HF0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C16	sing	1.43Å	1.42Å
O4	C3	sing	1.36Å	1.37Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.37Å	Aromatic
O3	C1	sing	1.36Å	1.36Å
C3	C4	sing	1.39Å	1.38Å	Aromatic
C1	C6	doub	1.40Å	1.42Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.41Å	1.40Å	Aromatic
C6	C9	sing	1.47Å	1.44Å
O2	C9	doub	1.21Å	1.23Å
C5	O1	sing	1.35Å	1.37Å
C9	C8	sing	1.52Å	1.50Å
O1	C7	sing	1.43Å	1.45Å
C8	C7	sing	1.54Å	1.53Å
C8	O5	sing	1.43Å	1.43Å
C7	C10	sing	1.51Å	1.50Å
C10	C15	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.39Å	1.38Å	Aromatic
C11	C12	doub	1.39Å	1.38Å	Aromatic
C14	O6	sing	1.36Å	1.37Å
C14	C13	doub	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.39Å	1.39Å	Aromatic
C12	O8	sing	1.36Å	1.37Å
C13	O7	sing	1.36Å	1.37Å
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.09Å	1.10Å
C16	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.08Å	1.08Å
O3	H10	sing	0.97Å	0.95Å
O5	H11	sing	0.97Å	0.95Å
O6	H12	sing	0.97Å	0.95Å
O7	H13	sing	0.97Å	0.95Å
O8	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	O4	C3	117.6°	117.0°
O4	C16	H6	109.5°	109.5°
O4	C16	H7	109.5°	109.5°
O4	C16	H8	109.5°	109.5°
O4	C3	C2	116.5°	119.7°
O4	C3	C4	122.1°	119.7°
C3	C2	C1	119.4°	120.1°
C2	C3	C4	121.4°	120.7°
C3	C2	H9	120.3°	120.0°
C2	C1	O3	118.1°	120.3°
C2	C1	C6	121.1°	119.5°
C1	C2	H9	120.3°	119.9°
O3	C1	C6	120.7°	120.2°
C1	O3	H10	109.5°	114.0°
C3	C4	C5	118.7°	120.2°
C3	C4	H1	120.6°	119.9°
C1	C6	C5	117.3°	120.2°
C1	C6	C9	121.6°	120.7°
C4	C5	C6	122.0°	119.3°
C4	C5	O1	116.3°	120.0°
C5	C4	H1	120.7°	119.9°
C5	C6	C9	121.0°	119.0°
C6	C5	O1	121.7°	120.7°
C6	C9	O2	122.9°	121.7°
C6	C9	C8	115.6°	116.6°
O2	C9	C8	121.6°	121.7°
C5	O1	C7	116.1°	118.7°
C9	C8	C7	109.6°	107.2°
C9	C8	O5	109.9°	109.9°
C9	C8	H3	108.6°	110.0°
O1	C7	C8	110.7°	109.4°
O1	C7	C10	107.9°	109.5°
O1	C7	H2	109.2°	109.5°
C7	C8	O5	110.7°	109.9°
C8	C7	C10	112.3°	109.5°
C8	C7	H2	108.2°	109.5°
C7	C8	H3	108.3°	109.9°
O5	C8	H3	109.6°	109.8°
C8	O5	H11	109.5°	114.0°
C7	C10	C15	120.5°	119.9°
C7	C10	C11	120.5°	119.9°
C10	C7	H2	108.5°	109.5°
C15	C10	C11	119.0°	120.2°
C10	C15	C14	120.5°	120.1°
C10	C15	H4	119.7°	119.9°
C10	C11	C12	120.5°	120.1°
C10	C11	H5	119.8°	120.0°
C15	C14	O6	120.6°	120.1°
C15	C14	C13	120.4°	119.9°
C14	C15	H4	119.8°	120.0°
C11	C12	C13	120.5°	119.9°
C11	C12	O8	120.6°	120.0°
C12	C11	H5	119.8°	119.9°
O6	C14	C13	118.9°	120.1°
C14	O6	H12	109.5°	114.0°
C14	C13	C12	119.2°	119.8°
C14	C13	O7	120.4°	120.0°
C13	C12	O8	118.9°	120.0°
C12	C13	O7	120.4°	120.1°
C12	O8	H14	109.5°	113.9°
C13	O7	H13	109.5°	114.0°
H6	C16	H7	109.5°	109.5°
H6	C16	H8	109.5°	109.5°
H7	C16	H8	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	O4	C3	C2	162.8°	0.0°
C16	O4	C3	C4	17.8°	179.4°
O4	C16	H6	H7	120.0°	120.0°
O4	C16	H6	H8	120.0°	120.1°
O4	C16	H7	H8	120.0°	120.0°
O4	C3	C2	C4	179.4°	179.4°
O4	C3	C2	C1	179.8°	179.9°
O4	C3	C4	C5	179.3°	179.9°
O4	C3	C4	H1	0.7°	0.4°
C3	O4	C16	H6	180.0°	60.0°
C3	O4	C16	H7	60.0°	60.0°
C3	O4	C16	H8	60.0°	180.0°
O4	C3	C2	H9	0.2°	0.7°
C3	C2	C1	H9	180.0°	179.4°
C3	C2	C1	O3	179.5°	179.6°
C3	C2	C1	C6	1.0°	0.4°
C2	C3	C4	C5	0.0°	0.5°
C2	C3	C4	H1	179.9°	179.8°
C2	C1	O3	C6	179.5°	180.0°
C1	C2	C3	C4	0.8°	0.5°
C2	C1	C6	C5	0.4°	0.5°
C2	C1	C6	C9	179.6°	179.5°
C2	C1	O3	H10	176.5°	90.0°
O3	C1	C6	C5	179.9°	179.5°
O3	C1	C6	C9	0.9°	0.5°
O3	C1	C2	H9	0.5°	0.2°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	C6	0.7°	0.6°
C3	C4	C5	O1	179.6°	179.3°
C4	C3	C2	H9	179.2°	179.9°
C1	C6	C5	C4	0.5°	0.5°
C1	C6	C5	C9	179.2°	179.9°
C1	C6	C9	O2	9.8°	12.1°
C1	C6	C5	O1	179.4°	179.3°
C1	C6	C9	C8	169.3°	167.9°
C6	C1	C2	H9	179.0°	179.8°
C6	C1	O3	H10	3.1°	90.0°
C4	C5	C6	O1	178.9°	179.9°
C4	C5	C6	C9	178.8°	179.4°
C4	C5	O1	C7	160.4°	157.7°
C5	C6	C9	O2	171.1°	167.8°
C5	C6	C9	C8	9.9°	12.2°
C6	C5	O1	C7	20.7°	22.4°
C6	C5	C4	H1	179.3°	179.7°
C6	C9	O2	C8	179.0°	180.0°
C9	C6	C5	O1	0.1°	0.7°
C6	C9	C8	C7	37.3°	40.2°
C6	C9	C8	O5	159.2°	159.6°
C6	C9	C8	H3	80.8°	79.3°
O2	C9	C8	C7	143.6°	139.8°
O2	C9	C8	O5	21.7°	20.4°
O2	C9	C8	H3	98.3°	100.7°
C5	O1	C7	C8	49.2°	52.5°
C5	O1	C7	C10	172.4°	172.5°
O1	C5	C4	H1	0.4°	0.4°
C5	O1	C7	H2	69.8°	67.5°
C9	C8	C7	O1	56.7°	58.7°
C9	C8	C7	O5	121.4°	119.4°
C9	C8	C7	H3	118.4°	119.6°
C9	C8	O5	H3	119.3°	121.2°
C9	C8	C7	C10	177.3°	178.7°
C9	C8	C7	H2	62.9°	61.3°
C9	C8	O5	H11	9.4°	62.3°
O1	C7	C8	C10	120.6°	119.9°
O1	C7	C8	H2	119.7°	120.0°
O1	C7	C8	O5	178.1°	178.1°
O1	C7	C10	H2	118.2°	120.0°
O1	C7	C10	C15	29.0°	140.1°
O1	C7	C10	C11	150.9°	39.7°
O1	C7	C8	H3	61.7°	60.9°
C7	C8	O5	H3	119.5°	121.1°
C8	C7	C10	H2	119.5°	120.1°
C8	C7	C10	C15	93.2°	100.0°
C8	C7	C10	C11	86.8°	80.2°
C7	C8	O5	H11	130.6°	180.0°
O5	C8	C7	C10	61.3°	61.9°
O5	C8	C7	H2	58.4°	58.1°
C7	C10	C15	C11	179.9°	179.7°
C7	C10	C15	C14	179.9°	180.0°
C7	C10	C11	C12	180.0°	180.0°
C10	C7	C8	H3	59.0°	59.1°
C7	C10	C15	H4	0.1°	0.0°
C7	C10	C11	H5	0.0°	0.0°
C10	C15	C14	H4	180.0°	180.0°
C15	C10	C11	C12	0.0°	0.3°
C10	C15	C14	O6	180.0°	180.0°
C10	C15	C14	C13	0.0°	0.1°
C15	C10	C7	H2	147.3°	20.1°
C15	C10	C11	H5	179.9°	179.8°
C11	C10	C15	C14	0.0°	0.2°
C10	C11	C12	H5	180.0°	179.9°
C10	C11	C12	C13	0.0°	0.1°
C10	C11	C12	O8	180.0°	180.0°
C11	C10	C7	H2	32.7°	159.7°
C11	C10	C15	H4	180.0°	179.7°
C15	C14	O6	C13	179.9°	180.0°
C15	C14	C13	C12	0.1°	0.3°
C15	C14	C13	O7	180.0°	180.0°
C15	C14	O6	H12	180.0°	90.1°
C11	C12	C13	C14	0.0°	0.2°
C11	C12	C13	O8	180.0°	180.0°
C11	C12	C13	O7	180.0°	180.0°
C11	C12	O8	H14	180.0°	90.1°
O6	C14	C13	C12	180.0°	179.7°
O6	C14	C13	O7	0.0°	0.0°
O6	C14	C15	H4	0.0°	0.0°
C14	C13	C12	O7	180.0°	179.8°
C14	C13	C12	O8	180.0°	179.7°
C13	C14	C15	H4	179.9°	180.0°
C13	C14	O6	H12	0.0°	90.0°
C14	C13	O7	H13	180.0°	90.3°
C13	C12	C11	H5	180.0°	180.0°
C12	C13	O7	H13	0.0°	89.9°
C13	C12	O8	H14	0.0°	90.0°
O8	C12	C13	O7	0.0°	0.0°
O8	C12	C11	H5	0.1°	0.1°
H2	C7	C8	H3	178.7°	179.1°
H3	C8	O5	H11	110.0°	58.9°
H6	C16	H7	H8	120.0°	119.9°

Release date:	2021-05-12
Definition date:	2020-12-23
Last modified:	2021-05-07
Release status:	REL
Processing site:	PDBJ
Derived from:	7DPV