GH5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C4	doub	1.21Å	1.23Å
F2	C1	sing	1.40Å	1.29Å
C2	C1	sing	1.53Å	1.47Å
C2	C3	sing	1.53Å	1.59Å
C1	F3	sing	1.40Å	1.34Å
C1	F1	sing	1.40Å	1.29Å
C4	C3	sing	1.51Å	1.51Å
C4	N1	sing	1.35Å	1.43Å
C9	C8	sing	1.53Å	1.51Å
C9	N1	sing	1.47Å	1.46Å
C8	C7	sing	1.53Å	1.53Å
N1	C5	sing	1.47Å	1.51Å
C16	C17	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.37Å	Aromatic
C17	C12	sing	1.39Å	1.37Å	Aromatic
N3	C10	doub	1.31Å	1.34Å	Aromatic
N3	C11	sing	1.35Å	1.35Å	Aromatic
C7	C6	sing	1.53Å	1.48Å
C7	C10	sing	1.51Å	1.47Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.53Å	1.53Å
C12	C11	sing	1.48Å	1.49Å
C12	C13	doub	1.39Å	1.38Å	Aromatic
C10	O2	sing	1.34Å	1.25Å	Aromatic
C11	N2	doub	1.31Å	1.33Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
O2	N2	sing	1.21Å	1.35Å	Aromatic
C14	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.08Å	1.08Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.08Å	1.08Å
C16	H17	sing	1.08Å	1.08Å
C17	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C4	C3	115.9°	120.0°
O1	C4	N1	117.4°	119.9°
F2	C1	C2	113.2°	109.5°
F2	C1	F3	111.1°	109.4°
F2	C1	F1	107.9°	109.5°
C1	C2	C3	105.8°	109.5°
C2	C1	F3	108.6°	109.5°
C2	C1	F1	105.6°	109.5°
C1	C2	H14	110.4°	109.5°
C1	C2	H15	110.4°	109.5°
C2	C3	C4	102.4°	109.5°
C2	C3	H12	111.2°	109.5°
C2	C3	H13	111.2°	109.4°
C3	C2	H14	110.4°	109.5°
C3	C2	H15	110.4°	109.4°
F3	C1	F1	110.3°	109.4°
C3	C4	N1	126.4°	120.0°
C4	C3	H12	111.2°	109.5°
C4	C3	H13	111.2°	109.5°
C4	N1	C9	120.8°	120.7°
C4	N1	C5	117.8°	120.6°
C8	C9	N1	112.8°	108.8°
C9	C8	C7	106.7°	109.3°
C9	C8	H7	110.1°	109.5°
C9	C8	H8	110.2°	109.5°
C8	C9	H9	108.6°	109.6°
C8	C9	H10	108.6°	109.6°
C9	N1	C5	120.2°	118.7°
N1	C9	H9	108.7°	109.6°
N1	C9	H10	108.6°	109.6°
C8	C7	C6	108.7°	109.5°
C8	C7	C10	109.7°	109.4°
C8	C7	H6	109.3°	109.5°
C7	C8	H7	110.2°	109.5°
C7	C8	H8	110.1°	109.4°
N1	C5	C6	112.1°	108.8°
N1	C5	H2	108.8°	109.6°
N1	C5	H3	108.8°	109.8°
C17	C16	C15	119.6°	120.2°
C16	C17	C12	121.5°	119.8°
C17	C16	H17	120.2°	119.9°
C16	C17	H18	119.2°	120.1°
C16	C15	C14	119.5°	120.2°
C16	C15	H16	120.2°	119.9°
C15	C16	H17	120.2°	119.9°
C17	C12	C11	122.6°	120.1°
C17	C12	C13	118.4°	119.8°
C12	C17	H18	119.2°	120.1°
C10	N3	C11	109.2°	105.5°
N3	C10	C7	127.3°	126.4°
N3	C10	O2	109.8°	107.1°
N3	C11	C12	128.4°	126.4°
N3	C11	N2	103.2°	107.2°
C6	C7	C10	108.8°	109.5°
C7	C6	C5	110.1°	109.3°
C7	C6	H4	109.3°	109.5°
C7	C6	H5	109.3°	109.5°
C6	C7	H6	110.0°	109.5°
C7	C10	O2	122.9°	126.5°
C10	C7	H6	110.2°	109.4°
C15	C14	C13	120.0°	120.1°
C15	C14	H1	120.0°	119.9°
C14	C15	H16	120.2°	119.8°
C6	C5	H2	108.8°	109.6°
C6	C5	H3	108.8°	109.6°
C5	C6	H4	109.3°	109.5°
C5	C6	H5	109.3°	109.5°
C11	C12	C13	118.7°	120.1°
C12	C11	N2	128.3°	126.4°
C12	C13	C14	120.7°	119.9°
C12	C13	H11	119.6°	120.1°
C10	O2	N2	106.9°	110.0°
C11	N2	O2	110.8°	110.1°
C13	C14	H1	120.0°	120.0°
C14	C13	H11	119.6°	120.0°
H2	C5	H3	109.4°	109.5°
H4	C6	H5	109.5°	109.5°
H7	C8	H8	109.5°	109.6°
H9	C9	H10	109.5°	109.7°
H12	C3	H13	109.5°	109.5°
H14	C2	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C4	C3	C2	11.9°	0.2°
O1	C4	C3	N1	174.1°	179.8°
O1	C4	N1	C9	0.7°	0.2°
O1	C4	N1	C5	168.4°	179.7°
O1	C4	C3	H12	106.9°	120.3°
O1	C4	C3	H13	130.8°	119.7°
F2	C1	C2	F3	123.9°	120.0°
F2	C1	C2	F1	117.8°	120.1°
F2	C1	C2	C3	166.3°	180.0°
F2	C1	F3	F1	119.5°	120.0°
F2	C1	C2	H14	74.3°	60.0°
F2	C1	C2	H15	46.9°	60.0°
C1	C2	C3	H14	119.4°	120.0°
C1	C2	C3	H15	119.4°	120.0°
C2	C1	F3	F1	115.3°	120.0°
C1	C2	C3	C4	167.6°	180.0°
C1	C2	C3	H12	48.8°	60.0°
C1	C2	C3	H13	73.5°	60.0°
C1	C2	H14	H15	121.7°	120.0°
C3	C2	C1	F3	69.8°	60.0°
C3	C2	C1	F1	48.5°	59.9°
C2	C3	C4	H12	118.9°	120.0°
C2	C3	C4	H13	118.9°	120.0°
C2	C3	C4	N1	173.9°	180.0°
C2	C3	H12	H13	123.3°	120.0°
C3	C2	H14	H15	121.7°	119.9°
F3	C1	C2	H14	49.6°	60.0°
F3	C1	C2	H15	170.8°	180.0°
F1	C1	C2	H14	167.9°	180.0°
F1	C1	C2	H15	71.0°	60.1°
C3	C4	N1	C9	173.4°	180.0°
C3	C4	N1	C5	5.6°	0.0°
C4	C3	H12	H13	123.3°	120.0°
C4	C3	C2	H14	73.0°	60.0°
C4	C3	C2	H15	48.2°	60.0°
C4	N1	C9	C8	153.7°	126.4°
C4	N1	C9	C5	167.5°	180.0°
C4	N1	C5	C6	158.5°	126.4°
C4	N1	C5	H2	81.1°	6.6°
C4	N1	C5	H3	38.1°	113.7°
C4	N1	C9	H9	85.8°	113.8°
C4	N1	C9	H10	33.2°	6.6°
N1	C4	C3	H12	67.2°	60.0°
N1	C4	C3	H13	55.1°	60.1°
C8	C9	N1	H9	120.5°	119.8°
C8	C9	N1	H10	120.5°	119.8°
C9	C8	C7	H7	119.6°	120.0°
C9	C8	C7	H8	119.6°	119.9°
C8	C9	N1	C5	38.8°	53.6°
C9	C8	C7	C6	68.4°	61.3°
C9	C8	C7	C10	172.7°	178.6°
C9	C8	C7	H6	51.7°	58.7°
C9	C8	H7	H8	121.3°	120.1°
C8	C9	H9	H10	118.4°	120.3°
N1	C9	C8	C7	53.4°	54.6°
C9	N1	C5	C6	33.7°	53.7°
C9	N1	C5	H2	86.7°	173.4°
C9	N1	C5	H3	154.1°	66.3°
N1	C9	C8	H7	66.2°	174.6°
N1	C9	C8	H8	172.9°	65.2°
N1	C9	H9	H10	118.5°	120.4°
C8	C7	C10	N3	2.0°	119.5°
C8	C7	C6	C10	119.4°	120.0°
C8	C7	C6	H6	119.7°	120.0°
C8	C7	C10	H6	120.4°	119.9°
C8	C7	C6	C5	65.1°	61.4°
C8	C7	C10	O2	179.4°	60.1°
C8	C7	C6	H4	55.0°	178.7°
C8	C7	C6	H5	174.8°	58.6°
C7	C8	H7	H8	121.3°	120.0°
C7	C8	C9	H9	67.1°	65.2°
C7	C8	C9	H10	173.9°	174.4°
N1	C5	C6	C7	45.6°	54.7°
N1	C5	C6	H2	120.4°	119.8°
N1	C5	C6	H3	120.4°	120.0°
N1	C5	H2	H3	118.8°	120.4°
N1	C5	C6	H4	74.5°	174.6°
N1	C5	C6	H5	165.7°	65.3°
C5	N1	C9	H9	81.7°	66.2°
C5	N1	C9	H10	159.3°	173.4°
C17	C16	C15	H17	180.0°	179.7°
C16	C17	C12	H18	180.0°	179.6°
C17	C16	C15	C14	4.0°	0.0°
C16	C17	C12	C11	176.6°	180.0°
C16	C17	C12	C13	2.0°	0.6°
C17	C16	C15	H16	176.0°	180.0°
C15	C16	C17	C12	0.8°	0.3°
C16	C15	C14	H16	180.0°	180.0°
C16	C15	C14	C13	4.3°	0.0°
C16	C15	C14	H1	175.7°	179.7°
C15	C16	C17	H18	179.2°	180.0°
C17	C12	C11	N3	9.7°	0.2°
C17	C12	C11	C13	174.5°	179.4°
C17	C12	C11	N2	172.8°	179.4°
C17	C12	C13	C14	1.7°	0.6°
C17	C12	C13	H11	178.3°	179.5°
C12	C17	C16	H17	179.2°	180.0°
N3	C10	C7	C6	116.9°	120.4°
N3	C10	C7	O2	178.7°	179.6°
C10	N3	C11	C12	179.0°	179.8°
C10	N3	C11	N2	1.1°	0.0°
N3	C10	O2	N2	1.3°	0.4°
N3	C10	C7	H6	122.4°	0.5°
C11	N3	C10	C7	178.7°	179.9°
N3	C11	C12	N2	177.5°	179.7°
N3	C11	C12	C13	164.9°	179.7°
C11	N3	C10	O2	0.1°	0.2°
N3	C11	N2	O2	1.9°	0.3°
C6	C7	C10	H6	120.7°	120.0°
C7	C6	C5	H4	120.1°	119.9°
C7	C6	C5	H5	120.1°	120.0°
C6	C7	C10	O2	61.8°	59.9°
C7	C6	C5	H2	74.8°	174.5°
C7	C6	C5	H3	166.0°	65.3°
C7	C6	H4	H5	119.7°	120.1°
C6	C7	C8	H7	51.1°	178.7°
C6	C7	C8	H8	172.0°	58.6°
C10	C7	C6	C5	175.5°	178.6°
C7	C10	O2	N2	177.6°	179.9°
C10	C7	C6	H4	64.4°	58.7°
C10	C7	C6	H5	55.4°	61.4°
C10	C7	C8	H7	67.8°	58.7°
C10	C7	C8	H8	53.1°	61.5°
C15	C14	C13	C12	1.4°	0.3°
C15	C14	C13	H1	180.0°	179.7°
C15	C14	C13	H11	178.5°	179.8°
C14	C15	C16	H17	176.0°	179.8°
C6	C5	H2	H3	118.8°	120.3°
C5	C6	H4	H5	119.7°	120.1°
C5	C6	C7	H6	54.6°	58.7°
C11	C12	C13	C14	176.5°	180.0°
C12	C11	N2	O2	179.8°	180.0°
C11	C12	C13	H11	3.5°	0.1°
C11	C12	C17	H18	3.4°	0.3°
C13	C12	C11	N2	12.6°	0.0°
C12	C13	C14	H11	180.0°	179.9°
C12	C13	C14	H1	178.5°	180.0°
C13	C12	C17	H18	178.0°	179.8°
C10	O2	N2	C11	2.0°	0.4°
O2	C10	C7	H6	59.0°	179.9°
C13	C14	C15	H16	175.7°	180.0°
H1	C14	C13	H11	1.5°	0.1°
H1	C14	C15	H16	4.3°	0.3°
H2	C5	C6	H4	165.1°	65.6°
H2	C5	C6	H5	45.3°	54.5°
H3	C5	C6	H4	45.9°	54.6°
H3	C5	C6	H5	73.9°	174.7°
H4	C6	C7	H6	174.7°	61.3°
H5	C6	C7	H6	65.5°	178.7°
H6	C7	C8	H7	171.3°	61.3°
H6	C7	C8	H8	67.8°	178.6°
H7	C8	C9	H9	173.3°	54.7°
H7	C8	C9	H10	54.3°	65.6°
H8	C8	C9	H9	52.4°	174.9°
H8	C8	C9	H10	66.6°	54.6°
H12	C3	C2	H14	168.2°	180.0°
H12	C3	C2	H15	70.6°	60.0°
H13	C3	C2	H14	45.9°	60.0°
H13	C3	C2	H15	167.0°	179.9°
H16	C15	C16	H17	4.0°	0.2°
H17	C16	C17	H18	0.8°	0.3°

Release date:	2018-12-26
Definition date:	2018-09-17
Last modified:	2018-12-21
Release status:	REL
Processing site:	RCSB
Derived from:	6HNZ