A1CDH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.53Å	1.53Å
C02	O03	sing	1.43Å	1.40Å
O03	C04	sing	1.36Å	1.40Å
O08	C07	doub	1.21Å	1.19Å
C05	C04	doub	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.40Å	1.38Å	Aromatic
C04	C27	sing	1.39Å	1.40Å	Aromatic
C07	C06	sing	1.48Å	1.53Å
C07	N09	sing	1.35Å	1.45Å
C06	C23	doub	1.40Å	1.38Å	Aromatic
N10	N09	sing	1.40Å	1.42Å
N10	S11	sing	1.66Å	1.70Å
O12	S11	doub	1.42Å	1.47Å
C27	C25	doub	1.38Å	1.39Å	Aromatic
S11	O13	doub	1.42Å	1.47Å
S11	C14	sing	1.76Å	1.80Å
C23	C25	sing	1.38Å	1.38Å	Aromatic
C23	F24	sing	1.35Å	1.37Å
C25	C26	sing	1.51Å	1.52Å
C14	C15	doub	1.32Å	1.43Å	Aromatic
C14	S18	sing	1.75Å	1.67Å	Aromatic
C15	C16	sing	1.45Å	1.49Å	Aromatic
S18	C17	sing	1.76Å	1.68Å	Aromatic
C16	C17	doub	1.40Å	1.40Å	Aromatic
C16	C22	sing	1.41Å	1.41Å	Aromatic
C17	C19	sing	1.40Å	1.40Å	Aromatic
C22	C21	doub	1.36Å	1.39Å	Aromatic
C19	C20	doub	1.38Å	1.40Å	Aromatic
C21	C20	sing	1.39Å	1.40Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
C22	H4	sing	1.08Å	1.08Å
C26	H5	sing	1.09Å	1.10Å
C26	H6	sing	1.09Å	1.10Å
C26	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C01	H9	sing	1.09Å	1.10Å
C01	H10	sing	1.09Å	1.10Å
C02	H11	sing	1.09Å	1.10Å
C02	H12	sing	1.09Å	1.10Å
C05	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
C27	H15	sing	1.08Å	1.08Å
N09	H16	sing	0.97Å	1.00Å
N10	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	O03	107.1°	109.5°
C02	C01	H8	109.5°	109.5°
C02	C01	H9	109.5°	109.4°
C02	C01	H10	109.5°	109.5°
C01	C02	H11	110.1°	109.4°
C01	C02	H12	110.0°	109.5°
C02	O03	C04	116.7°	117.0°
O03	C02	H11	110.1°	109.5°
O03	C02	H12	110.1°	109.5°
O03	C04	C05	118.5°	119.9°
O03	C04	C27	120.9°	120.0°
O08	C07	C06	120.2°	120.1°
O08	C07	N09	120.4°	120.0°
C04	C05	C06	120.0°	119.8°
C05	C04	C27	120.5°	120.1°
C04	C05	H13	120.0°	120.1°
C05	C06	C07	119.3°	120.2°
C05	C06	C23	119.9°	119.7°
C06	C05	H13	120.0°	120.1°
C04	C27	C25	118.5°	120.3°
C04	C27	H15	120.7°	119.8°
C06	C07	N09	119.4°	120.0°
C07	C06	C23	120.9°	120.1°
C07	N09	N10	120.4°	120.0°
C07	N09	H16	119.8°	120.0°
C06	C23	C25	120.7°	119.8°
C06	C23	F24	121.0°	120.1°
N09	N10	S11	120.3°	120.0°
N10	N09	H16	119.8°	119.9°
N09	N10	H17	106.7°	120.0°
N10	S11	O12	112.0°	106.4°
N10	S11	O13	109.2°	106.4°
N10	S11	C14	116.1°	107.2°
S11	N10	H17	106.7°	120.0°
O12	S11	O13	103.4°	123.1°
O12	S11	C14	108.4°	106.4°
C27	C25	C23	120.4°	120.2°
C27	C25	C26	122.3°	119.9°
C25	C27	H15	120.8°	119.8°
O13	S11	C14	106.9°	106.4°
S11	C14	C15	122.8°	124.2°
S11	C14	S18	126.8°	124.3°
C25	C23	F24	118.3°	120.1°
C23	C25	C26	117.4°	119.9°
C25	C26	H5	109.5°	109.5°
C25	C26	H6	109.5°	109.4°
C25	C26	H7	109.5°	109.5°
C15	C14	S18	110.3°	111.4°
C14	C15	C16	108.5°	114.9°
C14	C15	H1	125.8°	122.6°
C14	S18	C17	98.5°	92.2°
C15	C16	C17	115.2°	111.8°
C15	C16	C22	123.0°	129.3°
C16	C15	H1	125.7°	122.6°
S18	C17	C16	107.4°	109.7°
S18	C17	C19	133.5°	130.5°
C17	C16	C22	121.8°	118.8°
C16	C17	C19	119.0°	119.8°
C16	C22	C21	118.6°	120.4°
C16	C22	H4	120.7°	119.7°
C17	C19	C20	119.5°	120.2°
C17	C19	H14	120.2°	119.9°
C22	C21	C20	119.8°	120.6°
C22	C21	H3	120.1°	119.6°
C21	C22	H4	120.7°	119.8°
C19	C20	C21	121.2°	120.2°
C19	C20	H2	119.4°	119.9°
C20	C19	H14	120.3°	119.9°
C21	C20	H2	119.4°	119.9°
C20	C21	H3	120.1°	119.7°
H5	C26	H6	109.5°	109.5°
H5	C26	H7	109.5°	109.4°
H6	C26	H7	109.4°	109.4°
H8	C01	H9	109.5°	109.5°
H8	C01	H10	109.5°	109.5°
H9	C01	H10	109.4°	109.5°
H11	C02	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	O03	H11	119.7°	120.0°
C01	C02	O03	H12	119.6°	120.0°
C01	C02	O03	C04	168.8°	180.0°
C02	C01	H8	H9	120.0°	119.9°
C02	C01	H8	H10	120.0°	120.0°
C02	C01	H9	H10	120.0°	120.0°
C01	C02	H11	H12	121.1°	120.0°
C02	O03	C04	C05	83.5°	0.2°
C02	O03	C04	C27	99.4°	180.0°
O03	C02	C01	H8	180.0°	60.0°
O03	C02	C01	H9	60.0°	60.0°
O03	C02	C01	H10	60.0°	180.0°
O03	C02	H11	H12	121.1°	120.0°
O03	C04	C05	C27	177.1°	179.8°
O03	C04	C05	C06	178.4°	179.7°
O03	C04	C27	C25	178.3°	179.8°
C04	O03	C02	H11	49.1°	60.0°
C04	O03	C02	H12	71.6°	60.0°
O03	C04	C05	H13	1.6°	0.2°
O03	C04	C27	H15	1.7°	0.2°
O08	C07	C06	C05	37.4°	180.0°
O08	C07	C06	N09	179.4°	180.0°
O08	C07	C06	C23	143.2°	0.1°
O08	C07	N09	N10	0.0°	0.0°
O08	C07	N09	H16	180.0°	180.0°
C04	C05	C06	H13	180.0°	179.9°
C04	C05	C06	C07	178.5°	179.9°
C04	C05	C06	C23	0.9°	0.0°
C05	C04	C27	C25	1.3°	0.0°
C05	C04	C27	H15	178.7°	180.0°
C06	C05	C04	C27	1.3°	0.1°
C05	C06	C07	C23	179.4°	180.0°
C05	C06	C07	N09	141.9°	0.0°
C05	C06	C23	C25	0.5°	0.0°
C05	C06	C23	F24	179.9°	180.0°
C04	C27	C25	H15	180.0°	180.0°
C04	C27	C25	C23	1.0°	0.0°
C04	C27	C25	C26	179.6°	180.0°
C27	C04	C05	H13	178.7°	180.0°
C06	C07	N09	N10	179.4°	180.0°
C07	C06	C23	C25	178.9°	180.0°
C07	C06	C23	F24	0.5°	0.1°
C07	C06	C05	H13	1.5°	0.0°
C06	C07	N09	H16	0.6°	0.0°
N09	C07	C06	C23	37.5°	180.0°
C07	N09	N10	H16	180.0°	180.0°
C07	N09	N10	S11	99.3°	125.0°
C07	N09	N10	H17	139.2°	55.0°
C06	C23	C25	C27	0.6°	0.1°
C06	C23	C25	F24	179.5°	179.9°
C06	C23	C25	C26	180.0°	180.0°
C23	C06	C05	H13	179.1°	180.0°
N09	N10	S11	H17	121.5°	180.0°
N09	N10	S11	O12	155.4°	53.5°
N09	N10	S11	O13	41.5°	173.6°
N09	N10	S11	C14	79.4°	60.0°
N10	S11	O12	O13	117.4°	123.0°
N10	S11	O12	C14	129.4°	114.1°
N10	S11	O13	C14	126.3°	114.1°
N10	S11	C14	C15	128.9°	90.0°
N10	S11	C14	S18	52.5°	90.0°
S11	N10	N09	H16	80.7°	55.0°
O12	S11	O13	C14	114.2°	122.9°
O12	S11	C14	C15	1.8°	156.5°
O12	S11	C14	S18	179.6°	23.6°
O12	S11	N10	H17	83.1°	126.5°
C27	C25	C23	C26	179.5°	179.9°
C27	C25	C23	F24	180.0°	180.0°
C27	C25	C26	H5	90.3°	90.0°
C27	C25	C26	H6	149.7°	30.0°
C27	C25	C26	H7	29.7°	150.0°
O13	S11	C14	C15	109.1°	23.6°
O13	S11	C14	S18	69.6°	156.4°
O13	S11	N10	H17	163.0°	6.4°
S11	C14	C15	S18	178.8°	180.0°
S11	C14	C15	C16	179.0°	180.0°
S11	C14	S18	C17	178.9°	179.8°
S11	C14	C15	H1	1.0°	0.2°
C14	S11	N10	H17	42.1°	120.0°
C23	C25	C26	H5	90.2°	89.9°
C23	C25	C26	H6	29.8°	150.0°
C23	C25	C26	H7	149.7°	30.1°
C23	C25	C27	H15	179.0°	180.0°
F24	C23	C25	C26	0.5°	0.1°
C25	C26	H5	H6	120.0°	120.0°
C25	C26	H5	H7	120.0°	120.0°
C25	C26	H6	H7	120.0°	120.0°
C26	C25	C27	H15	0.4°	0.0°
C14	C15	C16	H1	180.0°	179.7°
C15	C14	S18	C17	0.1°	0.2°
C14	C15	C16	C17	0.2°	0.3°
C14	C15	C16	C22	179.8°	179.7°
S18	C14	C15	C16	0.2°	0.0°
C14	S18	C17	C16	0.0°	0.3°
C14	S18	C17	C19	179.3°	179.9°
S18	C14	C15	H1	179.8°	179.7°
C15	C16	C17	S18	0.2°	0.4°
C15	C16	C17	C22	179.6°	180.0°
C15	C16	C17	C19	179.3°	180.0°
C15	C16	C22	C21	179.8°	180.0°
C15	C16	C22	H4	0.2°	0.0°
S18	C17	C16	C19	179.4°	179.6°
S18	C17	C16	C22	179.7°	179.6°
S18	C17	C19	C20	179.8°	179.5°
S18	C17	C19	H14	0.2°	0.5°
C17	C16	C22	C21	0.3°	0.0°
C16	C17	C19	C20	0.6°	0.0°
C17	C16	C15	H1	179.8°	180.0°
C17	C16	C22	H4	179.7°	180.0°
C16	C17	C19	H14	179.5°	180.0°
C22	C16	C17	C19	0.3°	0.0°
C16	C22	C21	H4	180.0°	180.0°
C16	C22	C21	C20	0.5°	0.0°
C22	C16	C15	H1	0.2°	0.0°
C16	C22	C21	H3	179.5°	179.9°
C17	C19	C20	H14	180.0°	180.0°
C17	C19	C20	C21	0.3°	0.0°
C17	C19	C20	H2	179.7°	180.0°
C22	C21	C20	C19	0.3°	0.0°
C22	C21	C20	H3	180.0°	179.9°
C22	C21	C20	H2	179.7°	180.0°
C19	C20	C21	H2	180.0°	180.0°
C19	C20	C21	H3	179.7°	179.9°
C20	C21	C22	H4	179.5°	180.0°
C21	C20	C19	H14	179.7°	180.0°
H2	C20	C21	H3	0.3°	0.1°
H2	C20	C19	H14	0.3°	0.0°
H3	C21	C22	H4	0.5°	0.1°
H5	C26	H6	H7	120.0°	120.0°
H8	C01	H9	H10	120.0°	120.0°
H8	C01	C02	H11	60.3°	60.0°
H8	C01	C02	H12	60.4°	180.0°
H9	C01	C02	H11	59.7°	180.0°
H9	C01	C02	H12	179.6°	60.0°
H10	C01	C02	H11	179.6°	60.0°
H10	C01	C02	H12	59.7°	60.0°
H16	N09	N10	H17	40.8°	125.0°

Release date:	2026-02-11
Definition date:	2025-05-21
Last modified:	2026-02-06
Release status:	REL
Processing site:	RCSB
Derived from:	9OOE