VKB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C6	sing	1.36Å	1.36Å
C5	C6	doub	1.39Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C3	C8	sing	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.48Å	1.48Å
C1	C2	doub	1.39Å	1.40Å	Aromatic
C1	N1	sing	1.32Å	1.33Å	Aromatic
C2	N2	sing	1.33Å	1.35Å	Aromatic
N1	C	doub	1.33Å	1.35Å	Aromatic
N2	C9	doub	1.32Å	1.34Å	Aromatic
C	C9	sing	1.39Å	1.42Å	Aromatic
C	N	sing	1.39Å	1.34Å
C9	C10	sing	1.51Å	1.51Å
C10	C11	sing	1.51Å	1.52Å
C11	C16	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
N	H2	sing	0.97Å	1.00Å
N	H3	sing	0.97Å	1.00Å
O	H4	sing	0.97Å	0.95Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C4	H12	sing	1.08Å	1.08Å
C5	H13	sing	1.08Å	1.08Å
C7	H14	sing	1.08Å	1.08Å
C8	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C6	C5	120.0°	119.9°
O	C6	C7	120.3°	119.9°
C6	O	H4	109.5°	113.9°
C6	C5	C4	119.9°	120.0°
C5	C6	C7	119.8°	120.2°
C6	C5	H13	120.1°	120.0°
C5	C4	C3	121.4°	120.0°
C5	C4	H12	119.3°	120.0°
C4	C5	H13	120.1°	120.0°
C6	C7	C8	119.8°	120.0°
C6	C7	H14	120.1°	120.0°
C4	C3	C8	117.9°	119.8°
C4	C3	C2	120.9°	120.1°
C3	C4	H12	119.3°	120.0°
C7	C8	C3	121.3°	120.0°
C8	C7	H14	120.1°	120.0°
C7	C8	H15	119.3°	120.0°
C8	C3	C2	121.2°	120.1°
C3	C8	H15	119.4°	120.0°
C3	C2	C1	122.3°	120.0°
C3	C2	N2	117.4°	120.1°
C2	C1	N1	122.3°	120.0°
C1	C2	N2	120.3°	120.0°
C2	C1	H1	118.9°	120.1°
C1	N1	C	118.4°	120.0°
N1	C1	H1	118.9°	119.9°
C2	N2	C9	118.2°	120.0°
N1	C	C9	119.5°	120.0°
N1	C	N	118.7°	120.0°
N2	C9	C	121.3°	120.0°
N2	C9	C10	115.6°	120.0°
C9	C	N	121.7°	120.0°
C	C9	C10	123.0°	120.0°
C	N	H2	109.5°	120.0°
C	N	H3	109.5°	120.0°
C9	C10	C11	114.0°	109.5°
C9	C10	H5	108.3°	109.5°
C9	C10	H6	108.3°	109.5°
C10	C11	C16	120.9°	120.0°
C10	C11	C12	120.7°	120.0°
C11	C10	H5	108.4°	109.4°
C11	C10	H6	108.4°	109.5°
C16	C11	C12	118.4°	120.0°
C11	C16	C15	120.7°	120.0°
C11	C16	H11	119.6°	120.0°
C11	C12	C13	120.8°	120.0°
C11	C12	H7	119.6°	120.0°
C16	C15	C14	120.3°	120.0°
C16	C15	H10	119.9°	120.0°
C15	C16	H11	119.6°	120.0°
C12	C13	C14	120.2°	120.0°
C13	C12	H7	119.6°	120.0°
C12	C13	H8	119.9°	120.0°
C15	C14	C13	119.6°	120.0°
C15	C14	H9	120.2°	120.0°
C14	C15	H10	119.8°	120.0°
C14	C13	H8	119.9°	120.0°
C13	C14	H9	120.2°	120.0°
H2	N	H3	109.5°	120.0°
H5	C10	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C6	C5	C7	179.4°	179.9°
O	C6	C5	C4	179.0°	179.9°
O	C6	C7	C8	178.9°	180.0°
O	C6	C5	H13	1.0°	0.1°
O	C6	C7	H14	1.0°	0.0°
C6	C5	C4	H13	180.0°	180.0°
C6	C5	C4	C3	0.0°	0.0°
C5	C6	C7	C8	0.4°	0.1°
C5	C6	O	H4	180.0°	90.1°
C6	C5	C4	H12	180.0°	180.0°
C5	C6	C7	H14	179.6°	179.9°
C4	C5	C6	C7	0.4°	0.0°
C5	C4	C3	H12	180.0°	180.0°
C5	C4	C3	C8	0.3°	0.0°
C5	C4	C3	C2	178.8°	179.7°
C6	C7	C8	H14	180.0°	180.0°
C6	C7	C8	C3	0.1°	0.1°
C7	C6	O	H4	0.6°	90.0°
C7	C6	C5	H13	179.6°	180.0°
C6	C7	C8	H15	179.9°	179.7°
C4	C3	C8	C7	0.3°	0.0°
C4	C3	C8	C2	179.1°	179.7°
C4	C3	C2	C1	15.7°	174.7°
C4	C3	C2	N2	166.0°	5.3°
C3	C4	C5	H13	180.0°	180.0°
C4	C3	C8	H15	179.7°	179.7°
C7	C8	C3	H15	180.0°	179.7°
C7	C8	C3	C2	178.9°	179.8°
C8	C3	C2	C1	163.4°	5.0°
C8	C3	C2	N2	14.9°	175.0°
C8	C3	C4	H12	179.7°	180.0°
C3	C8	C7	H14	179.9°	179.9°
C3	C2	C1	N2	178.3°	180.0°
C3	C2	C1	N1	177.1°	180.0°
C3	C2	N2	C9	177.5°	180.0°
C3	C2	C1	H1	2.9°	0.3°
C2	C3	C4	H12	1.2°	0.3°
C2	C3	C8	H15	1.2°	0.0°
C2	C1	N1	H1	180.0°	179.7°
C2	C1	N1	C	0.0°	0.0°
C1	C2	N2	C9	0.8°	0.0°
N1	C1	C2	N2	1.2°	0.0°
C1	N1	C	C9	1.5°	0.0°
C1	N1	C	N	176.2°	180.0°
C2	N2	C9	C	0.6°	0.1°
C2	N2	C9	C10	179.6°	180.0°
N2	C2	C1	H1	178.8°	179.7°
N1	C	C9	N2	1.9°	0.1°
N1	C	C9	N	177.6°	179.9°
N1	C	C9	C10	178.4°	180.0°
C	N1	C1	H1	180.0°	179.7°
N1	C	N	H2	0.0°	0.1°
N1	C	N	H3	120.0°	179.9°
N2	C9	C	C10	179.8°	180.0°
N2	C9	C	N	175.7°	180.0°
N2	C9	C10	C11	127.9°	90.0°
N2	C9	C10	H5	7.2°	150.0°
N2	C9	C10	H6	111.4°	30.0°
C	C9	C10	C11	52.3°	90.0°
C9	C	N	H2	177.6°	180.0°
C9	C	N	H3	62.4°	0.1°
C	C9	C10	H5	173.0°	29.9°
C	C9	C10	H6	68.4°	150.0°
N	C	C9	C10	4.1°	0.1°
C	N	H2	H3	120.0°	179.9°
C9	C10	C11	H5	120.6°	120.0°
C9	C10	C11	H6	120.7°	120.0°
C9	C10	C11	C16	43.1°	90.0°
C9	C10	C11	C12	138.3°	89.8°
C9	C10	H5	H6	117.9°	120.0°
C10	C11	C16	C12	178.6°	179.7°
C10	C11	C16	C15	178.1°	179.8°
C10	C11	C12	C13	178.0°	180.0°
C11	C10	H5	H6	118.0°	120.0°
C10	C11	C12	H7	1.9°	0.0°
C10	C11	C16	H11	1.9°	0.0°
C11	C16	C15	H11	180.0°	179.7°
C16	C11	C12	C13	0.6°	0.3°
C11	C16	C15	C14	0.2°	0.5°
C16	C11	C10	H5	77.6°	150.0°
C16	C11	C10	H6	163.8°	30.0°
C16	C11	C12	H7	179.4°	179.7°
C11	C16	C15	H10	179.8°	179.7°
C12	C11	C16	C15	0.5°	0.5°
C11	C12	C13	H7	180.0°	180.0°
C11	C12	C13	C14	0.3°	0.0°
C12	C11	C10	H5	101.0°	30.2°
C12	C11	C10	H6	17.7°	150.2°
C11	C12	C13	H8	179.7°	180.0°
C12	C11	C16	H11	179.5°	179.8°
C16	C15	C14	H10	180.0°	179.8°
C16	C15	C14	C13	0.1°	0.2°
C16	C15	C14	H9	179.9°	179.8°
C12	C13	C14	C15	0.0°	0.0°
C12	C13	C14	H8	180.0°	180.0°
C12	C13	C14	H9	179.9°	180.0°
C15	C14	C13	H9	180.0°	180.0°
C15	C14	C13	H8	179.9°	180.0°
C14	C15	C16	H11	179.9°	179.8°
C14	C13	C12	H7	179.7°	180.0°
C13	C14	C15	H10	179.9°	180.0°
H7	C12	C13	H8	0.3°	0.1°
H8	C13	C14	H9	0.1°	0.0°
H9	C14	C15	H10	0.1°	0.1°
H10	C15	C16	H11	0.1°	0.1°
H12	C4	C5	H13	0.0°	0.0°
H14	C7	C8	H15	0.0°	0.3°

Release date:	2022-06-01
Definition date:	2021-05-24
Last modified:	2022-05-27
Release status:	REL
Processing site:	PDBE
Derived from:	7OMO