A1CEJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C06	C07	doub	1.39Å	1.41Å	Aromatic
C06	C05	sing	1.36Å	1.37Å	Aromatic
C07	C08	sing	1.36Å	1.36Å	Aromatic
C05	C04	doub	1.40Å	1.44Å	Aromatic
C08	C09	doub	1.41Å	1.45Å	Aromatic
C04	C09	sing	1.42Å	1.38Å	Aromatic
C04	C03	sing	1.41Å	1.43Å	Aromatic
C09	C10	sing	1.41Å	1.44Å	Aromatic
C03	C02	doub	1.36Å	1.37Å	Aromatic
C10	C11	doub	1.37Å	1.37Å	Aromatic
C02	C11	sing	1.40Å	1.46Å	Aromatic
C02	C01	sing	1.51Å	1.49Å
C11	O12	sing	1.36Å	1.36Å
C10	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.08Å	1.08Å
C05	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
O12	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C06	C05	120.0°	121.0°
C06	C07	C08	119.7°	121.0°
C07	C06	H7	120.0°	119.5°
C06	C07	H8	120.1°	119.5°
C06	C05	C04	121.4°	119.7°
C06	C05	H6	119.3°	120.1°
C05	C06	H7	120.0°	119.6°
C07	C08	C09	121.3°	119.7°
C08	C07	H8	120.1°	119.5°
C07	C08	H9	119.4°	120.1°
C05	C04	C09	118.6°	119.3°
C05	C04	C03	122.2°	121.2°
C04	C05	H6	119.3°	120.2°
C08	C09	C04	118.9°	119.4°
C08	C09	C10	121.5°	121.2°
C09	C08	H9	119.3°	120.2°
C09	C04	C03	119.3°	119.5°
C04	C09	C10	119.5°	119.4°
C04	C03	C02	122.7°	119.7°
C04	C03	H5	118.6°	120.1°
C09	C10	C11	120.0°	119.6°
C09	C10	H1	120.0°	120.2°
C03	C02	C11	117.0°	120.9°
C03	C02	C01	122.0°	119.6°
C02	C03	H5	118.7°	120.2°
C10	C11	C02	121.5°	120.9°
C10	C11	O12	122.4°	119.6°
C11	C10	H1	120.0°	120.2°
C11	C02	C01	121.0°	119.5°
C02	C11	O12	116.1°	119.6°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.5°
C11	O12	H10	109.5°	114.0°
H2	C01	H3	109.5°	109.4°
H2	C01	H4	109.4°	109.5°
H3	C01	H4	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C06	C05	H7	180.0°	180.0°
C06	C07	C08	H8	180.0°	179.9°
C07	C06	C05	C04	0.0°	0.1°
C06	C07	C08	C09	1.2°	0.0°
C07	C06	C05	H6	180.0°	179.9°
C06	C07	C08	H9	178.8°	180.0°
C05	C06	C07	C08	0.7°	0.0°
C06	C05	C04	H6	180.0°	179.9°
C06	C05	C04	C09	0.2°	0.1°
C06	C05	C04	C03	179.7°	179.5°
C05	C06	C07	H8	179.3°	180.0°
C07	C08	C09	H9	180.0°	180.0°
C07	C08	C09	C04	0.9°	0.0°
C07	C08	C09	C10	178.5°	179.9°
C08	C07	C06	H7	179.3°	180.0°
C05	C04	C09	C08	0.2°	0.1°
C05	C04	C09	C03	179.5°	179.4°
C05	C04	C09	C10	179.2°	179.9°
C05	C04	C03	C02	179.9°	179.8°
C05	C04	C03	H5	0.1°	0.3°
C04	C05	C06	H7	180.0°	179.9°
C08	C09	C04	C10	179.4°	180.0°
C08	C09	C04	C03	179.3°	179.4°
C08	C09	C10	C11	178.7°	180.0°
C08	C09	C10	H1	1.3°	0.4°
C09	C08	C07	H8	178.8°	179.9°
C09	C04	C03	C02	0.6°	0.8°
C04	C09	C10	C11	1.9°	0.0°
C04	C09	C10	H1	178.1°	179.7°
C09	C04	C03	H5	179.4°	179.7°
C09	C04	C05	H6	179.8°	179.9°
C04	C09	C08	H9	179.0°	180.0°
C03	C04	C09	C10	1.2°	0.5°
C04	C03	C02	H5	180.0°	179.5°
C04	C03	C02	C11	0.5°	0.6°
C04	C03	C02	C01	179.9°	179.5°
C03	C04	C05	H6	0.2°	0.7°
C09	C10	C11	H1	180.0°	179.7°
C09	C10	C11	C02	1.8°	0.2°
C09	C10	C11	O12	179.4°	179.7°
C10	C09	C08	H9	1.5°	0.1°
C03	C02	C11	C10	1.1°	0.1°
C03	C02	C11	C01	179.4°	179.9°
C03	C02	C11	O12	179.9°	180.0°
C03	C02	C01	H2	90.3°	89.9°
C03	C02	C01	H3	149.7°	30.0°
C03	C02	C01	H4	29.7°	150.0°
C10	C11	C02	O12	178.8°	179.9°
C10	C11	C02	C01	179.5°	180.0°
C10	C11	O12	H10	180.0°	90.0°
C02	C11	C10	H1	178.2°	179.9°
C11	C02	C01	H2	90.3°	90.0°
C11	C02	C01	H3	29.7°	150.0°
C11	C02	C01	H4	149.7°	30.0°
C11	C02	C03	H5	179.5°	179.9°
C02	C11	O12	H10	1.2°	90.0°
C01	C02	C11	O12	0.6°	0.1°
C02	C01	H2	H3	120.0°	120.0°
C02	C01	H2	H4	120.0°	120.1°
C02	C01	H3	H4	120.0°	120.0°
C01	C02	C03	H5	0.1°	0.0°
O12	C11	C10	H1	0.6°	0.0°
H2	C01	H3	H4	119.9°	120.0°
H6	C05	C06	H7	0.0°	0.1°
H7	C06	C07	H8	0.7°	0.1°
H8	C07	C08	H9	1.2°	0.1°

Release date:	2025-10-22
Definition date:	2025-05-28
Last modified:	2025-10-17
Release status:	REL
Processing site:	RCSB
Derived from:	7IB9