	C1	C2	H2	166.7°	177.7°
H1	C1	O1	HO1	45.6°	60.1°
H2	C2	N2	HN21	153.8°	145.2°
H2	C2	C1	O1	31.2°	57.7°
H13	C13	C14	H14	177.7°	179.9°
H14	C14	C15	H15	0.0°	0.1°
H14	C14	C15	H16	120.0°	120.0°
H14	C14	C15	H17	120.0°	120.0°
H15	C15	H16	H17	120.0°	120.0°

Release date:	2017-10-18
Definition date:	2017-04-18
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	5VIE