Y9H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C17	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.54Å
C17	F1	sing	1.40Å	1.41Å
C4	N1	sing	1.47Å	1.47Å
C4	C3	sing	1.53Å	1.54Å
C6	N1	sing	1.47Å	1.47Å
C6	C5	sing	1.53Å	1.53Å
N1	C7	sing	1.38Å	1.39Å
C3	C2	sing	1.53Å	1.54Å
C2	C5	sing	1.53Å	1.55Å
C7	C16	sing	1.41Å	1.40Å	Aromatic
C7	N2	doub	1.32Å	1.37Å	Aromatic
C16	C15	doub	1.35Å	1.40Å	Aromatic
N2	C8	sing	1.34Å	1.34Å	Aromatic
C15	N4	sing	1.37Å	1.37Å	Aromatic
C8	N4	sing	1.37Å	1.40Å	Aromatic
C8	N3	doub	1.33Å	1.36Å	Aromatic
N4	C14	sing	1.38Å	1.38Å	Aromatic
N3	C9	sing	1.35Å	1.37Å	Aromatic
C14	C9	doub	1.41Å	1.42Å	Aromatic
C14	C13	sing	1.39Å	1.39Å	Aromatic
C9	C10	sing	1.40Å	1.40Å	Aromatic
C13	C12	doub	1.38Å	1.40Å	Aromatic
C10	C11	doub	1.37Å	1.39Å	Aromatic
C12	C11	sing	1.39Å	1.40Å	Aromatic
C5	H15	sing	1.09Å	1.10Å
C5	H16	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C10	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C17	H19	sing	1.09Å	1.10Å
C17	H18	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C1	C2	115.2°	109.5°
C1	C17	F1	110.0°	109.5°
C17	C1	H2	108.0°	109.4°
C17	C1	H1	108.0°	109.5°
C1	C17	H19	109.3°	109.4°
C1	C17	H18	109.3°	109.5°
C1	C2	C3	111.5°	109.4°
C1	C2	C5	113.1°	109.4°
C1	C2	H17	107.4°	109.5°
C2	C1	H2	108.1°	109.5°
C2	C1	H1	108.0°	109.4°
F1	C17	H19	109.3°	109.5°
F1	C17	H18	109.3°	109.5°
N1	C4	C3	109.4°	108.8°
C4	N1	C6	109.9°	118.8°
C4	N1	C7	125.0°	120.6°
N1	C4	H4	109.5°	109.6°
N1	C4	H3	109.5°	109.6°
C4	C3	C2	112.3°	109.3°
C3	C4	H4	109.5°	109.6°
C3	C4	H3	109.5°	109.6°
C4	C3	H14	108.7°	109.5°
C4	C3	H13	108.8°	109.5°
N1	C6	C5	110.1°	108.8°
C6	N1	C7	122.0°	120.6°
N1	C6	H6	109.3°	109.6°
N1	C6	H5	109.3°	109.6°
C6	C5	C2	112.0°	109.4°
C6	C5	H15	108.8°	109.5°
C6	C5	H16	108.8°	109.5°
C5	C6	H6	109.3°	109.5°
C5	C6	H5	109.3°	109.6°
N1	C7	C16	121.8°	119.9°
N1	C7	N2	116.7°	119.9°
C3	C2	C5	109.9°	109.5°
C3	C2	H17	107.3°	109.5°
C2	C3	H14	108.8°	109.6°
C2	C3	H13	108.7°	109.5°
C2	C5	H15	108.8°	109.5°
C2	C5	H16	108.8°	109.5°
C5	C2	H17	107.3°	109.5°
C16	C7	N2	121.6°	120.2°
C7	C16	C15	119.8°	119.2°
C7	C16	H12	120.1°	120.4°
C7	N2	C8	117.6°	121.0°
C16	C15	N4	118.3°	119.3°
C16	C15	H11	120.9°	120.4°
C15	C16	H12	120.1°	120.4°
N2	C8	N4	123.2°	120.0°
N2	C8	N3	128.7°	130.8°
C15	N4	C8	119.5°	120.3°
C15	N4	C14	130.1°	132.2°
N4	C15	H11	120.8°	120.4°
N4	C8	N3	108.1°	109.1°
C8	N4	C14	110.4°	107.5°
C8	N3	C9	106.7°	109.7°
N4	C14	C9	103.4°	106.3°
N4	C14	C13	132.5°	133.8°
N3	C9	C14	111.3°	107.4°
N3	C9	C10	129.5°	133.2°
C9	C14	C13	124.0°	119.9°
C14	C9	C10	119.2°	119.4°
C14	C13	C12	114.8°	119.7°
C14	C13	H10	122.6°	120.1°
C9	C10	C11	117.8°	119.9°
C9	C10	H7	121.1°	120.0°
C13	C12	C11	122.9°	120.4°
C13	C12	H9	118.5°	119.7°
C12	C13	H10	122.6°	120.2°
C10	C11	C12	121.3°	120.7°
C11	C10	H7	121.1°	120.1°
C10	C11	H8	119.4°	119.6°
C12	C11	H8	119.4°	119.6°
C11	C12	H9	118.6°	119.8°
H15	C5	H16	109.5°	109.5°
H6	C6	H5	109.5°	109.7°
H4	C4	H3	109.4°	109.7°
H2	C1	H1	109.4°	109.5°
H19	C17	H18	109.4°	109.5°
H14	C3	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C1	C2	H2	120.8°	120.0°
C17	C1	C2	H1	120.9°	120.0°
C1	C17	F1	H19	120.1°	120.0°
C1	C17	F1	H18	120.1°	120.0°
C17	C1	C2	C3	171.2°	65.0°
C17	C1	C2	C5	64.3°	175.0°
C17	C1	C2	H17	53.9°	55.0°
C17	C1	H2	H1	117.4°	120.0°
C1	C17	H19	H18	119.7°	120.0°
C2	C1	C17	F1	52.2°	179.9°
C1	C2	C3	C4	76.9°	178.7°
C1	C2	C5	C6	76.6°	178.7°
C1	C2	C3	C5	126.3°	120.0°
C1	C2	C3	H17	117.3°	120.0°
C1	C2	C5	H17	118.2°	120.0°
C1	C2	C5	H15	43.8°	61.4°
C1	C2	C5	H16	163.0°	58.7°
C2	C1	H2	H1	117.4°	120.0°
C2	C1	C17	H19	172.3°	60.0°
C2	C1	C17	H18	67.9°	60.0°
C1	C2	C3	H14	162.7°	61.4°
C1	C2	C3	H13	43.6°	58.8°
F1	C17	C1	H2	173.0°	60.0°
F1	C17	C1	H1	68.7°	60.0°
F1	C17	H19	H18	119.7°	120.0°
N1	C4	C3	H4	120.0°	119.8°
N1	C4	C3	H3	120.0°	119.8°
C4	N1	C6	C7	161.2°	180.0°
C4	N1	C6	C5	63.9°	53.5°
N1	C4	C3	C2	57.3°	54.6°
C4	N1	C7	C16	24.0°	5.5°
C4	N1	C7	N2	156.2°	174.4°
C4	N1	C6	H6	56.1°	66.2°
C4	N1	C6	H5	176.0°	173.4°
N1	C4	H4	H3	120.1°	120.4°
N1	C4	C3	H14	63.1°	65.4°
N1	C4	C3	H13	177.7°	174.5°
C3	C4	N1	C6	64.0°	53.5°
C3	C4	N1	C7	96.5°	126.4°
C4	C3	C2	H14	120.4°	119.9°
C4	C3	C2	H13	120.5°	119.9°
C4	C3	C2	C5	49.4°	61.3°
C4	C3	C2	H17	165.8°	58.7°
C3	C4	H4	H3	120.0°	120.3°
C4	C3	H14	H13	118.7°	120.1°
N1	C6	C5	H6	120.1°	119.7°
N1	C6	C5	H5	120.1°	119.8°
N1	C6	C5	C2	56.4°	54.6°
C6	N1	C7	C16	177.8°	174.5°
C6	N1	C7	N2	2.0°	5.6°
N1	C6	C5	H15	176.8°	65.3°
N1	C6	C5	H16	64.0°	174.6°
N1	C6	H6	H5	119.7°	120.4°
C6	N1	C4	H4	176.0°	66.2°
C6	N1	C4	H3	56.0°	173.4°
C5	C6	N1	C7	97.2°	126.4°
C6	C5	C2	C3	48.7°	61.4°
C6	C5	C2	H15	120.4°	119.9°
C6	C5	C2	H16	120.4°	120.0°
C6	C5	H15	H16	118.8°	120.1°
C5	C6	H6	H5	119.7°	120.4°
C6	C5	C2	H17	165.1°	58.7°
N1	C7	C16	N2	179.8°	179.9°
N1	C7	C16	C15	179.8°	179.8°
N1	C7	N2	C8	179.8°	180.0°
C7	N1	C6	H6	142.7°	113.8°
C7	N1	C6	H5	22.9°	6.6°
C7	N1	C4	H4	23.5°	113.8°
C7	N1	C4	H3	143.6°	6.6°
N1	C7	C16	H12	0.2°	0.3°
C3	C2	C5	H17	116.4°	120.1°
C3	C2	C5	H15	169.1°	58.5°
C3	C2	C5	H16	71.6°	178.6°
C2	C3	C4	H4	177.3°	65.1°
C2	C3	C4	H3	62.7°	174.5°
C3	C2	C1	H2	68.0°	55.0°
C3	C2	C1	H1	50.3°	175.0°
C2	C3	H14	H13	118.7°	120.1°
C2	C5	H15	H16	118.9°	120.1°
C2	C5	C6	H6	63.7°	65.1°
C2	C5	C6	H5	176.5°	174.4°
C5	C2	C1	H2	56.5°	65.0°
C5	C2	C1	H1	174.8°	55.0°
C5	C2	C3	H14	71.0°	58.6°
C5	C2	C3	H13	169.9°	178.7°
C7	C16	C15	H12	180.0°	179.5°
C16	C7	N2	C8	0.0°	0.0°
C7	C16	C15	N4	0.1°	0.5°
C7	C16	C15	H11	179.9°	180.0°
N2	C7	C16	C15	0.0°	0.3°
C7	N2	C8	N4	0.0°	0.0°
C7	N2	C8	N3	179.8°	179.7°
N2	C7	C16	H12	180.0°	179.8°
C16	C15	N4	H11	180.0°	179.5°
C16	C15	N4	C8	0.1°	0.5°
C16	C15	N4	C14	179.9°	179.5°
N2	C8	N4	C15	0.1°	0.2°
N2	C8	N4	N3	179.8°	179.8°
N2	C8	N4	C14	179.9°	179.8°
N2	C8	N3	C9	180.0°	179.7°
C15	N4	C8	C14	179.8°	180.0°
C15	N4	C8	N3	179.7°	180.0°
C15	N4	C14	C9	179.9°	180.0°
C15	N4	C14	C13	0.2°	0.0°
N4	C15	C16	H12	179.9°	180.0°
N4	C8	N3	C9	0.2°	0.0°
C8	N4	C14	C9	0.1°	0.0°
C8	N4	C14	C13	180.0°	180.0°
C8	N4	C15	H11	179.9°	180.0°
N3	C8	N4	C14	0.1°	0.0°
C8	N3	C9	C14	0.3°	0.0°
C8	N3	C9	C10	180.0°	180.0°
N4	C14	C9	N3	0.2°	0.0°
N4	C14	C9	C13	179.9°	179.9°
N4	C14	C9	C10	180.0°	180.0°
N4	C14	C13	C12	179.9°	180.0°
N4	C14	C13	H10	0.1°	0.0°
C14	N4	C15	H11	0.1°	0.0°
N3	C9	C14	C10	179.8°	180.0°
N3	C9	C14	C13	179.9°	179.9°
N3	C9	C10	C11	179.9°	180.0°
N3	C9	C10	H7	0.1°	0.1°
C9	C14	C13	C12	0.0°	0.0°
C14	C9	C10	C11	0.1°	0.0°
C14	C9	C10	H7	179.9°	179.9°
C9	C14	C13	H10	180.0°	180.0°
C13	C14	C9	C10	0.0°	0.0°
C14	C13	C12	H10	180.0°	180.0°
C14	C13	C12	C11	0.0°	0.0°
C14	C13	C12	H9	180.0°	179.9°
C9	C10	C11	H7	180.0°	179.9°
C9	C10	C11	C12	0.2°	0.0°
C9	C10	C11	H8	179.8°	180.0°
C13	C12	C11	C10	0.1°	0.0°
C13	C12	C11	H9	180.0°	180.0°
C13	C12	C11	H8	179.8°	180.0°
C10	C11	C12	H8	180.0°	180.0°
C10	C11	C12	H9	179.9°	180.0°
C12	C11	C10	H7	179.8°	179.9°
C11	C12	C13	H10	179.9°	180.0°
H15	C5	C6	H6	56.7°	174.9°
H15	C5	C6	H5	63.1°	54.5°
H15	C5	C2	H17	74.5°	178.6°
H16	C5	C6	H6	175.9°	54.9°
H16	C5	C6	H5	56.1°	65.6°
H16	C5	C2	H17	44.8°	61.3°
H17	C2	C1	H2	174.7°	175.0°
H17	C2	C1	H1	67.0°	65.0°
H17	C2	C3	H14	45.4°	178.6°
H17	C2	C3	H13	73.7°	61.2°
H4	C4	C3	H14	56.9°	174.9°
H4	C4	C3	H13	62.2°	54.8°
H3	C4	C3	H14	176.9°	54.5°
H3	C4	C3	H13	57.8°	65.6°
H2	C1	C17	H19	66.8°	180.0°
H2	C1	C17	H18	53.0°	60.0°
H1	C1	C17	H19	51.4°	60.0°
H1	C1	C17	H18	171.2°	180.0°
H7	C10	C11	H8	0.2°	0.1°
H8	C11	C12	H9	0.2°	0.1°
H9	C12	C13	H10	0.1°	0.1°
H11	C15	C16	H12	0.1°	0.5°

Release date:	2023-06-07
Definition date:	2023-01-18
Last modified:	2023-06-02
Release status:	REL
Processing site:	RCSB
Derived from:	8FUG