WGV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C	sing	1.47Å	1.47Å
C2	C1	trip	1.17Å	1.18Å
C3	C2	sing	1.43Å	1.42Å
C3	C4	sing	1.39Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C8	C3	doub	1.40Å	1.40Å	Aromatic
C	N	sing	1.47Å	1.49Å
N	C9	sing	1.47Å	1.52Å
C9	C10	sing	1.53Å	1.52Å
C10	C11	sing	1.53Å	1.54Å
C11	C12	sing	1.53Å	1.50Å
C12	C13	sing	1.53Å	1.53Å
N	C13	sing	1.47Å	1.51Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	176.1°	179.9°
C1	C	N	113.3°	109.5°
C1	C	H1	108.5°	109.4°
C1	C	H	108.5°	109.5°
C1	C2	C3	178.8°	180.0°
C2	C3	C4	120.2°	120.2°
C2	C3	C8	119.5°	120.2°
C3	C4	C5	119.2°	119.9°
C4	C3	C8	120.2°	119.7°
C3	C4	H2	120.4°	120.1°
C4	C5	C6	120.1°	120.2°
C5	C4	H2	120.4°	120.1°
C4	C5	H3	119.9°	120.0°
C5	C6	C7	120.3°	120.2°
C6	C5	H3	119.9°	119.9°
C5	C6	H4	119.8°	119.9°
C6	C7	C8	120.3°	120.2°
C7	C6	H4	119.9°	119.9°
C6	C7	H5	119.9°	119.9°
C7	C8	C3	119.8°	119.9°
C8	C7	H5	119.8°	119.9°
C7	C8	H6	120.1°	120.1°
C3	C8	H6	120.1°	120.0°
C	N	C9	114.0°	111.0°
C	N	C13	112.9°	111.0°
N	C	H1	108.5°	109.5°
N	C	H	108.5°	109.5°
N	C9	C10	106.0°	109.5°
C9	N	C13	110.3°	111.2°
N	C9	H8	110.3°	109.5°
N	C9	H7	110.3°	109.5°
C9	C10	C11	106.3°	109.3°
C9	C10	H10	110.3°	109.5°
C9	C10	H9	110.3°	109.5°
C10	C9	H8	110.3°	109.4°
C10	C9	H7	110.3°	109.5°
C10	C11	C12	109.9°	109.1°
C11	C10	H10	110.3°	109.5°
C11	C10	H9	110.3°	109.5°
C10	C11	H11	109.4°	109.5°
C10	C11	H12	109.3°	109.5°
C11	C12	C13	110.8°	109.3°
C12	C11	H11	109.4°	109.5°
C12	C11	H12	109.3°	109.5°
C11	C12	H14	109.1°	109.5°
C11	C12	H13	109.1°	109.5°
C12	C13	N	108.8°	109.5°
C12	C13	H15	109.6°	109.5°
C12	C13	H16	109.7°	109.4°
C13	C12	H14	109.1°	109.5°
C13	C12	H13	109.1°	109.5°
N	C13	H15	109.7°	109.5°
N	C13	H16	109.6°	109.5°
H10	C10	H9	109.4°	109.5°
H15	C13	H16	109.5°	109.5°
H1	C	H	109.5°	109.5°
H11	C11	H12	109.5°	109.6°
H14	C12	H13	109.5°	109.6°
H8	C9	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	C3	4.3°	179.1°
C1	C	N	H1	120.5°	119.9°
C1	C	N	H	120.6°	120.0°
C1	C	N	C9	51.2°	170.0°
C1	C	N	C13	178.2°	65.8°
C1	C	H1	H	118.3°	120.0°
C1	C2	C3	C4	126.7°	105.1°
C1	C2	C3	C8	50.9°	75.5°
C2	C1	C	N	36.0°	76.4°
C2	C1	C	H1	84.6°	163.6°
C2	C1	C	H	156.6°	43.7°
C2	C3	C4	C8	177.5°	179.4°
C2	C3	C4	C5	176.9°	180.0°
C2	C3	C8	C7	176.3°	180.0°
C2	C3	C4	H2	3.1°	0.3°
C2	C3	C8	H6	3.7°	0.3°
C3	C4	C5	H2	180.0°	179.7°
C3	C4	C5	C6	0.3°	0.3°
C4	C3	C8	C7	1.2°	0.6°
C3	C4	C5	H3	179.7°	179.7°
C4	C3	C8	H6	178.8°	179.7°
C4	C5	C6	H3	180.0°	180.0°
C4	C5	C6	C7	0.5°	0.0°
C5	C4	C3	C8	0.6°	0.6°
C4	C5	C6	H4	179.5°	179.9°
C5	C6	C7	H4	180.0°	179.9°
C5	C6	C7	C8	0.1°	0.0°
C6	C5	C4	H2	179.7°	180.0°
C5	C6	C7	H5	179.9°	180.0°
C6	C7	C8	H5	180.0°	180.0°
C6	C7	C8	C3	1.0°	0.3°
C7	C6	C5	H3	179.4°	180.0°
C6	C7	C8	H6	179.1°	180.0°
C7	C8	C3	H6	180.0°	179.7°
C8	C7	C6	H4	179.9°	179.9°
C8	C3	C4	H2	179.4°	179.7°
C3	C8	C7	H5	179.1°	179.7°
C	N	C9	C13	128.3°	124.1°
C	N	C9	C10	165.3°	174.2°
C	N	C13	C12	171.4°	174.2°
C	N	C13	H15	51.5°	65.8°
C	N	C13	H16	68.7°	54.2°
N	C	H1	H	118.2°	120.1°
C	N	C9	H8	45.8°	65.8°
C	N	C9	H7	75.3°	54.2°
N	C9	C10	H8	119.4°	120.0°
N	C9	C10	H7	119.4°	120.0°
N	C9	C10	C11	66.3°	59.2°
C9	N	C13	C12	59.7°	61.8°
N	C9	C10	H10	53.2°	179.1°
N	C9	C10	H9	174.2°	60.8°
C9	N	C13	H15	179.6°	58.2°
C9	N	C13	H16	60.2°	178.3°
C9	N	C	H1	69.3°	70.0°
C9	N	C	H	171.8°	50.0°
N	C9	H8	H7	121.6°	120.0°
C9	C10	C11	H10	119.5°	119.9°
C9	C10	C11	H9	119.5°	120.0°
C9	C10	C11	C12	63.8°	57.7°
C10	C9	N	C13	66.4°	61.8°
C9	C10	H10	H9	121.4°	120.1°
C9	C10	C11	H11	176.1°	177.6°
C9	C10	C11	H12	56.2°	62.2°
C10	C9	H8	H7	121.6°	120.0°
C10	C11	C12	H11	120.1°	119.9°
C10	C11	C12	H12	120.1°	119.9°
C10	C11	C12	C13	58.1°	57.7°
C11	C10	H10	H9	121.5°	120.1°
C10	C11	H11	H12	119.8°	120.2°
C10	C11	C12	H14	62.1°	177.6°
C10	C11	C12	H13	178.3°	62.3°
C11	C10	C9	H8	174.2°	60.8°
C11	C10	C9	H7	53.1°	179.2°
C11	C12	C13	H14	120.2°	119.9°
C11	C12	C13	H13	120.2°	119.9°
C11	C12	C13	N	55.0°	59.2°
C12	C11	C10	H10	55.7°	177.6°
C12	C11	C10	H9	176.6°	62.3°
C11	C12	C13	H15	174.9°	60.8°
C11	C12	C13	H16	64.9°	179.2°
C12	C11	H11	H12	119.8°	120.2°
C11	C12	H14	H13	119.4°	120.1°
C12	C13	N	H15	119.9°	120.0°
C12	C13	N	H16	119.9°	119.9°
C12	C13	H15	H16	120.3°	119.9°
C13	C12	C11	H11	178.2°	177.6°
C13	C12	C11	H12	62.0°	62.2°
C13	C12	H14	H13	119.4°	120.1°
N	C13	H15	H16	120.3°	120.0°
C13	N	C	H1	57.6°	54.2°
C13	N	C	H	61.2°	174.2°
N	C13	C12	H14	65.2°	179.1°
N	C13	C12	H13	175.2°	60.7°
C13	N	C9	H8	174.1°	58.2°
C13	N	C9	H7	53.0°	178.2°
H2	C4	C5	H3	0.3°	0.0°
H3	C5	C6	H4	0.6°	0.1°
H4	C6	C7	H5	0.1°	0.1°
H5	C7	C8	H6	0.9°	0.0°
H10	C10	C11	H11	64.4°	62.5°
H10	C10	C11	H12	175.7°	57.7°
H10	C10	C9	H8	66.2°	59.1°
H10	C10	C9	H7	172.6°	60.8°
H9	C10	C11	H11	56.6°	57.6°
H9	C10	C11	H12	63.3°	177.8°
H9	C10	C9	H8	54.7°	179.2°
H9	C10	C9	H7	66.4°	59.2°
H15	C13	C12	H14	54.7°	59.1°
H15	C13	C12	H13	64.9°	179.3°
H16	C13	C12	H14	174.9°	60.9°
H16	C13	C12	H13	55.3°	59.3°
H11	C11	C12	H14	58.0°	62.5°
H11	C11	C12	H13	61.7°	57.6°
H12	C11	C12	H14	177.8°	57.7°
H12	C11	C12	H13	58.2°	177.8°

Release date:	2020-11-11
Definition date:	2020-10-30
Last modified:	2020-11-06
Release status:	REL
Processing site:	RCSB
Derived from:	5RYY