VHK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C14	sing	1.74Å	1.70Å
N3	C14	doub	1.32Å	1.31Å	Aromatic
N3	C13	sing	1.32Å	1.33Å	Aromatic
C14	C15	sing	1.40Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.37Å	Aromatic
C15	C16	sing	1.43Å	1.43Å
C15	C11	doub	1.41Å	1.34Å	Aromatic
C16	N4	trip	1.14Å	1.13Å
C12	C11	sing	1.39Å	1.39Å	Aromatic
C11	N2	sing	1.39Å	1.35Å
N2	C	sing	1.40Å	1.38Å
C	C1	sing	1.39Å	1.39Å	Aromatic
C	C5	doub	1.38Å	1.38Å	Aromatic
C1	C2	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.40Å	1.38Å	Aromatic
C10	C9	sing	1.53Å	1.48Å
N1	C9	sing	1.47Å	1.46Å
N1	C6	sing	1.38Å	1.39Å
C2	C3	sing	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.40Å	Aromatic
C4	C6	sing	1.47Å	1.47Å
C3	N	sing	1.38Å	1.38Å
C6	C7	doub	1.37Å	1.36Å
N	C8	sing	1.34Å	1.36Å
C7	C8	sing	1.40Å	1.44Å
C8	O	doub	1.22Å	1.23Å
C2	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
N1	H9	sing	0.97Å	1.00Å
C12	H10	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
N2	H12	sing	0.97Å	1.00Å
N	H13	sing	0.97Å	1.00Å
C1	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C14	N3	116.5°	119.7°
CL	C14	C15	118.3°	119.7°
C14	N3	C13	116.6°	122.1°
N3	C14	C15	125.1°	120.6°
N3	C13	C12	123.4°	121.2°
N3	C13	H11	118.3°	119.4°
C14	C15	C16	122.8°	120.6°
C14	C15	C11	117.0°	118.7°
C13	C12	C11	117.8°	119.3°
C13	C12	H10	121.1°	120.3°
C12	C13	H11	118.3°	119.4°
C16	C15	C11	120.2°	120.7°
C15	C16	N4	177.8°	180.0°
C15	C11	C12	120.1°	118.1°
C15	C11	N2	118.8°	120.9°
C12	C11	N2	121.0°	120.9°
C11	C12	H10	121.1°	120.4°
C11	N2	C	119.2°	120.0°
C11	N2	H12	120.4°	120.0°
N2	C	C1	124.9°	119.9°
N2	C	C5	115.0°	119.9°
C	N2	H12	120.4°	119.9°
C1	C	C5	120.1°	120.2°
C	C1	C2	120.2°	120.6°
C	C1	H14	119.9°	119.7°
C	C5	C4	120.3°	119.6°
C	C5	H8	119.9°	120.1°
C1	C2	C3	120.0°	120.0°
C1	C2	H1	120.0°	120.0°
C2	C1	H14	119.9°	119.7°
C5	C4	C3	119.6°	120.0°
C5	C4	C6	122.6°	121.1°
C4	C5	H8	119.8°	120.2°
C10	C9	N1	112.4°	109.5°
C9	C10	H3	109.5°	109.5°
C9	C10	H4	109.5°	109.5°
C9	C10	H5	109.5°	109.5°
C10	C9	H6	108.8°	109.5°
C10	C9	H7	108.7°	109.5°
C9	N1	C6	122.2°	120.0°
N1	C9	H6	108.7°	109.5°
N1	C9	H7	108.8°	109.4°
C9	N1	H9	106.2°	120.0°
N1	C6	C4	115.4°	120.9°
N1	C6	C7	124.9°	120.8°
C6	N1	H9	106.2°	120.0°
C2	C3	C4	119.8°	119.6°
C2	C3	N	120.8°	120.8°
C3	C2	H1	120.0°	120.0°
C3	C4	C6	117.8°	118.9°
C4	C3	N	119.4°	119.6°
C4	C6	C7	119.7°	118.3°
C3	N	C8	124.9°	121.2°
C3	N	H13	117.5°	119.4°
C6	C7	C8	121.8°	120.1°
C6	C7	H2	119.1°	119.9°
N	C8	C7	116.3°	121.9°
N	C8	O	120.0°	119.1°
C8	N	H13	117.6°	119.4°
C7	C8	O	123.7°	119.0°
C8	C7	H2	119.1°	120.0°
H3	C10	H4	109.5°	109.4°
H3	C10	H5	109.5°	109.4°
H4	C10	H5	109.5°	109.5°
H6	C9	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C14	N3	C15	179.4°	179.9°
CL	C14	N3	C13	179.2°	180.0°
CL	C14	C15	C16	2.1°	0.0°
CL	C14	C15	C11	178.8°	180.0°
C14	N3	C13	C12	0.2°	0.0°
N3	C14	C15	C16	178.5°	180.0°
N3	C14	C15	C11	0.6°	0.1°
C14	N3	C13	H11	179.8°	179.9°
C13	N3	C14	C15	0.2°	0.1°
N3	C13	C12	H11	180.0°	179.9°
N3	C13	C12	C11	0.1°	0.0°
N3	C13	C12	H10	179.9°	179.9°
C14	C15	C16	C11	179.0°	180.0°
C14	C15	C16	N4	3.6°	175.8°
C14	C15	C11	C12	0.6°	0.1°
C14	C15	C11	N2	179.6°	180.0°
C13	C12	C11	C15	0.3°	0.0°
C13	C12	C11	H10	180.0°	179.9°
C13	C12	C11	N2	179.9°	180.0°
C16	C15	C11	C12	178.5°	180.0°
C16	C15	C11	N2	1.3°	0.1°
C11	C15	C16	N4	175.5°	4.2°
C15	C11	C12	N2	179.8°	179.9°
C15	C11	N2	C	179.0°	172.6°
C15	C11	C12	H10	179.7°	179.9°
C15	C11	N2	H12	1.0°	7.4°
C12	C11	N2	C	0.8°	7.5°
C11	C12	C13	H11	179.9°	179.9°
C12	C11	N2	H12	179.2°	172.5°
C11	N2	C	H12	180.0°	180.0°
C11	N2	C	C1	64.9°	138.5°
C11	N2	C	C5	114.0°	41.9°
N2	C11	C12	H10	0.1°	0.0°
N2	C	C1	C5	178.9°	179.6°
N2	C	C1	C2	178.6°	180.0°
N2	C	C5	C4	178.5°	179.7°
N2	C	C5	H8	1.5°	0.2°
N2	C	C1	H14	1.4°	0.1°
C	C1	C2	H14	180.0°	180.0°
C1	C	C5	C4	0.5°	0.7°
C	C1	C2	C3	0.0°	0.0°
C	C1	C2	H1	180.0°	179.8°
C1	C	C5	H8	179.5°	179.8°
C1	C	N2	H12	115.1°	41.5°
C5	C	C1	C2	0.3°	0.5°
C	C5	C4	H8	180.0°	179.5°
C	C5	C4	C3	0.4°	0.5°
C	C5	C4	C6	178.8°	179.5°
C5	C	N2	H12	66.0°	138.0°
C5	C	C1	H14	179.7°	179.5°
C1	C2	C3	H1	180.0°	179.7°
C1	C2	C3	C4	0.1°	0.3°
C1	C2	C3	N	179.6°	179.8°
C5	C4	C6	N1	2.0°	0.0°
C5	C4	C3	C2	0.1°	0.0°
C5	C4	C3	C6	179.2°	180.0°
C5	C4	C3	N	179.8°	180.0°
C5	C4	C6	C7	178.2°	180.0°
C10	C9	N1	H6	120.4°	120.0°
C10	C9	N1	H7	120.4°	120.0°
C10	C9	N1	C6	178.7°	180.0°
C9	C10	H3	H4	120.0°	120.0°
C9	C10	H3	H5	120.0°	120.0°
C9	C10	H4	H5	120.0°	120.0°
C10	C9	H6	H7	118.7°	120.0°
C10	C9	N1	H9	56.9°	0.0°
C9	N1	C6	H9	121.8°	180.0°
C9	N1	C6	C4	179.9°	180.0°
C9	N1	C6	C7	0.1°	0.0°
N1	C9	C10	H3	180.0°	180.0°
N1	C9	C10	H4	60.0°	60.0°
N1	C9	C10	H5	60.0°	60.0°
N1	C9	H6	H7	118.7°	120.0°
N1	C6	C4	C3	177.2°	180.0°
N1	C6	C4	C7	179.8°	180.0°
N1	C6	C7	C8	176.2°	180.0°
N1	C6	C7	H2	3.8°	0.1°
C6	N1	C9	H6	60.9°	60.0°
C6	N1	C9	H7	58.3°	60.0°
C2	C3	C4	N	179.7°	180.0°
C2	C3	C4	C6	179.1°	180.0°
C2	C3	N	C8	179.9°	180.0°
C2	C3	N	H13	0.1°	0.1°
C3	C2	C1	H14	180.0°	180.0°
C3	C4	C6	C7	2.6°	0.0°
C4	C3	N	C8	0.4°	0.0°
C4	C3	C2	H1	179.9°	180.0°
C3	C4	C5	H8	179.6°	180.0°
C4	C3	N	H13	179.6°	179.9°
C6	C4	C3	N	0.6°	0.0°
C4	C6	C7	C8	3.6°	0.0°
C4	C6	C7	H2	176.4°	180.0°
C6	C4	C5	H8	1.2°	0.0°
C4	C6	N1	H9	58.3°	0.0°
C3	N	C8	H13	180.0°	179.9°
C3	N	C8	C7	0.5°	0.0°
C3	N	C8	O	179.2°	179.9°
N	C3	C2	H1	0.4°	0.0°
C6	C7	C8	N	2.5°	0.0°
C6	C7	C8	H2	180.0°	180.0°
C6	C7	C8	O	177.1°	180.0°
C7	C6	N1	H9	121.9°	180.0°
N	C8	C7	O	179.7°	180.0°
N	C8	C7	H2	177.5°	180.0°
C7	C8	N	H13	179.5°	179.9°
O	C8	C7	H2	2.8°	0.1°
O	C8	N	H13	0.8°	0.0°
H1	C2	C1	H14	0.0°	0.3°
H3	C10	H4	H5	120.0°	119.9°
H3	C10	C9	H6	59.6°	60.0°
H3	C10	C9	H7	59.6°	60.0°
H4	C10	C9	H6	60.4°	60.0°
H4	C10	C9	H7	179.6°	NaN°
H5	C10	C9	H6	179.6°	180.0°
H5	C10	C9	H7	60.4°	60.0°
H6	C9	N1	H9	177.4°	120.0°
H7	C9	N1	H9	63.5°	120.0°
H10	C12	C13	H11	0.1°	0.1°

Release date:	2021-12-08
Definition date:	2021-05-18
Last modified:	2021-12-03
Release status:	REL
Processing site:	PDBE
Derived from:	7OKH