HC8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O21	C19	doub	1.21Å	1.22Å
C19	C20	sing	1.51Å	1.46Å
C19	C18	sing	1.46Å	1.52Å
C18	C5	doub	1.41Å	1.41Å	Aromatic
C18	C16	sing	1.40Å	1.39Å	Aromatic
C5	C4	sing	1.51Å	1.51Å
C5	C6	sing	1.35Å	1.37Å	Aromatic
C4	C2	sing	1.51Å	1.51Å
C2	O3	doub	1.21Å	1.20Å
C2	C1	sing	1.51Å	1.50Å
C16	O17	sing	1.35Å	1.33Å
C16	C15	doub	1.41Å	1.40Å	Aromatic
C15	C7	sing	1.42Å	1.38Å	Aromatic
C15	C13	sing	1.41Å	1.41Å	Aromatic
C7	C6	doub	1.41Å	1.38Å	Aromatic
C7	C8	sing	1.40Å	1.38Å	Aromatic
C13	O14	sing	1.36Å	1.35Å
C13	C12	doub	1.38Å	1.37Å	Aromatic
C12	C9	sing	1.40Å	1.36Å	Aromatic
C9	C8	doub	1.38Å	1.37Å	Aromatic
C9	O10	sing	1.36Å	1.38Å
O10	C11	sing	1.43Å	1.40Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C20	H20B	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
O17	HO17	sing	0.97Å	0.95Å
C6	H6	sing	1.08Å	1.08Å
O14	HO14	sing	0.97Å	0.95Å
C12	H12	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C11	H11B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	C19	C20	118.8°	120.0°
O21	C19	C18	124.0°	120.0°
C20	C19	C18	117.2°	120.0°
C19	C20	H20	109.5°	109.4°
C19	C20	H20A	109.4°	109.5°
C19	C20	H20B	109.5°	109.4°
C19	C18	C5	121.1°	119.8°
C19	C18	C16	120.0°	119.8°
C5	C18	C16	118.9°	120.3°
C18	C5	C4	124.5°	119.6°
C18	C5	C6	119.3°	120.8°
C18	C16	O17	122.2°	120.4°
C18	C16	C15	120.9°	119.3°
C4	C5	C6	116.1°	119.6°
C5	C4	C2	119.7°	109.5°
C5	C4	H4	106.2°	109.5°
C5	C4	H4A	103.8°	109.5°
C5	C6	C7	121.5°	120.3°
C5	C6	H6	119.3°	119.9°
C4	C2	O3	117.6°	120.0°
C4	C2	C1	120.9°	120.0°
C2	C4	H4	106.2°	109.5°
C2	C4	H4A	103.8°	109.4°
O3	C2	C1	121.4°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.5°
C2	C1	H1B	109.5°	109.5°
O17	C16	C15	116.9°	120.4°
C16	O17	HO17	109.5°	113.9°
C16	C15	C7	118.7°	119.5°
C16	C15	C13	121.3°	120.9°
C7	C15	C13	120.0°	119.7°
C15	C7	C6	120.6°	119.8°
C15	C7	C8	120.1°	119.4°
C15	C13	O14	124.7°	120.2°
C15	C13	C12	117.6°	119.7°
C6	C7	C8	119.3°	120.8°
C7	C6	H6	119.3°	119.8°
C7	C8	C9	120.4°	119.8°
C7	C8	H8	119.8°	120.1°
O14	C13	C12	117.7°	120.1°
C13	O14	HO14	109.5°	114.0°
C13	C12	C9	122.8°	120.6°
C13	C12	H12	118.6°	119.7°
C12	C9	C8	119.0°	120.8°
C12	C9	O10	119.0°	119.7°
C9	C12	H12	118.6°	119.7°
C8	C9	O10	122.0°	119.5°
C9	C8	H8	119.8°	120.1°
C9	O10	C11	121.4°	117.0°
O10	C11	H11	109.5°	109.5°
O10	C11	H11A	109.5°	109.4°
O10	C11	H11B	109.5°	109.5°
H20	C20	H20A	109.5°	109.5°
H20	C20	H20B	109.4°	109.5°
H20A	C20	H20B	109.5°	109.5°
H4	C4	H4A	117.9°	109.4°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.4°	109.4°
H1A	C1	H1B	109.5°	109.5°
H11	C11	H11A	109.4°	109.4°
H11	C11	H11B	109.5°	109.5°
H11A	C11	H11B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	C19	C20	C18	179.6°	179.7°
O21	C19	C18	C5	169.5°	88.4°
O21	C19	C18	C16	12.3°	91.3°
O21	C19	C20	H20	62.8°	0.0°
O21	C19	C20	H20A	177.2°	120.0°
O21	C19	C20	H20B	57.1°	120.0°
C20	C19	C18	C5	10.1°	91.3°
C20	C19	C18	C16	168.1°	89.0°
C19	C20	H20	H20A	120.0°	120.0°
C19	C20	H20	H20B	120.0°	120.0°
C19	C20	H20A	H20B	120.0°	120.0°
C19	C18	C5	C16	178.2°	179.6°
C19	C18	C5	C4	3.6°	0.1°
C19	C18	C5	C6	179.2°	180.0°
C19	C18	C16	O17	0.1°	0.1°
C19	C18	C16	C15	179.6°	180.0°
C18	C19	C20	H20	117.6°	179.7°
C18	C19	C20	H20A	2.4°	59.7°
C18	C19	C20	H20B	122.4°	60.3°
C18	C5	C4	C6	175.7°	179.9°
C18	C5	C4	C2	58.2°	85.9°
C5	C18	C16	O17	178.3°	179.7°
C5	C18	C16	C15	1.3°	0.4°
C18	C5	C6	C7	2.4°	0.1°
C18	C5	C4	H4	178.2°	154.0°
C18	C5	C4	H4A	56.9°	34.1°
C18	C5	C6	H6	177.6°	180.0°
C16	C18	C5	C4	178.2°	179.7°
C16	C18	C5	C6	2.6°	0.4°
C18	C16	O17	C15	179.7°	179.9°
C18	C16	C15	C7	0.2°	0.0°
C18	C16	C15	C13	179.6°	180.0°
C18	C16	O17	HO17	124.4°	90.0°
C5	C4	C2	H4	120.0°	120.1°
C5	C4	C2	H4A	115.0°	120.0°
C5	C4	C2	O3	150.7°	0.1°
C5	C4	C2	C1	27.4°	180.0°
C4	C5	C6	C7	178.3°	180.0°
C5	C4	H4	H4A	115.8°	120.0°
C4	C5	C6	H6	1.7°	0.1°
C6	C5	C4	C2	126.2°	94.2°
C5	C6	C7	C15	0.8°	0.3°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	178.8°	180.0°
C6	C5	C4	H4	6.2°	25.9°
C6	C5	C4	H4A	118.8°	145.8°
C4	C2	O3	C1	178.1°	179.9°
C2	C4	H4	H4A	115.8°	120.0°
C4	C2	C1	H1	57.7°	90.0°
C4	C2	C1	H1A	177.7°	149.9°
C4	C2	C1	H1B	62.3°	29.9°
O3	C2	C4	H4	89.4°	120.0°
O3	C2	C4	H4A	35.6°	120.0°
O3	C2	C1	H1	124.3°	90.1°
O3	C2	C1	H1A	4.3°	30.0°
O3	C2	C1	H1B	115.7°	150.0°
C1	C2	C4	H4	92.6°	59.9°
C1	C2	C4	H4A	142.5°	60.1°
C2	C1	H1	H1A	120.0°	120.1°
C2	C1	H1	H1B	120.0°	119.9°
C2	C1	H1A	H1B	120.0°	120.0°
O17	C16	C15	C7	179.9°	180.0°
O17	C16	C15	C13	0.2°	0.1°
C16	C15	C7	C13	179.8°	180.0°
C16	C15	C7	C6	0.5°	0.3°
C16	C15	C7	C8	179.8°	180.0°
C16	C15	C13	O14	0.3°	0.1°
C16	C15	C13	C12	179.8°	180.0°
C15	C16	O17	HO17	55.9°	89.9°
C15	C7	C6	C8	179.6°	179.7°
C7	C15	C13	O14	180.0°	180.0°
C7	C15	C13	C12	0.0°	0.0°
C15	C7	C8	C9	1.0°	0.0°
C15	C7	C6	H6	179.2°	179.7°
C15	C7	C8	H8	179.0°	180.0°
C13	C15	C7	C6	179.3°	179.7°
C13	C15	C7	C8	0.4°	0.0°
C15	C13	O14	C12	179.9°	180.0°
C15	C13	C12	C9	1.8°	0.0°
C15	C13	O14	HO14	123.0°	90.0°
C15	C13	C12	H12	178.2°	180.0°
C6	C7	C8	C9	179.4°	179.7°
C6	C7	C8	H8	0.6°	0.3°
C7	C8	C9	C12	2.7°	0.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	O10	179.6°	180.0°
C8	C7	C6	H6	1.2°	0.0°
O14	C13	C12	C9	178.2°	180.0°
O14	C13	C12	H12	1.8°	0.0°
C13	C12	C9	H12	180.0°	180.0°
C13	C12	C9	C8	3.1°	0.0°
C13	C12	C9	O10	179.1°	180.0°
C12	C13	O14	HO14	56.9°	90.0°
C12	C9	C8	O10	177.7°	180.0°
C12	C9	O10	C11	163.1°	0.0°
C12	C9	C8	H8	177.3°	180.0°
C8	C9	O10	C11	19.1°	180.0°
C8	C9	C12	H12	176.9°	180.0°
O10	C9	C12	H12	0.9°	0.0°
O10	C9	C8	H8	0.4°	0.0°
C9	O10	C11	H11	46.1°	60.0°
C9	O10	C11	H11A	73.9°	60.0°
C9	O10	C11	H11B	166.1°	180.0°
O10	C11	H11	H11A	120.0°	119.9°
O10	C11	H11	H11B	120.0°	120.0°
O10	C11	H11A	H11B	120.0°	120.0°
H20	C20	H20A	H20B	120.0°	120.0°
H1	C1	H1A	H1B	119.9°	120.0°
H11	C11	H11A	H11B	120.0°	120.0°

Definition date:	2008-05-19
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3D58