VWU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C14	doub	1.38Å	1.38Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C14	C9	sing	1.38Å	1.39Å	Aromatic
CL3	C16	sing	1.74Å	1.73Å
O2	C12	doub	1.21Å	1.24Å
C16	C7	doub	1.39Å	1.39Å	Aromatic
C11	C10	sing	1.53Å	1.50Å
C11	N2	sing	1.47Å	1.45Å
C9	C10	sing	1.51Å	1.51Å
C9	C8	doub	1.38Å	1.39Å	Aromatic
C12	N2	sing	1.35Å	1.33Å
C12	C13	sing	1.51Å	1.52Å
C7	C8	sing	1.39Å	1.39Å	Aromatic
C7	O1	sing	1.36Å	1.38Å
C13	CL2	sing	1.80Å	1.77Å
O1	C6	sing	1.36Å	1.39Å
C6	C5	doub	1.39Å	1.39Å	Aromatic
C6	C17	sing	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.38Å	Aromatic
C17	C2	doub	1.39Å	1.39Å	Aromatic
C4	CL1	sing	1.74Å	1.74Å
C4	C3	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.43Å	1.44Å
C1	N1	trip	1.14Å	1.14Å
C3	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
N2	H4	sing	0.97Å	1.00Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C17	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C15	C16	118.7°	120.1°
C15	C14	C9	121.5°	120.1°
C15	C14	H11	119.3°	120.0°
C14	C15	H12	120.6°	120.0°
C15	C16	CL3	119.5°	120.1°
C15	C16	C7	121.3°	119.9°
C16	C15	H12	120.6°	119.9°
C14	C9	C10	120.9°	119.9°
C14	C9	C8	118.9°	120.1°
C9	C14	H11	119.2°	119.9°
CL3	C16	C7	119.2°	120.0°
O2	C12	N2	123.0°	120.0°
O2	C12	C13	119.3°	119.9°
C16	C7	C8	119.1°	119.9°
C16	C7	O1	115.7°	120.1°
C10	C11	N2	111.7°	109.5°
C11	C10	C9	111.9°	109.5°
C11	C10	H5	108.9°	109.5°
C11	C10	H6	108.9°	109.5°
C10	C11	H7	108.9°	109.5°
C10	C11	H8	108.9°	109.5°
C11	N2	C12	122.5°	120.0°
C11	N2	H4	118.7°	120.0°
N2	C11	H7	108.9°	109.4°
N2	C11	H8	108.9°	109.5°
C10	C9	C8	120.1°	120.0°
C9	C10	H5	108.9°	109.4°
C9	C10	H6	108.9°	109.5°
C9	C8	C7	120.3°	119.9°
C9	C8	H3	119.8°	120.0°
N2	C12	C13	117.7°	120.1°
C12	N2	H4	118.7°	120.0°
C12	C13	CL2	117.1°	109.5°
C12	C13	H9	107.5°	109.4°
C12	C13	H10	107.6°	109.5°
C8	C7	O1	125.1°	120.0°
C7	C8	H3	119.9°	120.0°
C7	O1	C6	123.0°	118.0°
CL2	C13	H9	107.5°	109.5°
CL2	C13	H10	107.5°	109.5°
O1	C6	C5	125.4°	119.9°
O1	C6	C17	114.9°	120.1°
C5	C6	C17	119.7°	120.0°
C6	C5	C4	119.0°	120.2°
C6	C5	H2	120.5°	119.9°
C6	C17	C2	121.5°	119.8°
C6	C17	H13	119.2°	120.1°
C5	C4	CL1	119.0°	119.9°
C5	C4	C3	121.7°	120.2°
C4	C5	H2	120.5°	119.9°
C17	C2	C3	118.5°	119.8°
C17	C2	C1	122.4°	120.1°
C2	C17	H13	119.3°	120.1°
CL1	C4	C3	119.3°	119.9°
C4	C3	C2	119.5°	119.9°
C4	C3	H1	120.2°	120.1°
C3	C2	C1	119.0°	120.1°
C2	C3	H1	120.3°	120.0°
C2	C1	N1	171.9°	180.0°
H5	C10	H6	109.5°	109.4°
H7	C11	H8	109.5°	109.4°
H9	C13	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C15	C16	H12	180.0°	179.6°
C15	C14	C9	H11	180.0°	180.0°
C14	C15	C16	CL3	179.9°	179.7°
C14	C15	C16	C7	0.9°	0.3°
C15	C14	C9	C10	179.9°	180.0°
C15	C14	C9	C8	1.1°	0.0°
C16	C15	C14	C9	0.2°	0.3°
C15	C16	CL3	C7	179.3°	179.9°
C15	C16	C7	C8	3.2°	0.1°
C15	C16	C7	O1	179.5°	180.0°
C16	C15	C14	H11	179.8°	179.7°
C14	C9	C10	C11	80.8°	90.0°
C14	C9	C10	C8	179.0°	180.0°
C14	C9	C8	C7	3.4°	0.2°
C14	C9	C8	H3	176.5°	180.0°
C14	C9	C10	H5	39.6°	30.0°
C14	C9	C10	H6	158.9°	150.0°
C9	C14	C15	H12	179.8°	179.9°
CL3	C16	C7	C8	177.5°	180.0°
CL3	C16	C7	O1	1.3°	0.0°
CL3	C16	C15	H12	0.1°	0.1°
O2	C12	N2	C11	0.2°	0.1°
O2	C12	N2	C13	179.0°	180.0°
O2	C12	C13	CL2	146.9°	0.0°
O2	C12	N2	H4	179.9°	180.0°
O2	C12	C13	H9	25.8°	120.0°
O2	C12	C13	H10	92.0°	120.1°
C16	C7	C8	C9	4.5°	0.2°
C16	C7	C8	O1	175.9°	180.0°
C16	C7	O1	C6	130.3°	173.7°
C16	C7	C8	H3	175.5°	179.9°
C7	C16	C15	H12	179.1°	180.0°
C10	C11	N2	H7	120.4°	120.0°
C10	C11	N2	H8	120.3°	120.0°
C11	C10	C9	H5	120.4°	120.0°
C11	C10	C9	H6	120.4°	120.0°
C11	C10	C9	C8	100.2°	90.0°
C10	C11	N2	C12	156.7°	180.0°
C10	C11	N2	H4	23.3°	0.0°
C11	C10	H5	H6	118.9°	120.0°
C10	C11	H7	H8	118.9°	120.0°
N2	C11	C10	C9	54.7°	180.0°
C11	N2	C12	H4	180.0°	180.0°
C11	N2	C12	C13	179.1°	180.0°
N2	C11	C10	H5	175.1°	60.0°
N2	C11	C10	H6	65.6°	60.0°
N2	C11	H7	H8	119.0°	120.0°
C10	C9	C8	C7	177.5°	179.8°
C10	C9	C8	H3	2.5°	0.1°
C9	C10	H5	H6	118.9°	120.0°
C9	C10	C11	H7	175.1°	60.0°
C9	C10	C11	H8	65.6°	60.0°
C10	C9	C14	H11	0.1°	0.0°
C9	C8	C7	H3	180.0°	179.7°
C9	C8	C7	O1	179.6°	179.7°
C8	C9	C10	H5	139.4°	150.0°
C8	C9	C10	H6	20.1°	30.0°
C8	C9	C14	H11	178.9°	180.0°
N2	C12	C13	CL2	34.1°	180.0°
C12	N2	C11	H7	82.9°	60.0°
C12	N2	C11	H8	36.4°	59.9°
N2	C12	C13	H9	155.2°	60.0°
N2	C12	C13	H10	87.0°	60.0°
C12	C13	CL2	H9	121.1°	120.0°
C12	C13	CL2	H10	121.1°	120.1°
C13	C12	N2	H4	0.9°	0.0°
C12	C13	H9	H10	116.5°	119.9°
C8	C7	O1	C6	45.7°	6.3°
C7	O1	C6	C5	28.3°	112.4°
C7	O1	C6	C17	150.0°	67.9°
O1	C7	C8	H3	0.4°	0.0°
CL2	C13	H9	H10	116.5°	120.0°
O1	C6	C5	C17	178.2°	179.7°
O1	C6	C5	C4	178.7°	180.0°
O1	C6	C17	C2	179.4°	179.7°
O1	C6	C5	H2	1.3°	0.1°
O1	C6	C17	H13	0.6°	0.2°
C6	C5	C4	H2	180.0°	180.0°
C5	C6	C17	C2	1.1°	0.6°
C6	C5	C4	CL1	178.4°	180.0°
C6	C5	C4	C3	3.1°	0.0°
C5	C6	C17	H13	178.9°	180.0°
C17	C6	C5	C4	3.1°	0.3°
C6	C17	C2	H13	180.0°	179.4°
C6	C17	C2	C3	1.1°	0.6°
C6	C17	C2	C1	177.5°	179.8°
C17	C6	C5	H2	176.9°	179.7°
C5	C4	CL1	C3	178.5°	180.0°
C5	C4	C3	C2	0.9°	0.1°
C5	C4	C3	H1	179.1°	179.9°
C17	C2	C3	C4	1.2°	0.3°
C17	C2	C3	C1	176.5°	179.7°
C17	C2	C1	N1	62.3°	125.0°
C17	C2	C3	H1	178.8°	179.8°
CL1	C4	C3	C2	179.4°	180.0°
CL1	C4	C3	H1	0.6°	0.1°
CL1	C4	C5	H2	1.6°	0.1°
C4	C3	C2	H1	180.0°	179.9°
C4	C3	C2	C1	177.7°	180.0°
C3	C4	C5	H2	176.9°	179.9°
C3	C2	C1	N1	121.3°	55.4°
C3	C2	C17	H13	178.9°	180.0°
C1	C2	C3	H1	2.3°	0.1°
C1	C2	C17	H13	2.5°	0.3°
H4	N2	C11	H7	97.1°	120.0°
H4	N2	C11	H8	143.6°	120.0°
H5	C10	C11	H7	64.5°	180.0°
H5	C10	C11	H8	54.8°	60.0°
H6	C10	C11	H7	54.8°	60.0°
H6	C10	C11	H8	174.1°	180.0°
H11	C14	C15	H12	0.2°	0.1°

Release date:	2023-11-08
Definition date:	2023-09-19
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	8U6C