VYW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C13	doub	1.22Å	1.21Å
C16	C17	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.51Å	1.51Å
C14	N2	sing	1.47Å	1.47Å
C13	N2	sing	1.35Å	1.39Å
C13	C12	sing	1.41Å	1.37Å
C15	C20	doub	1.38Å	1.40Å	Aromatic
C18	C19	doub	1.38Å	1.38Å	Aromatic
N2	N3	sing	1.28Å	1.36Å
C12	C11	doub	1.36Å	1.34Å
C20	C19	sing	1.38Å	1.39Å	Aromatic
N3	C10	doub	1.31Å	1.31Å
C11	C10	sing	1.42Å	1.43Å
C10	C9	sing	1.48Å	1.48Å
C9	O1	doub	1.22Å	1.23Å
C9	N1	sing	1.35Å	1.37Å
N1	C8	sing	1.40Å	1.42Å
C8	C21	doub	1.39Å	1.39Å	Aromatic
C8	C7	sing	1.39Å	1.38Å	Aromatic
C21	C4	sing	1.39Å	1.39Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
O	C	doub	1.22Å	1.23Å
C4	C	sing	1.48Å	1.50Å
C4	C5	doub	1.40Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C	N	sing	1.35Å	1.35Å
N	C1	sing	1.47Å	1.47Å
C1	C2	sing	1.53Å	1.50Å
C1	C3	sing	1.53Å	1.49Å
C2	C3	sing	1.53Å	1.50Å
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C20	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
N	H15	sing	0.97Å	1.00Å
C1	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C3	H18	sing	1.09Å	1.10Å
C2	H19	sing	1.09Å	1.10Å
C2	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C13	N2	121.5°	120.2°
O2	C13	C12	122.5°	120.3°
C17	C16	C15	120.8°	120.0°
C16	C17	C18	120.2°	120.0°
C16	C17	H5	119.9°	120.0°
C17	C16	H14	119.6°	120.0°
C16	C15	C14	120.8°	120.0°
C16	C15	C20	118.3°	119.9°
C15	C16	H14	119.6°	119.9°
C17	C18	C19	119.6°	120.0°
C18	C17	H5	119.9°	120.0°
C17	C18	H13	120.2°	120.0°
C15	C14	N2	110.8°	109.5°
C14	C15	C20	120.6°	120.0°
C15	C14	H10	109.1°	109.5°
C15	C14	H11	109.1°	109.5°
C14	N2	C13	121.7°	119.1°
C14	N2	N3	112.9°	119.1°
N2	C14	H10	109.2°	109.5°
N2	C14	H11	109.1°	109.5°
N2	C13	C12	115.9°	119.5°
C13	N2	N3	125.4°	121.8°
C13	C12	C11	121.2°	118.0°
C13	C12	H8	119.4°	121.0°
C15	C20	C19	121.0°	120.0°
C15	C20	H6	119.5°	120.0°
C18	C19	C20	120.1°	120.0°
C18	C19	H12	120.0°	120.0°
C19	C18	H13	120.2°	120.0°
N2	N3	C10	116.2°	122.3°
C12	C11	C10	118.9°	118.2°
C11	C12	H8	119.4°	121.0°
C12	C11	H9	120.5°	120.9°
C19	C20	H6	119.5°	120.0°
C20	C19	H12	120.0°	120.0°
N3	C10	C11	122.4°	120.2°
N3	C10	C9	122.2°	119.9°
C11	C10	C9	115.2°	119.9°
C10	C11	H9	120.6°	120.9°
C10	C9	O1	120.8°	120.0°
C10	C9	N1	116.3°	120.0°
O1	C9	N1	122.8°	120.0°
C9	N1	C8	125.9°	120.0°
C9	N1	H1	117.0°	120.0°
N1	C8	C21	119.4°	120.0°
N1	C8	C7	120.8°	120.0°
C8	N1	H1	117.1°	120.0°
C21	C8	C7	119.7°	120.0°
C8	C21	C4	121.0°	119.7°
C8	C21	H7	119.5°	120.1°
C8	C7	C6	119.6°	120.2°
C8	C7	H4	120.2°	119.9°
C21	C4	C	118.4°	120.1°
C21	C4	C5	118.6°	119.8°
C4	C21	H7	119.5°	120.1°
C7	C6	C5	120.6°	120.2°
C7	C6	H3	119.7°	119.9°
C6	C7	H4	120.2°	119.9°
O	C	C4	120.6°	120.0°
O	C	N	122.6°	120.0°
C	C4	C5	122.9°	120.1°
C4	C	N	116.7°	120.0°
C4	C5	C6	120.4°	120.0°
C4	C5	H2	119.8°	120.0°
C6	C5	H2	119.8°	120.0°
C5	C6	H3	119.7°	119.9°
C	N	C1	123.5°	120.0°
C	N	H15	118.2°	120.0°
N	C1	C2	119.3°	117.5°
N	C1	C3	118.4°	117.5°
C1	N	H15	118.2°	120.0°
N	C1	H16	116.1°	115.5°
C2	C1	C3	60.1°	60.0°
C1	C2	C3	59.9°	60.0°
C2	C1	H16	115.6°	117.5°
C1	C2	H19	120.0°	117.5°
C1	C2	H20	120.0°	117.5°
C1	C3	C2	60.0°	60.0°
C3	C1	H16	115.6°	117.5°
C1	C3	H17	120.0°	117.4°
C1	C3	H18	120.0°	117.5°
C2	C3	H17	120.0°	117.5°
C2	C3	H18	120.0°	117.6°
C3	C2	H19	120.0°	117.5°
C3	C2	H20	120.0°	117.5°
H10	C14	H11	109.5°	109.5°
H17	C3	H18	109.5°	115.6°
H19	C2	H20	109.5°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C13	N2	C14	0.3°	0.0°
O2	C13	N2	C12	175.8°	180.0°
O2	C13	N2	N3	177.6°	180.0°
O2	C13	C12	C11	176.9°	180.0°
O2	C13	C12	H8	3.1°	0.0°
C17	C16	C15	H14	180.0°	179.4°
C16	C17	C18	H5	180.0°	179.6°
C17	C16	C15	C14	171.1°	179.7°
C17	C16	C15	C20	2.5°	0.6°
C16	C17	C18	C19	0.3°	0.3°
C16	C17	C18	H13	179.7°	180.0°
C15	C16	C17	C18	2.3°	0.6°
C16	C15	C14	C20	173.5°	179.7°
C16	C15	C14	N2	145.5°	89.8°
C16	C15	C20	C19	0.9°	0.3°
C15	C16	C17	H5	177.7°	179.8°
C16	C15	C20	H6	179.1°	179.8°
C16	C15	C14	H10	94.3°	30.2°
C16	C15	C14	H11	25.3°	150.3°
C17	C18	C19	H13	180.0°	179.7°
C17	C18	C19	C20	1.4°	0.0°
C17	C18	C19	H12	178.6°	180.0°
C18	C17	C16	H14	177.8°	180.0°
C15	C14	N2	H10	120.2°	120.0°
C15	C14	N2	H11	120.2°	120.0°
C15	C14	N2	C13	92.1°	90.0°
C15	C14	N2	N3	89.7°	90.0°
C14	C15	C20	C19	172.8°	180.0°
C14	C15	C20	H6	7.3°	0.0°
C15	C14	H10	H11	119.4°	120.0°
C14	C15	C16	H14	8.9°	0.3°
C14	N2	C13	N3	177.9°	180.0°
C14	N2	C13	C12	176.1°	180.0°
N2	C14	C15	C20	28.0°	90.0°
C14	N2	N3	C10	177.1°	180.0°
N2	C14	H10	H11	119.4°	120.0°
N2	C13	C12	C11	1.2°	0.0°
C13	N2	N3	C10	1.0°	0.0°
N2	C13	C12	H8	178.8°	180.0°
C13	N2	C14	H10	147.7°	30.0°
C13	N2	C14	H11	28.1°	150.0°
C12	C13	N2	N3	1.8°	0.0°
C13	C12	C11	H8	180.0°	180.0°
C13	C12	C11	C10	0.0°	0.0°
C13	C12	C11	H9	180.0°	180.0°
C15	C20	C19	C18	1.1°	0.0°
C15	C20	C19	H6	180.0°	180.0°
C20	C15	C14	H10	92.2°	150.0°
C20	C15	C14	H11	148.2°	30.0°
C15	C20	C19	H12	178.9°	180.0°
C20	C15	C16	H14	177.5°	180.0°
C18	C19	C20	H12	180.0°	180.0°
C19	C18	C17	H5	179.7°	180.0°
C18	C19	C20	H6	179.0°	180.0°
N2	N3	C10	C11	0.3°	0.0°
N2	N3	C10	C9	175.3°	180.0°
N3	N2	C14	H10	30.5°	150.0°
N3	N2	C14	H11	150.1°	30.0°
C12	C11	C10	N3	0.8°	0.0°
C12	C11	C10	H9	180.0°	180.0°
C12	C11	C10	C9	176.1°	180.0°
C20	C19	C18	H13	178.7°	179.7°
N3	C10	C11	C9	175.3°	180.0°
N3	C10	C9	O1	157.6°	180.0°
N3	C10	C9	N1	26.7°	0.0°
N3	C10	C11	H9	179.2°	180.0°
C11	C10	C9	O1	17.7°	0.0°
C11	C10	C9	N1	158.0°	180.0°
C10	C11	C12	H8	180.0°	180.0°
C10	C9	O1	N1	175.4°	180.0°
C10	C9	N1	C8	172.4°	175.4°
C10	C9	N1	H1	7.6°	4.9°
C9	C10	C11	H9	3.9°	0.0°
O1	C9	N1	C8	11.9°	4.6°
O1	C9	N1	H1	168.1°	175.1°
C9	N1	C8	H1	180.0°	179.7°
C9	N1	C8	C21	4.3°	144.9°
C9	N1	C8	C7	171.4°	35.6°
N1	C8	C21	C7	175.7°	179.5°
N1	C8	C21	C4	172.2°	180.0°
N1	C8	C7	C6	171.4°	179.8°
N1	C8	C7	H4	8.6°	0.3°
N1	C8	C21	H7	7.8°	0.0°
C8	C21	C4	H7	180.0°	180.0°
C21	C8	C7	C6	4.2°	0.2°
C8	C21	C4	C	178.1°	179.8°
C8	C21	C4	C5	0.8°	0.5°
C21	C8	N1	H1	175.7°	35.4°
C21	C8	C7	H4	175.8°	179.8°
C7	C8	C21	C4	3.5°	0.5°
C8	C7	C6	H4	180.0°	179.9°
C8	C7	C6	C5	2.3°	0.0°
C7	C8	N1	H1	8.6°	144.2°
C8	C7	C6	H3	177.6°	180.0°
C7	C8	C21	H7	176.5°	179.5°
C21	C4	C	O	45.1°	0.3°
C21	C4	C	C5	178.9°	179.7°
C21	C4	C5	C6	1.1°	0.3°
C21	C4	C	N	136.1°	179.7°
C21	C4	C5	H2	178.9°	179.8°
C7	C6	C5	C4	0.3°	0.0°
C7	C6	C5	H3	180.0°	180.0°
C7	C6	C5	H2	179.7°	180.0°
O	C	C4	N	178.8°	180.0°
O	C	C4	C5	136.0°	180.0°
O	C	N	C1	1.4°	0.0°
O	C	N	H15	178.6°	180.0°
C	C4	C5	C6	179.9°	180.0°
C4	C	N	C1	179.8°	180.0°
C	C4	C5	H2	0.1°	0.0°
C	C4	C21	H7	1.9°	0.2°
C4	C	N	H15	0.2°	0.0°
C4	C5	C6	H2	180.0°	180.0°
C5	C4	C	N	42.8°	0.0°
C4	C5	C6	H3	179.7°	180.0°
C5	C4	C21	H7	179.2°	179.5°
C5	C6	C7	H4	177.6°	180.0°
C	N	C1	H15	180.0°	179.9°
C	N	C1	C2	57.4°	155.0°
C	N	C1	C3	127.1°	136.4°
C	N	C1	H16	88.4°	9.3°
N	C1	C2	C3	107.9°	107.4°
N	C1	C2	H16	146.0°	145.0°
N	C1	C3	H16	144.6°	145.0°
N	C1	C3	H17	141.3°	145.0°
N	C1	C3	H18	0.2°	0.0°
N	C1	C2	H19	1.6°	0.0°
N	C1	C2	H20	142.7°	145.0°
C2	C1	C3	H16	106.1°	107.5°
C1	C2	C3	H19	109.5°	107.5°
C1	C2	C3	H20	109.4°	107.5°
C2	C1	N	H15	122.6°	24.9°
C2	C1	C3	H17	109.5°	107.4°
C2	C1	C3	H18	109.4°	107.5°
C1	C2	H19	H20	144.8°	145.7°
C3	C1	N	H15	52.8°	43.7°
C1	C3	H17	H18	144.8°	145.7°
C2	C3	H17	H18	144.7°	145.8°
C3	C2	H19	H20	144.8°	145.7°
H2	C5	C6	H3	0.3°	0.0°
H3	C6	C7	H4	2.4°	0.0°
H5	C17	C18	H13	0.3°	0.3°
H5	C17	C16	H14	2.3°	0.3°
H6	C20	C19	H12	1.0°	0.0°
H8	C12	C11	H9	0.0°	0.0°
H12	C19	C18	H13	1.3°	0.3°
H15	N	C1	H16	91.6°	170.7°
H16	C1	C3	H17	3.4°	0.0°
H16	C1	C3	H18	144.5°	145.0°
H16	C1	C2	H19	144.4°	145.0°
H16	C1	C2	H20	3.3°	0.0°
H17	C3	C2	H19	141.1°	145.0°
H17	C3	C2	H20	0.0°	0.1°
H18	C3	C2	H19	0.0°	0.1°
H18	C3	C2	H20	141.1°	145.1°

Release date:	2023-08-09
Definition date:	2023-04-14
Last modified:	2023-08-04
Release status:	REL
Processing site:	PDBE
Derived from:	8OLU