FYE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.54Å
O	C	sing	1.43Å	1.44Å
C1	C	sing	1.53Å	1.53Å
C	C6	sing	1.53Å	1.53Å
C	C5	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.51Å
C6	N	sing	1.47Å	1.46Å
C4	C5	sing	1.53Å	1.54Å
N	C7	sing	1.35Å	1.33Å
C7	O1	doub	1.21Å	1.22Å
C7	C8	sing	1.48Å	1.50Å
O3	C8	sing	1.34Å	1.38Å
O3	C16	sing	1.35Å	1.40Å
C15	C16	doub	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.40Å	Aromatic
C8	C9	doub	1.36Å	1.40Å
C16	C11	sing	1.41Å	1.40Å	Aromatic
C14	C13	doub	1.39Å	1.40Å	Aromatic
C9	C10	sing	1.47Å	1.40Å
C11	C12	doub	1.39Å	1.39Å	Aromatic
C11	C10	sing	1.48Å	1.47Å
C13	F	sing	1.35Å	1.34Å
C13	C12	sing	1.38Å	1.39Å	Aromatic
C10	O2	doub	1.22Å	1.26Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C14	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C3	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.08Å	1.08Å
N	H13	sing	0.97Å	1.00Å
O	H14	sing	0.97Å	0.95Å
C2	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C1	H17	sing	1.09Å	1.10Å
C1	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	111.5°	109.5°
C2	C1	C	110.9°	109.4°
C1	C2	H15	109.0°	109.5°
C1	C2	H16	109.0°	109.5°
C2	C1	H17	109.1°	109.4°
C2	C1	H18	109.1°	109.5°
C2	C3	C4	108.9°	109.5°
C2	C3	H10	109.6°	109.6°
C2	C3	H11	109.6°	109.5°
C3	C2	H15	108.9°	109.5°
C3	C2	H16	108.9°	109.5°
O	C	C1	109.7°	109.5°
O	C	C6	107.1°	109.5°
O	C	C5	110.5°	109.5°
C	O	H14	109.5°	114.0°
C1	C	C6	110.3°	109.5°
C1	C	C5	107.9°	109.5°
C	C1	H17	109.1°	109.5°
C	C1	H18	109.1°	109.5°
C6	C	C5	111.4°	109.5°
C	C6	N	108.8°	109.5°
C	C6	H6	109.6°	109.5°
C	C6	H7	109.6°	109.5°
C	C5	C4	111.8°	109.5°
C	C5	H4	108.9°	109.5°
C	C5	H5	108.9°	109.5°
C3	C4	C5	109.9°	109.5°
C3	C4	H1	109.4°	109.4°
C3	C4	H2	109.4°	109.5°
C4	C3	H10	109.6°	109.5°
C4	C3	H11	109.6°	109.4°
C6	N	C7	122.2°	120.0°
N	C6	H6	109.6°	109.4°
N	C6	H7	109.6°	109.4°
C6	N	H13	118.9°	120.0°
C5	C4	H1	109.4°	109.5°
C5	C4	H2	109.4°	109.5°
C4	C5	H4	108.9°	109.5°
C4	C5	H5	108.9°	109.5°
N	C7	O1	121.2°	120.0°
N	C7	C8	117.2°	120.0°
C7	N	H13	118.9°	120.0°
O1	C7	C8	121.5°	120.0°
C7	C8	O3	117.4°	118.4°
C7	C8	C9	122.3°	118.4°
C8	O3	C16	121.1°	121.2°
O3	C8	C9	120.3°	123.2°
O3	C16	C15	120.5°	120.5°
O3	C16	C11	120.7°	120.5°
C16	C15	C14	120.5°	120.1°
C15	C16	C11	118.7°	119.0°
C16	C15	H12	119.8°	120.0°
C15	C14	C13	119.8°	120.8°
C15	C14	H3	120.1°	119.6°
C14	C15	H12	119.8°	119.9°
C8	C9	C10	121.0°	118.1°
C8	C9	H8	119.5°	120.9°
C16	C11	C12	121.4°	120.5°
C16	C11	C10	118.4°	118.1°
C14	C13	F	119.8°	119.9°
C14	C13	C12	120.3°	120.1°
C13	C14	H3	120.1°	119.6°
C9	C10	C11	118.5°	115.7°
C9	C10	O2	122.6°	122.2°
C10	C9	H8	119.5°	121.0°
C12	C11	C10	120.1°	121.4°
C11	C12	C13	119.3°	119.5°
C11	C12	H9	120.4°	120.3°
C11	C10	O2	119.0°	122.1°
F	C13	C12	119.9°	120.0°
C13	C12	H9	120.4°	120.2°
H1	C4	H2	109.4°	109.4°
H4	C5	H5	109.5°	109.5°
H6	C6	H7	109.5°	109.5°
H10	C3	H11	109.5°	109.4°
H15	C2	H16	109.5°	109.4°
H17	C1	H18	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H15	120.3°	120.1°
C1	C2	C3	H16	120.3°	120.0°
C2	C1	C	O	62.8°	60.0°
C2	C1	C	H17	120.2°	120.0°
C2	C1	C	H18	120.2°	120.1°
C2	C1	C	C6	179.5°	180.0°
C2	C1	C	C5	57.6°	60.0°
C1	C2	C3	C4	57.2°	60.0°
C1	C2	C3	H10	62.8°	180.0°
C1	C2	C3	H11	177.1°	60.0°
C1	C2	H15	H16	119.1°	120.0°
C2	C1	H17	H18	119.3°	120.0°
C3	C2	C1	C	58.2°	60.0°
C2	C3	C4	H10	119.9°	120.1°
C2	C3	C4	H11	119.9°	120.0°
C2	C3	C4	C5	57.0°	59.9°
C2	C3	C4	H1	177.1°	60.0°
C2	C3	C4	H2	63.0°	180.0°
C2	C3	H10	H11	120.3°	120.0°
C3	C2	H15	H16	119.0°	119.9°
C3	C2	C1	H17	178.4°	60.0°
C3	C2	C1	H18	62.0°	179.9°
O	C	C1	C6	117.7°	120.0°
O	C	C1	C5	120.4°	120.0°
O	C	C6	C5	120.9°	120.0°
O	C	C6	N	63.7°	65.0°
O	C	C5	C4	60.8°	60.0°
O	C	C5	H4	59.6°	180.0°
O	C	C5	H5	178.9°	60.0°
O	C	C6	H6	56.2°	55.0°
O	C	C6	H7	176.4°	175.0°
O	C	C1	H17	57.4°	180.0°
O	C	C1	H18	177.0°	60.0°
C1	C	C6	C5	119.9°	120.0°
C1	C	C6	N	177.0°	55.0°
C1	C	C5	C4	59.1°	60.0°
C1	C	C5	H4	179.5°	60.0°
C1	C	C5	H5	61.2°	180.0°
C1	C	C6	H6	63.1°	175.0°
C1	C	C6	H7	57.1°	65.0°
C1	C	O	H14	180.0°	60.0°
C	C1	C2	H15	178.5°	60.1°
C	C1	C2	H16	62.1°	180.0°
C	C1	H17	H18	119.4°	120.0°
C	C6	N	H6	119.9°	120.0°
C	C6	N	H7	119.9°	120.1°
C6	C	C5	C4	179.6°	180.0°
C	C6	N	C7	118.9°	180.0°
C6	C	C5	H4	59.3°	60.0°
C6	C	C5	H5	60.0°	60.0°
C	C6	H6	H7	120.3°	120.1°
C	C6	N	H13	61.1°	0.0°
C6	C	O	H14	60.3°	60.0°
C6	C	C1	H17	60.2°	60.0°
C6	C	C1	H18	59.3°	60.0°
C	C5	C4	C3	60.3°	60.0°
C5	C	C6	N	57.2°	175.0°
C	C5	C4	H4	120.4°	120.0°
C	C5	C4	H5	120.4°	120.0°
C	C5	C4	H1	179.6°	60.0°
C	C5	C4	H2	59.7°	180.0°
C	C5	H4	H5	118.9°	120.0°
C5	C	C6	H6	177.0°	65.0°
C5	C	C6	H7	62.7°	55.0°
C5	C	O	H14	61.2°	180.0°
C5	C	C1	H17	177.8°	60.0°
C5	C	C1	H18	62.6°	180.0°
C3	C4	C5	H1	120.1°	119.9°
C3	C4	C5	H2	120.1°	120.1°
C3	C4	H1	H2	119.8°	120.0°
C3	C4	C5	H4	179.3°	60.0°
C3	C4	C5	H5	60.0°	180.0°
C4	C3	H10	H11	120.3°	119.9°
C4	C3	C2	H15	177.5°	60.1°
C4	C3	C2	H16	63.2°	180.0°
C6	N	C7	H13	180.0°	180.0°
C6	N	C7	O1	10.1°	0.1°
C6	N	C7	C8	166.3°	180.0°
N	C6	H6	H7	120.3°	119.9°
C5	C4	H1	H2	119.8°	120.0°
C4	C5	H4	H5	118.9°	120.0°
C5	C4	C3	H10	62.9°	180.0°
C5	C4	C3	H11	177.0°	60.0°
N	C7	O1	C8	176.3°	179.9°
N	C7	C8	O3	2.1°	0.1°
N	C7	C8	C9	179.0°	180.0°
C7	N	C6	H6	121.2°	60.0°
C7	N	C6	H7	0.9°	59.9°
O1	C7	C8	O3	174.3°	180.0°
O1	C7	C8	C9	4.5°	0.1°
O1	C7	N	H13	169.9°	180.0°
C7	C8	O3	C9	178.9°	179.9°
C7	C8	O3	C16	179.2°	164.2°
C7	C8	C9	C10	179.8°	179.4°
C7	C8	C9	H8	0.2°	1.0°
C8	C7	N	H13	13.7°	0.0°
C8	O3	C16	C15	179.8°	164.8°
C8	O3	C16	C11	0.1°	15.6°
O3	C8	C9	C10	1.0°	0.6°
O3	C8	C9	H8	179.0°	179.1°
O3	C16	C15	C11	179.9°	179.6°
O3	C16	C15	C14	179.9°	179.2°
C16	O3	C8	C9	0.3°	15.7°
O3	C16	C11	C12	179.3°	178.8°
O3	C16	C11	C10	0.3°	0.8°
O3	C16	C15	H12	0.2°	0.8°
C16	C15	C14	H12	180.0°	180.0°
C16	C15	C14	C13	0.1°	0.1°
C15	C16	C11	C12	0.8°	0.8°
C15	C16	C11	C10	179.9°	179.6°
C16	C15	C14	H3	179.9°	179.8°
C14	C15	C16	C11	0.3°	0.4°
C15	C14	C13	H3	180.0°	179.7°
C15	C14	C13	F	179.6°	179.9°
C15	C14	C13	C12	0.5°	0.1°
C8	C9	C10	H8	180.0°	179.7°
C8	C9	C10	C11	1.3°	13.3°
C8	C9	C10	O2	178.8°	166.7°
C16	C11	C10	C9	0.9°	13.0°
C16	C11	C12	C10	179.1°	179.6°
C16	C11	C12	C13	1.2°	0.8°
C16	C11	C10	O2	179.1°	166.9°
C16	C11	C12	H9	178.8°	179.2°
C11	C16	C15	H12	179.7°	179.6°
C14	C13	C12	C11	1.0°	0.5°
C14	C13	F	C12	179.1°	180.0°
C14	C13	C12	H9	179.0°	179.5°
C13	C14	C15	H12	179.9°	179.9°
C9	C10	C11	C12	180.0°	167.4°
C9	C10	C11	O2	179.9°	180.0°
C11	C12	C13	F	179.9°	179.6°
C11	C12	C13	H9	180.0°	180.0°
C12	C11	C10	O2	0.1°	12.7°
C10	C11	C12	C13	179.8°	179.6°
C11	C10	C9	H8	178.7°	167.1°
C10	C11	C12	H9	0.2°	0.4°
F	C13	C14	H3	0.4°	0.2°
F	C13	C12	H9	0.1°	0.4°
C12	C13	C14	H3	179.5°	179.8°
O2	C10	C9	H8	1.2°	12.9°
H1	C4	C5	H4	59.2°	180.0°
H1	C4	C5	H5	60.0°	60.0°
H1	C4	C3	H10	57.2°	60.1°
H1	C4	C3	H11	63.0°	180.0°
H2	C4	C5	H4	60.6°	60.0°
H2	C4	C5	H5	179.9°	60.0°
H2	C4	C3	H10	177.1°	59.9°
H2	C4	C3	H11	56.9°	60.0°
H3	C14	C15	H12	0.2°	0.3°
H6	C6	N	H13	58.8°	120.0°
H7	C6	N	H13	179.0°	120.0°
H10	C3	C2	H15	57.6°	60.0°
H10	C3	C2	H16	176.9°	60.0°
H11	C3	C2	H15	62.6°	180.0°
H11	C3	C2	H16	56.8°	60.1°
H15	C2	C1	H17	61.3°	180.0°
H15	C2	C1	H18	58.3°	60.0°
H16	C2	C1	H17	58.1°	60.0°
H16	C2	C1	H18	177.7°	59.9°

Release date:	2019-04-03
Definition date:	2018-08-17
Last modified:	2019-03-29
Release status:	REL
Processing site:	EBI
Derived from:	6HCV