A1CFK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C09	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C09	C08	sing	1.37Å	1.39Å	Aromatic
C11	C12	doub	1.39Å	1.40Å	Aromatic
C08	C07	doub	1.40Å	1.41Å	Aromatic
C12	C07	sing	1.41Å	1.38Å	Aromatic
C12	N13	sing	1.38Å	1.35Å	Aromatic
C07	N06	sing	1.36Å	1.34Å	Aromatic
C17	C16	doub	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
N13	C14	sing	1.46Å	1.46Å
N13	C05	sing	1.36Å	1.32Å	Aromatic
C18	C19	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.51Å	1.53Å
C15	C20	doub	1.38Å	1.39Å	Aromatic
N06	C05	doub	1.30Å	1.32Å	Aromatic
C19	C20	sing	1.38Å	1.39Å	Aromatic
C05	S02	sing	1.76Å	1.81Å
S02	O03	doub	1.42Å	1.51Å
S02	O01	doub	1.42Å	1.51Å
S02	O04	sing	1.52Å	1.51Å
C08	H1	sing	1.08Å	1.08Å
C09	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.08Å	1.08Å
O04	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C10	C11	120.5°	120.5°
C10	C09	C08	119.5°	120.6°
C10	C09	H2	120.2°	119.7°
C09	C10	H3	119.8°	119.7°
C10	C11	C12	120.2°	119.7°
C11	C10	H3	119.7°	119.8°
C10	C11	H4	119.9°	120.2°
C09	C08	C07	120.2°	119.9°
C09	C08	H1	119.9°	120.0°
C08	C09	H2	120.3°	119.7°
C11	C12	C07	119.3°	119.9°
C11	C12	N13	133.7°	134.1°
C12	C11	H4	119.9°	120.2°
C08	C07	C12	120.3°	119.4°
C08	C07	N06	132.8°	133.7°
C07	C08	H1	119.9°	120.0°
C07	C12	N13	107.0°	106.0°
C12	C07	N06	106.9°	106.9°
C12	N13	C14	126.8°	126.4°
C12	N13	C05	107.7°	107.3°
C07	N06	C05	108.4°	109.7°
C16	C17	C18	119.9°	120.0°
C17	C16	C15	120.4°	120.0°
C17	C16	H7	119.8°	120.0°
C16	C17	H8	120.1°	120.0°
C17	C18	C19	119.6°	120.0°
C18	C17	H8	120.1°	120.0°
C17	C18	H9	120.2°	120.0°
C16	C15	C14	121.6°	120.0°
C16	C15	C20	119.5°	120.0°
C15	C16	H7	119.8°	120.0°
C14	N13	C05	125.5°	126.4°
N13	C14	C15	113.7°	109.5°
N13	C14	H5	108.4°	109.5°
N13	C14	H6	108.4°	109.4°
N13	C05	N06	110.1°	110.1°
N13	C05	S02	125.7°	125.0°
C18	C19	C20	120.6°	120.0°
C19	C18	H9	120.2°	120.0°
C18	C19	H10	119.7°	120.0°
C14	C15	C20	118.9°	120.0°
C15	C14	H5	108.4°	109.5°
C15	C14	H6	108.4°	109.5°
C15	C20	C19	120.0°	120.0°
C15	C20	H11	120.0°	120.0°
N06	C05	S02	124.3°	124.9°
C20	C19	H10	119.7°	120.0°
C19	C20	H11	120.0°	120.0°
C05	S02	O03	111.4°	106.4°
C05	S02	O01	110.7°	106.3°
C05	S02	O04	109.2°	107.2°
O03	S02	O01	111.2°	123.2°
O03	S02	O04	101.1°	106.4°
O01	S02	O04	113.0°	106.4°
S02	O04	H12	109.5°	114.0°
H5	C14	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C10	C11	H3	180.0°	180.0°
C10	C09	C08	H2	180.0°	179.9°
C09	C10	C11	C12	0.8°	0.2°
C10	C09	C08	C07	0.0°	0.1°
C10	C09	C08	H1	180.0°	180.0°
C09	C10	C11	H4	179.2°	179.9°
C11	C10	C09	C08	0.5°	0.1°
C10	C11	C12	H4	180.0°	179.9°
C10	C11	C12	C07	0.6°	0.4°
C10	C11	C12	N13	179.9°	179.9°
C11	C10	C09	H2	179.5°	180.0°
C09	C08	C07	H1	180.0°	179.9°
C09	C08	C07	C12	0.2°	0.1°
C09	C08	C07	N06	179.9°	179.9°
C08	C09	C10	H3	179.5°	180.0°
C11	C12	C07	C08	0.1°	0.3°
C11	C12	C07	N13	179.4°	179.8°
C11	C12	C07	N06	179.7°	179.8°
C11	C12	N13	C14	1.5°	0.3°
C11	C12	N13	C05	179.8°	179.6°
C12	C11	C10	H3	179.2°	179.8°
C08	C07	C12	N06	179.8°	179.9°
C08	C07	C12	N13	179.5°	179.9°
C08	C07	N06	C05	179.8°	180.0°
C07	C08	C09	H2	180.0°	180.0°
C07	C12	N13	C14	179.2°	179.9°
C07	C12	N13	C05	0.5°	0.1°
C12	C07	N06	C05	0.1°	0.2°
C12	C07	C08	H1	179.8°	179.8°
C07	C12	C11	H4	179.4°	179.7°
N13	C12	C07	N06	0.3°	0.0°
C12	N13	C14	C05	178.5°	179.9°
C12	N13	C14	C15	80.6°	90.0°
C12	N13	C05	N06	0.5°	0.2°
C12	N13	C05	S02	179.7°	180.0°
N13	C12	C11	H4	0.1°	0.0°
C12	N13	C14	H5	40.1°	30.1°
C12	N13	C14	H6	158.8°	150.0°
C07	N06	C05	N13	0.4°	0.3°
C07	N06	C05	S02	179.8°	180.0°
N06	C07	C08	H1	0.0°	0.0°
C16	C17	C18	H8	180.0°	180.0°
C17	C16	C15	H7	180.0°	180.0°
C16	C17	C18	C19	0.5°	0.0°
C17	C16	C15	C14	179.9°	180.0°
C17	C16	C15	C20	0.3°	0.3°
C16	C17	C18	H9	179.6°	179.9°
C18	C17	C16	C15	0.1°	0.0°
C17	C18	C19	H9	180.0°	179.9°
C17	C18	C19	C20	0.8°	0.2°
C18	C17	C16	H7	179.9°	180.0°
C17	C18	C19	H10	179.2°	180.0°
C16	C15	C14	N13	9.6°	89.8°
C16	C15	C14	C20	179.8°	179.8°
C16	C15	C20	C19	0.0°	0.5°
C16	C15	C14	H5	111.0°	30.3°
C16	C15	C14	H6	130.2°	150.3°
C15	C16	C17	H8	179.9°	180.0°
C16	C15	C20	H11	180.0°	179.7°
N13	C14	C15	H5	120.6°	120.0°
N13	C14	C15	H6	120.6°	119.9°
N13	C14	C15	C20	170.6°	90.0°
C14	N13	C05	N06	179.3°	179.8°
C14	N13	C05	S02	0.9°	0.1°
N13	C14	H5	H6	118.1°	119.9°
C05	N13	C14	C15	100.9°	90.1°
N13	C05	N06	S02	179.8°	179.7°
N13	C05	S02	O03	69.0°	96.2°
N13	C05	S02	O01	55.3°	36.7°
N13	C05	S02	O04	179.8°	150.2°
C05	N13	C14	H5	138.5°	149.8°
C05	N13	C14	H6	19.7°	29.9°
C18	C19	C20	C15	0.6°	0.5°
C18	C19	C20	H10	180.0°	179.8°
C19	C18	C17	H8	179.5°	180.0°
C18	C19	C20	H11	179.4°	179.8°
C14	C15	C20	C19	179.8°	179.8°
C15	C14	H5	H6	118.1°	120.0°
C14	C15	C16	H7	0.1°	0.0°
C14	C15	C20	H11	0.2°	0.0°
C15	C20	C19	H11	180.0°	179.8°
C20	C15	C14	H5	68.8°	150.0°
C20	C15	C14	H6	49.9°	29.9°
C20	C15	C16	H7	179.7°	179.8°
C15	C20	C19	H10	179.4°	179.7°
N06	C05	S02	O03	111.3°	83.5°
N06	C05	S02	O01	124.5°	143.6°
N06	C05	S02	O04	0.5°	30.1°
C20	C19	C18	H9	179.2°	179.9°
C05	S02	O03	O01	123.9°	122.9°
C05	S02	O03	O04	115.8°	114.1°
C05	S02	O01	O04	122.8°	114.1°
C05	S02	O04	H12	117.5°	180.0°
O03	S02	O01	O04	112.9°	123.0°
O03	S02	O04	H12	0.0°	66.5°
O01	S02	O04	H12	118.9°	66.5°
H1	C08	C09	H2	0.0°	0.0°
H2	C09	C10	H3	0.5°	0.0°
H3	C10	C11	H4	0.8°	0.1°
H7	C16	C17	H8	0.1°	0.0°
H8	C17	C18	H9	0.4°	0.1°
H9	C18	C19	H10	0.7°	0.1°
H10	C19	C20	H11	0.6°	0.0°

Release date:	2026-02-04
Definition date:	2025-06-09
Last modified:	2026-01-30
Release status:	REL
Processing site:	RCSB
Derived from:	9P0Q