A1CFI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	sing	1.36Å	1.46Å
C02	C03	doub	1.37Å	1.37Å	Aromatic
C02	C18	sing	1.41Å	1.36Å	Aromatic
C03	C04	sing	1.39Å	1.40Å	Aromatic
C17	C18	doub	1.40Å	1.37Å	Aromatic
C17	C16	sing	1.36Å	1.44Å	Aromatic
C18	C06	sing	1.42Å	1.39Å	Aromatic
O20	S19	doub	1.42Å	1.54Å
C16	C08	doub	1.40Å	1.38Å	Aromatic
C04	S19	sing	1.76Å	1.84Å
C04	C05	doub	1.36Å	1.35Å	Aromatic
O22	S19	doub	1.42Å	1.59Å
S19	O21	sing	1.52Å	1.56Å
C06	C05	sing	1.41Å	1.39Å	Aromatic
C06	C07	doub	1.40Å	1.43Å	Aromatic
C08	C07	sing	1.38Å	1.40Å	Aromatic
C08	N09	sing	1.40Å	1.49Å
N09	C10	sing	1.40Å	1.44Å
C10	C11	doub	1.39Å	1.37Å	Aromatic
C10	C15	sing	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
C15	C14	doub	1.38Å	1.37Å	Aromatic
C12	C13	doub	1.38Å	1.37Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C14	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C03	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
N09	H11	sing	0.97Å	1.00Å
O01	H12	sing	0.97Å	0.95Å
O21	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	119.7°	120.2°
O01	C02	C18	119.8°	120.2°
C02	O01	H12	109.5°	114.1°
C03	C02	C18	120.5°	119.6°
C02	C03	C04	119.6°	120.9°
C02	C03	H4	120.2°	119.5°
C02	C18	C17	119.5°	121.1°
C02	C18	C06	119.9°	119.3°
C03	C04	S19	120.3°	119.5°
C03	C04	C05	120.3°	121.0°
C04	C03	H4	120.2°	119.5°
C18	C17	C16	119.5°	119.9°
C17	C18	C06	120.6°	119.6°
C18	C17	H10	120.3°	120.1°
C17	C16	C08	120.5°	120.9°
C17	C16	H9	119.8°	119.6°
C16	C17	H10	120.2°	120.0°
C18	C06	C05	119.8°	119.4°
C18	C06	C07	120.2°	119.4°
O20	S19	C04	110.3°	106.4°
O20	S19	O22	110.7°	123.2°
O20	S19	O21	112.7°	106.4°
C16	C08	C07	119.9°	120.6°
C16	C08	N09	118.3°	119.7°
C08	C16	H9	119.7°	119.5°
S19	C04	C05	119.3°	119.5°
C04	S19	O22	110.2°	106.4°
C04	S19	O21	110.8°	107.2°
C04	C05	C06	119.8°	119.7°
C04	C05	H5	120.1°	120.2°
O22	S19	O21	101.8°	106.4°
S19	O21	H13	109.5°	114.0°
C05	C06	C07	119.9°	121.2°
C06	C05	H5	120.1°	120.1°
C06	C07	C08	119.2°	119.5°
C06	C07	H6	120.4°	120.3°
C07	C08	N09	121.8°	119.7°
C08	C07	H6	120.4°	120.2°
C08	N09	C10	123.9°	120.0°
C08	N09	H11	118.1°	119.9°
N09	C10	C11	121.3°	120.1°
N09	C10	C15	118.4°	120.1°
C10	N09	H11	118.1°	120.0°
C11	C10	C15	120.3°	119.8°
C10	C11	C12	120.0°	119.9°
C10	C11	H2	120.0°	120.1°
C10	C15	C14	119.5°	120.0°
C10	C15	H8	120.2°	120.0°
C11	C12	C13	119.7°	120.1°
C12	C11	H2	120.0°	120.0°
C11	C12	H7	120.2°	119.9°
C15	C14	C13	120.2°	120.0°
C15	C14	H1	119.9°	120.0°
C14	C15	H8	120.2°	120.0°
C12	C13	C14	120.2°	120.2°
C12	C13	H3	119.9°	119.9°
C13	C12	H7	120.1°	120.0°
C13	C14	H1	119.9°	120.0°
C14	C13	H3	119.9°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	C18	179.9°	179.8°
O01	C02	C03	C04	179.4°	179.8°
O01	C02	C18	C17	0.4°	0.3°
O01	C02	C18	C06	179.9°	179.8°
O01	C02	C03	H4	0.5°	0.3°
C02	C03	C04	H4	180.0°	179.9°
C03	C02	C18	C17	179.7°	179.9°
C03	C02	C18	C06	0.0°	0.0°
C02	C03	C04	S19	179.9°	180.0°
C02	C03	C04	C05	0.7°	0.1°
C03	C02	O01	H12	180.0°	90.0°
C18	C02	C03	C04	0.5°	0.1°
C02	C18	C17	C06	179.7°	180.0°
C02	C18	C17	C16	179.6°	180.0°
C02	C18	C06	C05	0.2°	0.1°
C02	C18	C06	C07	179.5°	179.9°
C18	C02	C03	H4	179.6°	180.0°
C02	C18	C17	H10	0.4°	0.0°
C18	C02	O01	H12	0.1°	90.2°
C03	C04	S19	O20	28.3°	23.6°
C03	C04	S19	C05	179.4°	180.0°
C03	C04	S19	O22	94.3°	156.5°
C03	C04	S19	O21	153.8°	90.0°
C03	C04	C05	C06	0.5°	0.0°
C03	C04	C05	H5	179.5°	180.0°
C18	C17	C16	H10	180.0°	180.0°
C18	C17	C16	C08	0.2°	0.1°
C17	C18	C06	C05	179.9°	179.9°
C17	C18	C06	C07	0.1°	0.0°
C18	C17	C16	H9	179.7°	180.0°
C16	C17	C18	C06	0.1°	0.0°
C17	C16	C08	H9	180.0°	179.9°
C17	C16	C08	C07	0.4°	0.1°
C17	C16	C08	N09	179.8°	179.9°
C18	C06	C05	C04	0.1°	0.0°
C18	C06	C05	C07	179.7°	179.9°
C18	C06	C07	C08	0.4°	0.0°
C18	C06	C05	H5	179.9°	179.9°
C18	C06	C07	H6	179.6°	179.9°
C06	C18	C17	H10	179.9°	180.0°
O20	S19	C04	O22	122.5°	132.9°
O20	S19	C04	O21	125.5°	113.5°
O20	S19	C04	C05	152.3°	156.5°
O20	S19	O22	O21	120.1°	122.9°
O20	S19	O21	H13	118.7°	66.5°
C16	C08	C07	C06	0.5°	0.0°
C16	C08	C07	N09	179.4°	180.0°
C16	C08	N09	C10	166.0°	149.4°
C16	C08	C07	H6	179.5°	179.9°
C08	C16	C17	H10	179.7°	179.9°
C16	C08	N09	H11	14.0°	30.6°
C04	S19	O22	O21	117.6°	114.1°
S19	C04	C05	C06	180.0°	180.0°
S19	C04	C03	H4	0.1°	0.1°
S19	C04	C05	H5	0.0°	0.0°
C04	S19	O21	H13	117.2°	180.0°
C05	C04	S19	O22	85.2°	23.5°
C05	C04	S19	O21	26.8°	90.0°
C04	C05	C06	H5	180.0°	180.0°
C04	C05	C06	C07	179.8°	179.9°
C05	C04	C03	H4	179.3°	180.0°
O22	S19	O21	H13	0.0°	66.5°
C05	C06	C07	C08	179.9°	179.9°
C05	C06	C07	H6	0.1°	0.0°
C06	C07	C08	H6	180.0°	179.9°
C06	C07	C08	N09	179.9°	180.0°
C07	C06	C05	H5	0.2°	0.1°
C07	C08	N09	C10	14.6°	30.6°
C07	C08	C16	H9	179.5°	180.0°
C07	C08	N09	H11	165.4°	149.4°
C08	N09	C10	H11	180.0°	180.0°
C08	N09	C10	C11	44.7°	150.0°
C08	N09	C10	C15	136.6°	30.8°
N09	C08	C07	H6	0.1°	0.1°
N09	C08	C16	H9	0.2°	0.0°
N09	C10	C11	C15	178.6°	179.2°
N09	C10	C11	C12	179.6°	180.0°
N09	C10	C15	C14	179.3°	179.7°
N09	C10	C11	H2	0.4°	0.6°
N09	C10	C15	H8	0.7°	0.8°
C10	C11	C12	H2	180.0°	179.5°
C11	C10	C15	C14	0.6°	0.5°
C10	C11	C12	C13	0.6°	0.5°
C10	C11	C12	H7	179.4°	179.5°
C11	C10	C15	H8	179.3°	180.0°
C11	C10	N09	H11	135.3°	30.0°
C15	C10	C11	C12	1.0°	0.7°
C10	C15	C14	H8	180.0°	179.5°
C10	C15	C14	C13	0.2°	0.0°
C10	C15	C14	H1	179.8°	179.7°
C15	C10	C11	H2	179.0°	179.8°
C15	C10	N09	H11	43.4°	149.3°
C11	C12	C13	H7	180.0°	180.0°
C11	C12	C13	C14	0.2°	0.0°
C11	C12	C13	H3	179.8°	180.0°
C15	C14	C13	C12	0.6°	0.3°
C15	C14	C13	H1	180.0°	179.7°
C15	C14	C13	H3	179.4°	179.8°
C12	C13	C14	H3	180.0°	180.0°
C12	C13	C14	H1	179.4°	180.0°
C13	C12	C11	H2	179.4°	179.9°
C14	C13	C12	H7	179.8°	180.0°
C13	C14	C15	H8	179.9°	179.5°
H1	C14	C13	H3	0.6°	0.0°
H1	C14	C15	H8	0.1°	0.2°
H2	C11	C12	H7	0.6°	0.0°
H3	C13	C12	H7	0.2°	0.1°
H9	C16	C17	H10	0.3°	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:	9P0S