W62

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C14	doub	1.38Å	1.37Å	Aromatic
C13	C12	sing	1.38Å	1.37Å	Aromatic
C14	C15	sing	1.40Å	1.42Å	Aromatic
C12	C11	doub	1.40Å	1.42Å	Aromatic
C15	C16	doub	1.41Å	1.42Å	Aromatic
C15	C20	sing	1.41Å	1.41Å	Aromatic
C16	C17	sing	1.36Å	1.35Å	Aromatic
C11	C20	sing	1.41Å	1.41Å	Aromatic
C11	C10	sing	1.46Å	1.42Å	Aromatic
C20	C19	doub	1.41Å	1.42Å	Aromatic
C10	C9	doub	1.35Å	1.35Å	Aromatic
C17	C18	doub	1.41Å	1.41Å	Aromatic
C19	C18	sing	1.41Å	1.43Å	Aromatic
C19	C8	sing	1.46Å	1.42Å	Aromatic
C18	C4	sing	1.46Å	1.44Å	Aromatic
C9	C8	sing	1.46Å	1.42Å	Aromatic
C8	C7	doub	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.41Å	Aromatic
C4	C5	sing	1.42Å	1.42Å	Aromatic
C3	C2	sing	1.36Å	1.37Å	Aromatic
C7	C5	sing	1.40Å	1.39Å	Aromatic
C5	C6	doub	1.41Å	1.41Å	Aromatic
C2	C1	doub	1.39Å	1.38Å	Aromatic
C6	C1	sing	1.36Å	1.36Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C2	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C9	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	C12	121.0°	121.5°
C13	C14	C15	120.9°	120.1°
C14	C13	H4	119.5°	119.3°
C13	C14	H8	119.6°	120.0°
C13	C12	C11	120.8°	120.2°
C12	C13	H4	119.5°	119.2°
C13	C12	H7	119.6°	119.9°
C14	C15	C16	122.8°	121.6°
C14	C15	C20	118.7°	118.9°
C15	C14	H8	119.6°	119.9°
C12	C11	C20	118.7°	118.9°
C12	C11	C10	122.7°	121.1°
C11	C12	H7	119.6°	119.9°
C16	C15	C20	118.5°	119.5°
C15	C16	C17	121.4°	120.7°
C15	C16	H9	119.3°	119.6°
C15	C20	C11	119.9°	120.4°
C15	C20	C19	120.0°	119.4°
C16	C17	C18	122.0°	120.8°
C16	C17	H5	119.0°	119.6°
C17	C16	H9	119.3°	119.7°
C20	C11	C10	118.6°	120.0°
C11	C20	C19	120.1°	120.1°
C11	C10	C9	121.4°	121.1°
C11	C10	H3	119.3°	119.5°
C20	C19	C18	120.1°	119.8°
C20	C19	C8	119.9°	119.7°
C10	C9	C8	121.4°	120.2°
C9	C10	H3	119.3°	119.4°
C10	C9	H12	119.3°	119.9°
C17	C18	C19	118.0°	119.7°
C17	C18	C4	122.7°	121.8°
C18	C17	H5	119.0°	119.6°
C18	C19	C8	119.9°	120.4°
C19	C18	C4	119.3°	118.4°
C19	C8	C9	118.6°	118.8°
C19	C8	C7	119.6°	119.7°
C18	C4	C3	123.0°	120.8°
C18	C4	C5	119.3°	119.6°
C9	C8	C7	121.9°	121.5°
C8	C9	H12	119.3°	119.9°
C8	C7	C5	122.2°	120.8°
C8	C7	H2	118.9°	119.5°
C3	C4	C5	117.7°	119.6°
C4	C3	C2	121.5°	119.9°
C4	C3	H11	119.2°	120.1°
C4	C5	C7	119.7°	121.0°
C4	C5	C6	119.3°	118.9°
C3	C2	C1	120.5°	120.7°
C3	C2	H10	119.7°	119.6°
C2	C3	H11	119.3°	120.0°
C7	C5	C6	121.0°	120.1°
C5	C7	H2	118.9°	119.6°
C5	C6	C1	120.6°	119.8°
C5	C6	H1	119.7°	120.1°
C2	C1	C6	120.4°	121.0°
C2	C1	H6	119.8°	119.4°
C1	C2	H10	119.7°	119.6°
C1	C6	H1	119.7°	120.0°
C6	C1	H6	119.8°	119.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	C12	H4	180.0°	179.9°
C13	C14	C15	H8	180.0°	179.9°
C14	C13	C12	C11	0.0°	0.0°
C13	C14	C15	C16	179.5°	179.3°
C13	C14	C15	C20	0.0°	0.1°
C14	C13	C12	H7	180.0°	180.0°
C12	C13	C14	C15	0.0°	0.1°
C13	C12	C11	H7	180.0°	180.0°
C13	C12	C11	C20	0.0°	0.0°
C13	C12	C11	C10	179.4°	179.7°
C12	C13	C14	H8	180.0°	180.0°
C14	C15	C16	C20	179.4°	179.1°
C14	C15	C16	C17	179.1°	179.8°
C14	C15	C20	C11	0.1°	0.1°
C14	C15	C20	C19	179.2°	179.5°
C15	C14	C13	H4	180.0°	180.0°
C14	C15	C16	H9	0.9°	0.8°
C12	C11	C20	C15	0.1°	0.0°
C12	C11	C20	C10	179.3°	179.7°
C12	C11	C20	C19	179.2°	179.6°
C12	C11	C10	C9	179.2°	179.6°
C12	C11	C10	H3	0.8°	0.4°
C11	C12	C13	H4	180.0°	179.9°
C15	C16	C17	H9	180.0°	179.4°
C16	C15	C20	C11	179.5°	179.3°
C16	C15	C20	C19	0.3°	0.3°
C15	C16	C17	C18	0.0°	0.7°
C15	C16	C17	H5	180.0°	179.4°
C16	C15	C14	H8	0.5°	0.8°
C20	C15	C16	C17	0.3°	0.7°
C15	C20	C11	C19	179.3°	179.6°
C15	C20	C11	C10	179.4°	179.7°
C15	C20	C19	C18	0.1°	0.0°
C15	C20	C19	C8	179.2°	179.7°
C20	C15	C14	H8	179.9°	180.0°
C20	C15	C16	H9	179.7°	180.0°
C16	C17	C18	H5	180.0°	179.9°
C16	C17	C18	C19	0.3°	0.3°
C16	C17	C18	C4	179.1°	179.9°
C20	C11	C10	C9	0.1°	0.1°
C11	C20	C19	C18	179.2°	179.6°
C11	C20	C19	C8	0.0°	0.1°
C20	C11	C10	H3	179.9°	179.9°
C20	C11	C12	H7	179.9°	180.0°
C10	C11	C20	C19	0.2°	0.1°
C11	C10	C9	H3	180.0°	180.0°
C11	C10	C9	C8	0.1°	0.1°
C10	C11	C12	H7	0.6°	0.3°
C11	C10	C9	H12	179.9°	180.0°
C20	C19	C18	C17	0.4°	0.0°
C20	C19	C18	C8	179.1°	179.7°
C20	C19	C18	C4	179.1°	179.7°
C20	C19	C8	C9	0.3°	0.1°
C20	C19	C8	C7	179.1°	180.0°
C10	C9	C8	C19	0.3°	0.1°
C10	C9	C8	H12	180.0°	179.9°
C10	C9	C8	C7	179.1°	179.9°
C17	C18	C19	C4	179.5°	179.7°
C17	C18	C19	C8	179.5°	179.7°
C17	C18	C4	C3	0.0°	0.0°
C17	C18	C4	C5	179.5°	179.7°
C18	C17	C16	H9	180.0°	180.0°
C18	C19	C8	C9	179.4°	179.6°
C18	C19	C8	C7	0.0°	0.3°
C19	C18	C4	C3	179.4°	179.8°
C19	C18	C4	C5	0.0°	0.5°
C19	C18	C17	H5	179.6°	179.8°
C8	C19	C18	C4	0.0°	0.5°
C19	C8	C9	C7	179.4°	179.9°
C19	C8	C7	C5	0.1°	0.0°
C19	C8	C7	H2	179.9°	180.0°
C19	C8	C9	H12	179.7°	180.0°
C18	C4	C3	C5	179.5°	179.7°
C18	C4	C3	C2	179.5°	179.8°
C18	C4	C5	C7	0.0°	0.3°
C18	C4	C5	C6	179.5°	179.7°
C4	C18	C17	H5	0.9°	0.0°
C18	C4	C3	H11	0.5°	0.3°
C9	C8	C7	C5	179.3°	179.9°
C9	C8	C7	H2	0.7°	0.1°
C8	C9	C10	H3	179.9°	179.9°
C8	C7	C5	C4	0.1°	0.0°
C8	C7	C5	H2	180.0°	180.0°
C8	C7	C5	C6	179.4°	180.0°
C7	C8	C9	H12	0.9°	0.1°
C4	C3	C2	H11	180.0°	179.9°
C3	C4	C5	C7	179.5°	180.0°
C3	C4	C5	C6	0.0°	0.0°
C4	C3	C2	C1	0.0°	0.1°
C4	C3	C2	H10	180.0°	179.9°
C5	C4	C3	C2	0.0°	0.1°
C4	C5	C7	C6	179.5°	180.0°
C4	C5	C6	C1	0.0°	0.0°
C4	C5	C6	H1	180.0°	179.9°
C4	C5	C7	H2	179.9°	180.0°
C5	C4	C3	H11	180.0°	180.0°
C3	C2	C1	H10	180.0°	180.0°
C3	C2	C1	C6	0.1°	0.0°
C3	C2	C1	H6	179.9°	179.9°
C7	C5	C6	C1	179.5°	180.0°
C7	C5	C6	H1	0.5°	0.1°
C5	C6	C1	C2	0.0°	0.0°
C5	C6	C1	H1	180.0°	179.9°
C6	C5	C7	H2	0.6°	0.0°
C5	C6	C1	H6	179.9°	180.0°
C2	C1	C6	H6	180.0°	180.0°
C2	C1	C6	H1	180.0°	179.9°
C1	C2	C3	H11	180.0°	180.0°
C6	C1	C2	H10	179.9°	180.0°
H1	C6	C1	H6	0.1°	0.1°
H3	C10	C9	H12	0.1°	0.0°
H4	C13	C12	H7	0.0°	0.1°
H4	C13	C14	H8	0.0°	0.2°
H5	C17	C16	H9	0.0°	0.1°
H6	C1	C2	H10	0.1°	0.1°
H10	C2	C3	H11	0.0°	0.0°

Release date:	2024-01-10
Definition date:	2023-09-26
Last modified:	2024-01-05
Release status:	REL
Processing site:	PDBE
Derived from:	8QMO