VUC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C11	sing	1.80Å	1.78Å
C11	C10	sing	1.53Å	1.51Å
C10	N2	sing	1.46Å	1.47Å
N2	C12	sing	1.47Å	1.49Å
N2	C3	sing	1.40Å	1.36Å
C12	C13	sing	1.53Å	1.55Å
C3	C2	doub	1.39Å	1.41Å	Aromatic
C3	C4	sing	1.39Å	1.40Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
N1	C8	sing	1.47Å	1.48Å
C1	C6	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C13	CL2	sing	1.80Å	1.81Å
C6	C7	sing	1.51Å	1.50Å
C8	C7	sing	1.53Å	1.53Å
C8	C9	sing	1.51Å	1.53Å
C9	O2	doub	1.21Å	1.22Å
C9	O1	sing	1.34Å	1.24Å
C1	H1	sing	1.08Å	1.08Å
O1	H2	sing	0.97Å	0.95Å
C2	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
N1	H17	sing	1.01Å	1.00Å
N1	H18	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C11	C10	112.7°	109.5°
CL1	C11	H11	108.7°	109.5°
CL1	C11	H12	108.6°	109.4°
C11	C10	N2	118.3°	109.5°
C11	C10	H9	107.2°	109.5°
C11	C10	H10	107.2°	109.4°
C10	C11	H11	108.6°	109.5°
C10	C11	H12	108.6°	109.5°
C10	N2	C12	121.8°	120.0°
C10	N2	C3	118.4°	120.0°
N2	C10	H9	107.2°	109.5°
N2	C10	H10	107.2°	109.5°
C12	N2	C3	119.9°	119.9°
N2	C12	C13	116.7°	109.4°
N2	C12	H13	107.6°	109.4°
N2	C12	H14	107.7°	109.5°
N2	C3	C2	122.1°	120.1°
N2	C3	C4	120.1°	120.0°
C12	C13	CL2	118.3°	109.5°
C13	C12	H13	107.7°	109.4°
C13	C12	H14	107.6°	109.5°
C12	C13	H15	107.2°	109.5°
C12	C13	H16	107.2°	109.4°
C2	C3	C4	117.7°	119.9°
C3	C2	C1	120.6°	119.9°
C3	C2	H3	119.7°	120.1°
C3	C4	C5	120.7°	119.9°
C3	C4	H4	119.6°	120.1°
C2	C1	C6	121.0°	120.1°
C2	C1	H1	119.5°	120.0°
C1	C2	H3	119.7°	120.0°
C4	C5	C6	121.2°	120.1°
C5	C4	H4	119.7°	120.0°
C4	C5	H5	119.4°	120.0°
N1	C8	C7	113.2°	109.4°
N1	C8	C9	109.8°	109.5°
N1	C8	H8	109.5°	109.5°
C8	N1	H17	109.5°	111.0°
C8	N1	H18	109.4°	111.0°
C1	C6	C5	118.7°	120.1°
C1	C6	C7	120.9°	119.9°
C6	C1	H1	119.5°	119.9°
C5	C6	C7	120.4°	120.0°
C6	C5	H5	119.4°	120.0°
CL2	C13	H15	107.2°	109.5°
CL2	C13	H16	107.2°	109.5°
C6	C7	C8	117.3°	109.5°
C6	C7	H6	107.5°	109.5°
C6	C7	H7	107.5°	109.5°
C7	C8	C9	106.3°	109.5°
C8	C7	H6	107.5°	109.4°
C8	C7	H7	107.5°	109.4°
C7	C8	H8	108.9°	109.5°
C8	C9	O2	115.1°	120.0°
C8	C9	O1	118.9°	120.0°
C9	C8	H8	108.9°	109.5°
O2	C9	O1	126.0°	120.0°
C9	O1	H2	109.5°	117.0°
H6	C7	H7	109.4°	109.5°
H9	C10	H10	109.5°	109.5°
H11	C11	H12	109.5°	109.4°
H13	C12	H14	109.5°	109.5°
H15	C13	H16	109.5°	109.5°
H17	N1	H18	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C11	C10	H11	120.5°	120.0°
CL1	C11	C10	H12	120.5°	120.0°
CL1	C11	C10	N2	61.0°	180.0°
CL1	C11	C10	H9	177.8°	60.0°
CL1	C11	C10	H10	60.3°	60.0°
CL1	C11	H11	H12	118.5°	119.9°
C11	C10	N2	H9	121.3°	120.0°
C11	C10	N2	H10	121.2°	119.9°
C11	C10	N2	C12	10.9°	90.0°
C11	C10	N2	C3	171.1°	90.0°
C11	C10	H9	H10	116.0°	119.9°
C10	C11	H11	H12	118.5°	120.0°
C10	N2	C12	C3	178.0°	180.0°
C10	N2	C12	C13	157.7°	90.0°
C10	N2	C3	C2	104.5°	180.0°
C10	N2	C3	C4	78.3°	0.0°
N2	C10	H9	H10	116.0°	120.0°
N2	C10	C11	H11	59.5°	60.0°
N2	C10	C11	H12	178.5°	60.0°
C10	N2	C12	H13	81.3°	29.9°
C10	N2	C12	H14	36.6°	150.0°
N2	C12	C13	H13	121.0°	119.9°
N2	C12	C13	H14	121.1°	120.0°
C12	N2	C3	C2	77.5°	0.0°
C12	N2	C3	C4	99.8°	180.0°
N2	C12	C13	CL2	67.7°	180.0°
C12	N2	C10	H9	110.4°	30.0°
C12	N2	C10	H10	132.2°	150.1°
N2	C12	H13	H14	116.7°	120.0°
N2	C12	C13	H15	171.0°	60.0°
N2	C12	C13	H16	53.6°	60.1°
C3	N2	C12	C13	20.3°	90.0°
N2	C3	C2	C4	177.3°	179.9°
N2	C3	C2	C1	177.1°	180.0°
N2	C3	C4	C5	178.0°	180.0°
N2	C3	C2	H3	2.9°	0.1°
N2	C3	C4	H4	2.0°	0.1°
C3	N2	C10	H9	67.7°	150.0°
C3	N2	C10	H10	49.8°	29.9°
C3	N2	C12	H13	100.8°	150.1°
C3	N2	C12	H14	141.3°	30.0°
C12	C13	CL2	H15	121.3°	120.0°
C12	C13	CL2	H16	121.3°	119.9°
C13	C12	H13	H14	116.7°	120.0°
C12	C13	H15	H16	116.0°	120.0°
C3	C2	C1	H3	180.0°	179.9°
C2	C3	C4	C5	0.6°	0.1°
C3	C2	C1	C6	1.1°	0.0°
C3	C2	C1	H1	179.0°	179.8°
C2	C3	C4	H4	179.3°	180.0°
C4	C3	C2	C1	0.2°	0.1°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.7°	0.0°
C4	C3	C2	H3	179.8°	180.0°
C3	C4	C5	H5	179.4°	179.9°
C2	C1	C6	H1	180.0°	179.7°
C2	C1	C6	C5	1.0°	0.0°
C2	C1	C6	C7	180.0°	179.7°
C4	C5	C6	C1	0.2°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	179.1°	179.7°
N1	C8	C7	C6	63.8°	65.0°
N1	C8	C7	C9	120.7°	120.0°
N1	C8	C7	H8	122.1°	120.0°
N1	C8	C9	H8	119.9°	120.1°
N1	C8	C9	O2	132.3°	19.9°
N1	C8	C9	O1	48.8°	160.0°
N1	C8	C7	H6	175.1°	175.0°
N1	C8	C7	H7	57.3°	55.0°
C8	N1	H17	H18	120.0°	123.9°
C1	C6	C5	C7	178.9°	179.7°
C1	C6	C7	C8	86.5°	90.0°
C6	C1	C2	H3	179.0°	180.0°
C1	C6	C5	H5	179.8°	180.0°
C1	C6	C7	H6	34.7°	150.0°
C1	C6	C7	H7	152.4°	30.0°
C5	C6	C7	C8	94.6°	90.3°
C5	C6	C1	H1	179.0°	179.7°
C6	C5	C4	H4	179.3°	180.0°
C5	C6	C7	H6	144.2°	29.7°
C5	C6	C7	H7	26.5°	149.7°
CL2	C13	C12	H13	53.3°	60.0°
CL2	C13	C12	H14	171.2°	60.0°
CL2	C13	H15	H16	116.0°	120.0°
C6	C7	C8	H6	121.1°	120.0°
C6	C7	C8	H7	121.1°	120.1°
C6	C7	C8	C9	175.5°	175.0°
C7	C6	C1	H1	0.1°	0.0°
C7	C6	C5	H5	0.9°	0.3°
C6	C7	H6	H7	116.4°	120.0°
C6	C7	C8	H8	58.3°	55.0°
C7	C8	C9	H8	117.2°	120.0°
C7	C8	C9	O2	104.8°	100.0°
C7	C8	C9	O1	74.1°	80.1°
C8	C7	H6	H7	116.4°	120.0°
C7	C8	N1	H17	180.0°	176.1°
C7	C8	N1	H18	60.0°	60.1°
C8	C9	O2	O1	178.8°	179.9°
C8	C9	O1	H2	178.7°	180.0°
C9	C8	C7	H6	54.4°	55.0°
C9	C8	C7	H7	63.3°	65.0°
C9	C8	N1	H17	61.3°	64.0°
C9	C8	N1	H18	58.7°	59.9°
O2	C9	O1	H2	0.0°	0.1°
O2	C9	C8	H8	12.4°	140.0°
O1	C9	C8	H8	168.7°	39.9°
H1	C1	C2	H3	1.0°	0.3°
H4	C4	C5	H5	0.7°	0.0°
H6	C7	C8	H8	62.8°	65.0°
H7	C7	C8	H8	179.5°	175.0°
H8	C8	N1	H17	58.2°	56.1°
H8	C8	N1	H18	178.2°	180.0°
H9	C10	C11	H11	61.8°	60.1°
H9	C10	C11	H12	57.3°	180.0°
H10	C10	C11	H11	179.2°	179.9°
H10	C10	C11	H12	60.2°	60.0°
H13	C12	C13	H15	67.9°	60.0°
H13	C12	C13	H16	174.6°	180.0°
H14	C12	C13	H15	50.0°	180.0°
H14	C12	C13	H16	67.5°	60.0°

Release date:	2025-02-12
Definition date:	2023-08-18
Last modified:	2025-11-12
Release status:	REL
Processing site:	PDBJ
Derived from:	8KDO