A1JC8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAW	CAV	doub	1.21Å	1.39Å	Aromatic
OAW	CAR	sing	1.34Å	1.41Å	Aromatic
CAV	OAU	sing	1.34Å	1.50Å	Aromatic
CAR	CAS	doub	1.40Å	1.33Å	Aromatic
CAR	CAQ	sing	1.41Å	1.34Å	Aromatic
CAS	CAT	sing	1.36Å	1.37Å	Aromatic
OAU	CAQ	sing	1.35Å	1.37Å	Aromatic
CAQ	CAP	doub	1.38Å	1.35Å	Aromatic
CAT	CAN	doub	1.40Å	1.41Å	Aromatic
CAP	CAN	sing	1.40Å	1.40Å	Aromatic
CAN	CAO	sing	1.47Å	1.41Å
CAO	CAL	doub	1.35Å	1.38Å
CAL	CAK	sing	1.42Å	1.51Å
CAK	OAM	doub	1.22Å	1.23Å
CAK	CAB	sing	1.48Å	1.42Å
CAC	CAB	doub	1.40Å	1.38Å	Aromatic
CAC	CAD	sing	1.38Å	1.38Å	Aromatic
CAB	CAA	sing	1.40Å	1.42Å	Aromatic
CAD	CAE	doub	1.38Å	1.39Å	Aromatic
CAA	CAF	doub	1.38Å	1.38Å	Aromatic
CAE	CAF	sing	1.38Å	1.40Å	Aromatic
CAF	CAG	sing	1.51Å	1.50Å
FAI	CAG	sing	1.40Å	1.23Å
FAJ	CAG	sing	1.40Å	1.30Å
CAG	FAH	sing	1.40Å	1.10Å
CAA	H1	sing	1.08Å	1.08Å
CAE	H2	sing	1.08Å	1.08Å
CAD	H3	sing	1.08Å	1.08Å
CAC	H4	sing	1.08Å	1.08Å
CAL	H5	sing	1.08Å	1.08Å
CAO	H6	sing	1.08Å	1.08Å
CAP	H7	sing	1.08Å	1.08Å
CAV	H8	sing	1.08Å	1.08Å
CAS	H9	sing	1.08Å	1.08Å
CAT	H10	sing	1.08Å	1.08Å
OAW	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAV	OAW	CAR	104.6°	110.8°
OAW	CAV	OAU	107.8°	112.0°
OAW	CAV	H8	126.1°	124.0°
CAV	OAW	H11	127.7°	124.6°
OAW	CAR	CAS	126.1°	134.3°
OAW	CAR	CAQ	113.0°	105.8°
CAR	OAW	H11	127.7°	124.6°
CAV	OAU	CAQ	105.2°	106.8°
OAU	CAV	H8	126.1°	124.0°
CAS	CAR	CAQ	120.9°	119.9°
CAR	CAS	CAT	121.0°	120.0°
CAR	CAS	H9	119.5°	120.0°
CAR	CAQ	OAU	109.1°	104.6°
CAR	CAQ	CAP	122.2°	120.2°
CAS	CAT	CAN	118.4°	120.5°
CAT	CAS	H9	119.5°	120.0°
CAS	CAT	H10	120.8°	119.8°
OAU	CAQ	CAP	128.6°	135.3°
CAQ	CAP	CAN	118.5°	119.5°
CAQ	CAP	H7	120.7°	120.3°
CAT	CAN	CAP	119.0°	120.0°
CAT	CAN	CAO	119.9°	120.0°
CAN	CAT	H10	120.8°	119.7°
CAP	CAN	CAO	120.6°	120.0°
CAN	CAP	H7	120.8°	120.3°
CAN	CAO	CAL	124.7°	120.0°
CAN	CAO	H6	117.7°	120.0°
CAO	CAL	CAK	119.7°	120.0°
CAO	CAL	H5	120.1°	120.0°
CAL	CAO	H6	117.7°	120.0°
CAL	CAK	OAM	116.5°	119.9°
CAL	CAK	CAB	123.1°	120.0°
CAK	CAL	H5	120.2°	120.0°
OAM	CAK	CAB	120.3°	120.0°
CAK	CAB	CAC	122.3°	120.1°
CAK	CAB	CAA	119.3°	120.2°
CAB	CAC	CAD	118.2°	119.8°
CAC	CAB	CAA	118.4°	119.7°
CAB	CAC	H4	120.9°	120.1°
CAC	CAD	CAE	123.7°	120.2°
CAC	CAD	H3	118.2°	119.9°
CAD	CAC	H4	120.9°	120.1°
CAB	CAA	CAF	123.4°	119.9°
CAB	CAA	H1	118.3°	120.1°
CAD	CAE	CAF	119.2°	120.3°
CAD	CAE	H2	120.4°	119.9°
CAE	CAD	H3	118.2°	119.9°
CAA	CAF	CAE	117.1°	120.1°
CAA	CAF	CAG	123.8°	119.9°
CAF	CAA	H1	118.3°	120.1°
CAE	CAF	CAG	119.1°	119.9°
CAF	CAE	H2	120.4°	119.9°
CAF	CAG	FAI	103.7°	109.5°
CAF	CAG	FAJ	109.1°	109.5°
CAF	CAG	FAH	107.4°	109.4°
FAI	CAG	FAJ	109.3°	109.5°
FAI	CAG	FAH	112.5°	109.4°
FAJ	CAG	FAH	114.3°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAV	OAW	CAR	H11	180.0°	180.0°
OAW	CAV	OAU	H8	180.0°	180.0°
CAV	OAW	CAR	CAS	178.7°	180.0°
CAV	OAW	CAR	CAQ	3.3°	0.0°
OAW	CAV	OAU	CAQ	4.9°	0.0°
CAR	OAW	CAV	OAU	4.9°	0.0°
OAW	CAR	CAS	CAQ	177.8°	180.0°
OAW	CAR	CAS	CAT	179.4°	179.8°
OAW	CAR	CAQ	OAU	0.2°	0.0°
OAW	CAR	CAQ	CAP	176.9°	179.9°
CAR	OAW	CAV	H8	175.1°	180.0°
OAW	CAR	CAS	H9	0.6°	0.0°
CAV	OAU	CAQ	CAR	2.8°	0.0°
CAV	OAU	CAQ	CAP	179.7°	179.9°
OAU	CAV	OAW	H11	175.1°	180.0°
CAR	CAS	CAT	H9	180.0°	179.8°
CAS	CAR	CAQ	OAU	178.3°	180.0°
CAS	CAR	CAQ	CAP	1.1°	0.1°
CAR	CAS	CAT	CAN	3.6°	0.5°
CAR	CAS	CAT	H10	176.4°	180.0°
CAS	CAR	OAW	H11	1.3°	0.0°
CAQ	CAR	CAS	CAT	1.6°	0.2°
CAR	CAQ	OAU	CAP	176.9°	179.9°
CAR	CAQ	CAP	CAN	1.8°	0.1°
CAR	CAQ	CAP	H7	178.2°	180.0°
CAQ	CAR	CAS	H9	178.4°	180.0°
CAQ	CAR	OAW	H11	176.6°	180.0°
CAS	CAT	CAN	H10	180.0°	179.5°
CAS	CAT	CAN	CAP	2.9°	0.5°
CAS	CAT	CAN	CAO	175.0°	179.7°
OAU	CAQ	CAP	CAN	178.3°	179.9°
OAU	CAQ	CAP	H7	1.7°	0.1°
CAQ	OAU	CAV	H8	175.1°	179.9°
CAQ	CAP	CAN	CAT	0.3°	0.2°
CAQ	CAP	CAN	H7	180.0°	179.9°
CAQ	CAP	CAN	CAO	172.4°	180.0°
CAT	CAN	CAP	CAO	172.1°	179.8°
CAT	CAN	CAO	CAL	12.2°	0.2°
CAT	CAN	CAO	H6	167.8°	179.7°
CAT	CAN	CAP	H7	179.7°	179.7°
CAN	CAT	CAS	H9	176.4°	179.7°
CAP	CAN	CAO	CAL	175.8°	180.0°
CAP	CAN	CAO	H6	4.2°	0.1°
CAP	CAN	CAT	H10	177.1°	180.0°
CAN	CAO	CAL	H6	180.0°	179.9°
CAN	CAO	CAL	CAK	171.3°	180.0°
CAN	CAO	CAL	H5	8.7°	0.1°
CAO	CAN	CAP	H7	7.6°	0.0°
CAO	CAN	CAT	H10	5.0°	0.2°
CAO	CAL	CAK	H5	180.0°	179.9°
CAO	CAL	CAK	OAM	6.7°	0.0°
CAO	CAL	CAK	CAB	175.3°	180.0°
CAL	CAK	OAM	CAB	178.1°	180.0°
CAL	CAK	CAB	CAC	13.6°	0.0°
CAL	CAK	CAB	CAA	168.5°	179.8°
CAK	CAL	CAO	H6	8.7°	0.1°
OAM	CAK	CAB	CAC	168.4°	180.0°
OAM	CAK	CAB	CAA	9.4°	0.2°
OAM	CAK	CAL	H5	173.3°	179.9°
CAK	CAB	CAC	CAA	177.9°	179.7°
CAK	CAB	CAC	CAD	178.5°	180.0°
CAK	CAB	CAA	CAF	177.5°	179.7°
CAK	CAB	CAA	H1	2.5°	0.2°
CAK	CAB	CAC	H4	1.5°	0.3°
CAB	CAK	CAL	H5	4.7°	0.1°
CAB	CAC	CAD	H4	180.0°	179.8°
CAB	CAC	CAD	CAE	1.1°	0.3°
CAC	CAB	CAA	CAF	0.5°	0.1°
CAC	CAB	CAA	H1	179.6°	180.0°
CAB	CAC	CAD	H3	178.9°	179.7°
CAD	CAC	CAB	CAA	0.6°	0.2°
CAC	CAD	CAE	H3	180.0°	180.0°
CAC	CAD	CAE	CAF	0.5°	0.0°
CAC	CAD	CAE	H2	179.5°	180.0°
CAB	CAA	CAF	H1	180.0°	179.9°
CAB	CAA	CAF	CAE	1.0°	0.3°
CAB	CAA	CAF	CAG	178.6°	179.9°
CAA	CAB	CAC	H4	179.4°	180.0°
CAD	CAE	CAF	CAA	0.5°	0.2°
CAD	CAE	CAF	H2	180.0°	180.0°
CAD	CAE	CAF	CAG	178.2°	179.9°
CAE	CAD	CAC	H4	178.9°	179.9°
CAA	CAF	CAE	CAG	177.7°	179.7°
CAA	CAF	CAG	FAI	134.7°	29.9°
CAA	CAF	CAG	FAJ	18.3°	150.0°
CAA	CAF	CAG	FAH	106.0°	90.0°
CAA	CAF	CAE	H2	179.5°	179.7°
CAE	CAF	CAG	FAI	42.8°	149.7°
CAE	CAF	CAG	FAJ	159.2°	29.7°
CAE	CAF	CAG	FAH	76.4°	90.3°
CAE	CAF	CAA	H1	179.0°	179.8°
CAF	CAE	CAD	H3	179.5°	180.0°
CAF	CAG	FAI	FAJ	116.2°	120.1°
CAF	CAG	FAI	FAH	115.7°	120.0°
CAF	CAG	FAJ	FAH	120.2°	120.0°
CAG	CAF	CAA	H1	1.4°	0.1°
CAG	CAF	CAE	H2	1.8°	0.1°
FAI	CAG	FAJ	FAH	127.0°	119.9°
H2	CAE	CAD	H3	0.5°	0.0°
H3	CAD	CAC	H4	1.1°	0.1°
H5	CAL	CAO	H6	171.3°	180.0°
H8	CAV	OAW	H11	4.9°	0.0°
H9	CAS	CAT	H10	3.6°	0.2°

Release date:	2025-08-13
Definition date:	2025-05-12
Last modified:	2025-08-08
Release status:	REL
Processing site:	PDBE
Derived from:	9R3J