VYU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.53Å	1.55Å
C2	N	sing	1.47Å	1.54Å
C3	N1	sing	1.47Å	1.48Å
C7	C8	doub	1.38Å	1.37Å	Aromatic
C7	C6	sing	1.39Å	1.39Å	Aromatic
C	C1	sing	1.53Å	1.52Å
C8	C9	sing	1.39Å	1.40Å	Aromatic
C1	N	sing	1.47Å	1.54Å
N1	C6	sing	1.40Å	1.44Å
N1	C4	sing	1.47Å	1.50Å
N	C5	sing	1.47Å	1.53Å
C6	C11	doub	1.39Å	1.39Å	Aromatic
C9	N2	sing	1.40Å	1.37Å
C9	C10	doub	1.39Å	1.41Å	Aromatic
C5	C4	sing	1.53Å	1.54Å
C11	C10	sing	1.38Å	1.37Å	Aromatic
C7	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
N2	H3	sing	0.97Å	1.00Å
N2	H4	sing	0.97Å	1.00Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.08Å	1.08Å
C11	H16	sing	1.08Å	1.08Å
C	H18	sing	1.09Å	1.10Å
C	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	N	110.9°	109.4°
C2	C3	N1	105.4°	109.4°
C2	C3	H11	110.5°	109.5°
C2	C3	H12	110.5°	109.5°
C3	C2	H13	109.1°	109.5°
C3	C2	H14	109.1°	109.5°
C2	N	C1	107.2°	110.9°
C2	N	C5	110.8°	110.9°
N	C2	H13	109.1°	109.5°
N	C2	H14	109.1°	109.5°
C3	N1	C6	116.0°	111.0°
C3	N1	C4	114.0°	110.9°
N1	C3	H11	110.4°	109.5°
N1	C3	H12	110.5°	109.5°
C8	C7	C6	120.3°	120.0°
C7	C8	C9	120.2°	120.0°
C8	C7	H1	119.8°	120.0°
C7	C8	H2	119.9°	120.0°
C7	C6	N1	124.1°	120.0°
C7	C6	C11	120.0°	120.0°
C6	C7	H1	119.9°	120.0°
C	C1	N	110.9°	109.4°
C	C1	H5	109.1°	109.5°
C	C1	H6	109.1°	109.5°
C1	C	H18	109.5°	109.4°
C1	C	H19	109.5°	109.5°
C1	C	H20	109.5°	109.5°
C8	C9	N2	120.4°	120.0°
C8	C9	C10	119.2°	120.0°
C9	C8	H2	119.9°	120.0°
C1	N	C5	111.3°	111.0°
N	C1	H5	109.1°	109.5°
N	C1	H6	109.1°	109.4°
C6	N1	C4	113.7°	111.0°
N1	C6	C11	115.9°	120.0°
N1	C4	C5	109.9°	109.4°
N1	C4	H9	109.4°	109.5°
N1	C4	H10	109.4°	109.6°
N	C5	C4	108.9°	109.4°
N	C5	H7	109.6°	109.5°
N	C5	H8	109.6°	109.5°
C6	C11	C10	120.5°	120.0°
C6	C11	H16	119.8°	120.0°
N2	C9	C10	120.3°	120.0°
C9	N2	H3	109.5°	120.0°
C9	N2	H4	109.5°	120.0°
C9	C10	C11	119.8°	120.0°
C9	C10	H15	120.1°	120.0°
C4	C5	H7	109.6°	109.5°
C4	C5	H8	109.6°	109.5°
C5	C4	H9	109.3°	109.5°
C5	C4	H10	109.4°	109.5°
C11	C10	H15	120.1°	120.0°
C10	C11	H16	119.8°	120.0°
H3	N2	H4	109.4°	120.0°
H5	C1	H6	109.5°	109.5°
H7	C5	H8	109.5°	109.5°
H9	C4	H10	109.4°	109.5°
H11	C3	H12	109.5°	109.5°
H13	C2	H14	109.5°	109.5°
H18	C	H19	109.5°	109.5°
H18	C	H20	109.4°	109.5°
H19	C	H20	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N	H13	120.2°	120.0°
C3	C2	N	H14	120.2°	120.0°
C2	C3	N1	H11	119.4°	119.9°
C2	C3	N1	H12	119.3°	120.0°
C3	C2	N	C1	119.7°	64.6°
C2	C3	N1	C6	163.2°	176.8°
C2	C3	N1	C4	61.9°	59.3°
C3	C2	N	C5	2.0°	59.3°
C2	C3	H11	H12	121.9°	120.1°
C3	C2	H13	H14	119.3°	120.1°
N	C2	C3	N1	59.6°	58.4°
C2	N	C1	C	81.9°	170.0°
C2	N	C1	C5	121.3°	123.8°
C2	N	C5	C4	55.3°	59.3°
C2	N	C1	H5	157.9°	50.0°
C2	N	C1	H6	38.3°	70.0°
C2	N	C5	H7	175.2°	179.2°
C2	N	C5	H8	64.6°	60.7°
N	C2	C3	H11	59.8°	178.4°
N	C2	C3	H12	178.9°	61.6°
N	C2	H13	H14	119.4°	120.0°
C3	N1	C6	C7	67.4°	56.2°
C3	N1	C6	C4	135.1°	123.8°
C3	N1	C6	C11	112.7°	123.8°
C3	N1	C4	C5	5.0°	59.3°
C3	N1	C4	H9	115.1°	60.6°
C3	N1	C4	H10	125.1°	179.3°
N1	C3	H11	H12	121.9°	120.0°
N1	C3	C2	H13	60.7°	61.6°
N1	C3	C2	H14	179.8°	178.4°
C8	C7	C6	H1	180.0°	179.7°
C7	C8	C9	H2	180.0°	179.9°
C8	C7	C6	N1	179.9°	180.0°
C8	C7	C6	C11	0.0°	0.0°
C7	C8	C9	N2	179.6°	180.0°
C7	C8	C9	C10	0.2°	0.1°
C6	C7	C8	C9	0.1°	0.1°
C7	C6	N1	C11	179.9°	180.0°
C7	C6	N1	C4	157.5°	180.0°
C7	C6	C11	C10	0.0°	0.0°
C6	C7	C8	H2	179.9°	180.0°
C7	C6	C11	H16	179.9°	179.9°
C	C1	N	H5	120.2°	120.1°
C	C1	N	H6	120.2°	119.9°
C	C1	N	C5	156.8°	66.2°
C	C1	H5	H6	119.4°	120.0°
C1	C	H18	H19	120.0°	120.0°
C1	C	H18	H20	120.0°	120.0°
C1	C	H19	H20	120.0°	120.1°
C8	C9	N2	C10	179.8°	179.9°
C8	C9	C10	C11	0.2°	0.0°
C9	C8	C7	H1	179.9°	179.8°
C8	C9	N2	H3	180.0°	0.1°
C8	C9	N2	H4	60.0°	180.0°
C8	C9	C10	H15	179.8°	179.9°
C1	N	C5	C4	174.5°	64.6°
N	C1	H5	H6	119.4°	120.0°
C1	N	C5	H7	65.6°	55.4°
C1	N	C5	H8	54.6°	175.5°
C1	N	C2	H13	120.1°	175.5°
C1	N	C2	H14	0.5°	55.4°
N	C1	C	H18	180.0°	179.9°
N	C1	C	H19	60.0°	60.0°
N	C1	C	H20	60.0°	60.1°
C6	N1	C4	C5	141.1°	176.8°
N1	C6	C11	C10	179.9°	180.0°
N1	C6	C7	H1	0.1°	0.3°
C6	N1	C4	H9	21.0°	63.3°
C6	N1	C4	H10	98.8°	56.8°
C6	N1	C3	H11	77.5°	56.9°
C6	N1	C3	H12	43.8°	63.2°
N1	C6	C11	H16	0.1°	0.0°
N1	C4	C5	N	54.7°	58.4°
C4	N1	C6	C11	22.4°	0.0°
N1	C4	C5	H9	120.1°	119.9°
N1	C4	C5	H10	120.1°	120.0°
N1	C4	C5	H7	174.6°	178.3°
N1	C4	C5	H8	65.2°	61.6°
N1	C4	H9	H10	119.8°	120.1°
C4	N1	C3	H11	57.5°	179.3°
C4	N1	C3	H12	178.8°	60.7°
N	C5	C4	H7	119.9°	120.0°
N	C5	C4	H8	119.9°	120.0°
C5	N	C1	H5	36.6°	173.8°
C5	N	C1	H6	83.0°	53.8°
N	C5	H7	H8	120.3°	120.1°
N	C5	C4	H9	174.8°	61.6°
N	C5	C4	H10	65.4°	178.4°
C5	N	C2	H13	118.2°	60.7°
C5	N	C2	H14	122.2°	179.3°
C6	C11	C10	C9	0.1°	0.0°
C6	C11	C10	H16	180.0°	179.9°
C11	C6	C7	H1	180.0°	179.7°
C6	C11	C10	H15	179.9°	180.0°
N2	C9	C10	C11	179.6°	180.0°
N2	C9	C8	H2	0.4°	0.1°
C9	N2	H3	H4	120.0°	180.0°
N2	C9	C10	H15	0.4°	0.0°
C9	C10	C11	H15	180.0°	180.0°
C10	C9	C8	H2	179.8°	180.0°
C10	C9	N2	H3	0.2°	180.0°
C10	C9	N2	H4	120.2°	0.0°
C9	C10	C11	H16	180.0°	179.9°
C4	C5	H7	H8	120.3°	120.0°
C5	C4	H9	H10	119.8°	120.0°
H1	C7	C8	H2	0.1°	0.3°
H5	C1	C	H18	59.8°	60.0°
H5	C1	C	H19	60.2°	180.0°
H5	C1	C	H20	179.8°	60.0°
H6	C1	C	H18	59.8°	60.0°
H6	C1	C	H19	179.8°	59.9°
H6	C1	C	H20	60.2°	180.0°
H7	C5	C4	H9	65.3°	58.4°
H7	C5	C4	H10	54.5°	61.6°
H8	C5	C4	H9	54.9°	178.5°
H8	C5	C4	H10	174.7°	58.4°
H11	C3	C2	H13	180.0°	58.4°
H11	C3	C2	H14	60.4°	61.7°
H12	C3	C2	H13	58.7°	178.5°
H12	C3	C2	H14	60.9°	58.4°
H15	C10	C11	H16	0.1°	0.1°
H18	C	H19	H20	119.9°	120.0°

Release date:	2022-11-02
Definition date:	2022-09-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	7FN9