A1CQE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S10	C11	sing	1.76Å	1.74Å
S10	C09	sing	1.82Å	1.70Å
C12	C11	doub	1.39Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C11	C20	sing	1.40Å	1.40Å	Aromatic
F16	C15	sing	1.40Å	1.35Å
C13	C14	doub	1.38Å	1.39Å	Aromatic
C20	N21	sing	1.39Å	1.58Å
C20	C19	doub	1.39Å	1.39Å	Aromatic
C09	C22	sing	1.51Å	1.54Å
C09	C08	sing	1.53Å	1.54Å
N21	C22	sing	1.33Å	1.53Å
C22	O23	doub	1.21Å	1.19Å
C14	C19	sing	1.38Å	1.37Å	Aromatic
C14	C15	sing	1.51Å	1.51Å
F17	C15	sing	1.40Å	1.34Å
C15	F18	sing	1.40Å	1.35Å
C08	C06	sing	1.51Å	1.53Å
O07	C06	doub	1.21Å	1.19Å
C06	N05	sing	1.35Å	1.45Å
N05	C04	sing	1.46Å	1.45Å
C04	C02	sing	1.51Å	1.53Å
O01	C02	doub	1.21Å	1.26Å
C02	O03	sing	1.34Å	1.26Å
C13	H1	sing	1.08Å	1.08Å
C04	H2	sing	1.09Å	1.10Å
C04	H3	sing	1.09Å	1.10Å
C08	H4	sing	1.09Å	1.10Å
C08	H5	sing	1.09Å	1.10Å
C09	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
N05	H9	sing	0.97Å	1.00Å
N21	H10	sing	0.97Å	1.00Å
O03	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	S10	C09	107.4°	101.8°
S10	C11	C12	119.7°	119.9°
S10	C11	C20	119.8°	119.6°
S10	C09	C22	116.8°	108.4°
S10	C09	C08	106.1°	109.7°
S10	C09	H6	107.0°	109.9°
C11	C12	C13	118.9°	119.9°
C12	C11	C20	120.5°	120.4°
C11	C12	H7	120.5°	120.0°
C12	C13	C14	120.0°	119.9°
C12	C13	H1	120.0°	120.1°
C13	C12	H7	120.6°	120.0°
C11	C20	N21	120.9°	121.7°
C11	C20	C19	120.4°	119.0°
F16	C15	C14	107.4°	109.5°
F16	C15	F17	110.1°	109.5°
F16	C15	F18	109.5°	109.5°
C13	C14	C19	121.7°	120.4°
C13	C14	C15	118.9°	119.8°
C14	C13	H1	120.0°	120.0°
N21	C20	C19	118.6°	119.3°
C20	N21	C22	123.4°	126.4°
C20	N21	H10	118.3°	116.8°
C20	C19	C14	118.4°	120.3°
C20	C19	H8	120.8°	119.8°
C22	C09	C08	108.8°	109.6°
C09	C22	N21	114.9°	122.9°
C09	C22	O23	124.4°	118.4°
C22	C09	H6	108.9°	109.6°
C09	C08	C06	112.2°	109.4°
C09	C08	H4	108.8°	109.5°
C09	C08	H5	108.8°	109.4°
C08	C09	H6	108.9°	109.6°
N21	C22	O23	120.6°	118.6°
C22	N21	H10	118.3°	116.8°
C19	C14	C15	119.3°	119.8°
C14	C19	H8	120.8°	119.9°
C14	C15	F17	107.3°	109.5°
C14	C15	F18	113.1°	109.4°
F17	C15	F18	109.5°	109.5°
C08	C06	O07	120.4°	120.0°
C08	C06	N05	119.8°	120.0°
C06	C08	H4	108.8°	109.5°
C06	C08	H5	108.8°	109.5°
O07	C06	N05	119.8°	120.0°
C06	N05	C04	119.6°	120.0°
C06	N05	H9	120.2°	120.0°
N05	C04	C02	110.2°	109.5°
N05	C04	H2	109.3°	109.4°
N05	C04	H3	109.3°	109.5°
C04	N05	H9	120.2°	120.0°
C04	C02	O01	119.4°	120.0°
C04	C02	O03	120.4°	120.0°
C02	C04	H2	109.3°	109.5°
C02	C04	H3	109.3°	109.5°
O01	C02	O03	120.1°	120.0°
C02	O03	H11	109.5°	117.0°
H2	C04	H3	109.5°	109.5°
H4	C08	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S10	C11	C12	C20	180.0°	179.2°
S10	C11	C12	C13	179.2°	178.9°
S10	C11	C20	N21	0.1°	1.0°
S10	C11	C20	C19	178.9°	178.3°
C11	S10	C09	C22	46.8°	45.6°
C11	S10	C09	C08	74.7°	74.1°
C11	S10	C09	H6	169.1°	165.3°
S10	C11	C12	H7	0.8°	1.1°
C09	S10	C11	C12	150.9°	150.5°
C09	S10	C11	C20	29.1°	30.3°
S10	C09	C22	C08	120.0°	119.7°
S10	C09	C22	H6	121.3°	120.0°
S10	C09	C08	H6	114.9°	120.8°
S10	C09	C22	N21	34.2°	39.6°
S10	C09	C22	O23	146.9°	141.3°
S10	C09	C08	C06	163.5°	66.1°
S10	C09	C08	H4	43.1°	173.9°
S10	C09	C08	H5	76.1°	53.9°
C11	C12	C13	H7	180.0°	179.9°
C11	C12	C13	C14	1.3°	0.2°
C12	C11	C20	N21	179.9°	179.7°
C12	C11	C20	C19	1.1°	1.0°
C11	C12	C13	H1	178.7°	179.6°
C13	C12	C11	C20	0.8°	0.4°
C12	C13	C14	H1	180.0°	179.8°
C12	C13	C14	C19	2.2°	0.2°
C12	C13	C14	C15	178.9°	179.8°
C11	C20	N21	C19	178.8°	179.3°
C11	C20	N21	C22	17.3°	16.7°
C11	C20	C19	C14	2.0°	1.0°
C20	C11	C12	H7	179.2°	179.7°
C11	C20	C19	H8	178.1°	178.4°
C11	C20	N21	H10	162.7°	163.2°
F16	C15	C14	C13	114.6°	120.0°
F16	C15	C14	C19	62.2°	60.0°
F16	C15	C14	F17	118.4°	120.1°
F16	C15	C14	F18	120.8°	119.9°
F16	C15	F17	F18	120.4°	120.0°
C13	C14	C19	C20	2.5°	0.4°
C13	C14	C19	C15	176.7°	179.9°
C13	C14	C15	F17	3.8°	119.9°
C13	C14	C15	F18	124.6°	0.1°
C14	C13	C12	H7	178.7°	179.7°
C13	C14	C19	H8	177.5°	179.0°
C20	N21	C22	C09	1.1°	6.5°
C20	N21	C22	H10	180.0°	180.0°
C20	N21	C22	O23	180.0°	174.4°
N21	C20	C19	C14	179.2°	179.7°
N21	C20	C19	H8	0.7°	0.9°
C19	C20	N21	C22	163.9°	164.0°
C20	C19	C14	H8	180.0°	179.4°
C20	C19	C14	C15	179.2°	179.6°
C19	C20	N21	H10	16.1°	16.1°
C22	C09	C08	H6	118.6°	120.3°
C09	C22	N21	O23	178.9°	179.1°
C22	C09	C08	C06	70.0°	175.0°
C22	C09	C08	H4	169.6°	55.0°
C22	C09	C08	H5	50.4°	65.0°
C09	C22	N21	H10	178.9°	173.5°
C08	C09	C22	N21	85.8°	80.1°
C08	C09	C22	O23	93.1°	99.0°
C09	C08	C06	H4	120.4°	120.0°
C09	C08	C06	H5	120.4°	119.9°
C09	C08	C06	O07	31.2°	0.1°
C09	C08	C06	N05	148.7°	180.0°
C09	C08	H4	H5	118.7°	120.0°
N21	C22	C09	H6	155.6°	159.5°
O23	C22	C09	H6	25.6°	21.3°
O23	C22	N21	H10	0.0°	5.6°
C19	C14	C15	F17	179.4°	60.0°
C19	C14	C15	F18	58.6°	180.0°
C19	C14	C13	H1	177.8°	179.6°
C14	C15	F17	F18	123.0°	120.0°
C15	C14	C13	H1	1.1°	0.4°
C15	C14	C19	H8	0.8°	1.0°
C08	C06	O07	N05	179.9°	179.9°
C08	C06	N05	C04	179.3°	180.0°
C06	C08	H4	H5	118.8°	120.0°
C06	C08	C09	H6	48.6°	54.7°
C08	C06	N05	H9	0.7°	0.1°
O07	C06	N05	C04	0.6°	0.1°
O07	C06	C08	H4	89.2°	120.0°
O07	C06	C08	H5	151.6°	120.0°
O07	C06	N05	H9	179.3°	180.0°
C06	N05	C04	H9	180.0°	179.9°
C06	N05	C04	C02	92.8°	179.9°
C06	N05	C04	H2	147.1°	60.0°
C06	N05	C04	H3	27.3°	60.0°
N05	C06	C08	H4	90.9°	60.0°
N05	C06	C08	H5	28.3°	60.1°
N05	C04	C02	H2	120.1°	119.9°
N05	C04	C02	H3	120.1°	120.0°
N05	C04	C02	O01	12.4°	0.0°
N05	C04	C02	O03	168.0°	180.0°
N05	C04	H2	H3	119.7°	120.0°
C04	C02	O01	O03	179.6°	180.0°
C02	C04	H2	H3	119.7°	120.0°
C02	C04	N05	H9	87.2°	0.0°
C04	C02	O03	H11	179.7°	179.9°
O01	C02	C04	H2	107.7°	120.0°
O01	C02	C04	H3	132.5°	120.0°
O01	C02	O03	H11	0.0°	0.0°
O03	C02	C04	H2	71.9°	60.1°
O03	C02	C04	H3	47.9°	60.0°
H1	C13	C12	H7	1.3°	0.5°
H2	C04	N05	H9	32.9°	120.0°
H3	C04	N05	H9	152.7°	120.0°
H4	C08	C09	H6	71.8°	65.3°
H5	C08	C09	H6	169.0°	174.7°

Release date:	2026-05-20
Definition date:	2025-08-22
Last modified:	2026-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	7IP9