A1BDC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAH	CAD	sing	1.51Å	1.51Å
OAG	CAE	sing	1.36Å	1.37Å
OAU	CAR	doub	1.22Å	1.34Å
CAD	CAE	doub	1.36Å	1.36Å
CAD	NAC	sing	1.36Å	1.27Å
CAE	CAF	sing	1.42Å	1.36Å
NAC	CAB	sing	1.35Å	1.27Å
CAR	OAT	sing	1.35Å	1.23Å
CAR	CAQ	sing	1.41Å	1.39Å
NAP	CAQ	doub	1.34Å	1.27Å
NAP	CAO	sing	1.31Å	1.28Å
CAF	CAO	doub	1.41Å	1.36Å
CAF	CAA	sing	1.41Å	1.37Å
CAQ	CAS	sing	1.47Å	1.33Å
CAB	CAA	doub	1.35Å	1.35Å
CAA	CAI	sing	1.51Å	1.51Å
OAJ	CAI	sing	1.43Å	1.43Å
OAJ	PAK	sing	1.61Å	1.61Å
CAV	CAS	doub	1.33Å	1.33Å
CAV	CAW	sing	1.51Å	1.49Å
OAN	PAK	doub	1.48Å	1.62Å
PAK	OAM	sing	1.61Å	1.50Å
PAK	OAL	sing	1.61Å	1.62Å
OAL	H1	sing	0.97Å	0.95Å
OAM	H2	sing	0.97Å	0.95Å
CAI	H3	sing	1.09Å	1.10Å
CAI	H4	sing	1.09Å	1.10Å
CAB	H5	sing	1.08Å	1.08Å
CAH	H6	sing	1.09Å	1.10Å
CAH	H7	sing	1.09Å	1.10Å
CAH	H8	sing	1.09Å	1.10Å
OAG	H9	sing	0.97Å	0.95Å
CAO	H10	sing	1.08Å	1.08Å
OAT	H12	sing	0.97Å	0.95Å
CAS	H13	sing	1.08Å	1.08Å
CAV	H14	sing	1.08Å	1.08Å
CAW	H15	sing	1.09Å	1.10Å
CAW	H16	sing	1.09Å	1.10Å
CAW	H17	sing	1.09Å	1.10Å
NAC	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAH	CAD	CAE	120.6°	119.7°
CAH	CAD	NAC	120.4°	119.7°
CAD	CAH	H6	109.5°	109.5°
CAD	CAH	H7	109.5°	109.4°
CAD	CAH	H8	109.4°	109.5°
OAG	CAE	CAD	117.3°	120.4°
OAG	CAE	CAF	123.8°	120.4°
CAE	OAG	H9	109.5°	114.0°
OAU	CAR	OAT	110.4°	120.0°
OAU	CAR	CAQ	127.0°	120.0°
CAE	CAD	NAC	119.0°	120.6°
CAD	CAE	CAF	118.9°	119.1°
CAD	NAC	CAB	124.8°	121.5°
CAD	NAC	H18	117.6°	119.2°
CAE	CAF	CAO	119.9°	120.6°
CAE	CAF	CAA	118.7°	118.7°
NAC	CAB	CAA	120.5°	120.8°
NAC	CAB	H5	119.7°	119.6°
CAB	NAC	H18	117.6°	119.3°
OAT	CAR	CAQ	122.6°	120.0°
CAR	OAT	H12	109.5°	114.0°
CAR	CAQ	NAP	117.6°	120.0°
CAR	CAQ	CAS	120.8°	120.0°
CAQ	NAP	CAO	132.5°	120.0°
NAP	CAQ	CAS	121.6°	120.0°
NAP	CAO	CAF	124.8°	120.0°
NAP	CAO	H10	117.6°	120.0°
CAO	CAF	CAA	121.4°	120.7°
CAF	CAO	H10	117.6°	119.9°
CAF	CAA	CAB	118.1°	119.3°
CAF	CAA	CAI	124.7°	120.4°
CAQ	CAS	CAV	126.6°	120.0°
CAQ	CAS	H13	116.7°	120.0°
CAB	CAA	CAI	117.1°	120.3°
CAA	CAB	H5	119.8°	119.6°
CAA	CAI	OAJ	108.8°	109.5°
CAA	CAI	H3	109.7°	109.4°
CAA	CAI	H4	109.7°	109.5°
CAI	OAJ	PAK	122.3°	123.0°
OAJ	CAI	H3	109.6°	109.5°
OAJ	CAI	H4	109.6°	109.4°
OAJ	PAK	OAN	114.0°	109.4°
OAJ	PAK	OAM	116.3°	109.5°
OAJ	PAK	OAL	113.3°	109.5°
CAS	CAV	CAW	121.6°	120.0°
CAV	CAS	H13	116.7°	120.0°
CAS	CAV	H14	119.2°	120.0°
CAW	CAV	H14	119.2°	120.0°
CAV	CAW	H15	109.5°	109.5°
CAV	CAW	H16	109.5°	109.5°
CAV	CAW	H17	109.4°	109.5°
OAN	PAK	OAM	104.2°	109.5°
OAN	PAK	OAL	98.8°	109.5°
OAM	PAK	OAL	108.6°	109.5°
PAK	OAM	H2	109.5°	114.0°
PAK	OAL	H1	109.5°	114.0°
H3	CAI	H4	109.5°	109.5°
H6	CAH	H7	109.4°	109.4°
H6	CAH	H8	109.5°	109.5°
H7	CAH	H8	109.5°	109.4°
H15	CAW	H16	109.5°	109.4°
H15	CAW	H17	109.5°	109.5°
H16	CAW	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAH	CAD	CAE	OAG	1.3°	0.2°
CAH	CAD	CAE	NAC	178.2°	179.8°
CAH	CAD	CAE	CAF	180.0°	180.0°
CAH	CAD	NAC	CAB	179.9°	179.7°
CAD	CAH	H6	H7	120.0°	120.0°
CAD	CAH	H6	H8	120.0°	120.1°
CAD	CAH	H7	H8	120.0°	120.0°
CAH	CAD	NAC	H18	0.1°	0.2°
OAG	CAE	CAD	CAF	178.8°	179.7°
OAG	CAE	CAD	NAC	179.5°	180.0°
OAG	CAE	CAF	CAO	0.3°	0.3°
OAG	CAE	CAF	CAA	179.1°	179.7°
OAU	CAR	OAT	CAQ	177.7°	179.9°
OAU	CAR	CAQ	NAP	13.7°	175.5°
OAU	CAR	CAQ	CAS	166.7°	4.5°
OAU	CAR	OAT	H12	0.0°	0.1°
CAE	CAD	NAC	CAB	1.6°	0.0°
CAD	CAE	CAF	CAO	179.0°	180.0°
CAD	CAE	CAF	CAA	0.4°	0.5°
CAE	CAD	CAH	H6	180.0°	90.0°
CAE	CAD	CAH	H7	60.0°	150.0°
CAE	CAD	CAH	H8	60.0°	30.1°
CAD	CAE	OAG	H9	180.0°	0.1°
CAE	CAD	NAC	H18	178.4°	180.0°
NAC	CAD	CAE	CAF	1.8°	0.3°
CAD	NAC	CAB	H18	180.0°	180.0°
CAD	NAC	CAB	CAA	0.0°	0.0°
CAD	NAC	CAB	H5	180.0°	180.0°
NAC	CAD	CAH	H6	1.8°	89.7°
NAC	CAD	CAH	H7	118.2°	30.2°
NAC	CAD	CAH	H8	121.8°	150.2°
CAE	CAF	CAO	NAP	1.9°	0.0°
CAE	CAF	CAO	CAA	179.3°	179.4°
CAE	CAF	CAA	CAB	1.2°	0.5°
CAE	CAF	CAA	CAI	178.2°	179.7°
CAF	CAE	OAG	H9	1.3°	179.7°
CAE	CAF	CAO	H10	178.1°	180.0°
NAC	CAB	CAA	CAF	1.4°	0.3°
NAC	CAB	CAA	H5	180.0°	180.0°
NAC	CAB	CAA	CAI	178.7°	180.0°
OAT	CAR	CAQ	NAP	169.0°	4.6°
OAT	CAR	CAQ	CAS	10.6°	175.4°
CAR	CAQ	NAP	CAS	179.6°	180.0°
CAR	CAQ	NAP	CAO	177.6°	174.5°
CAR	CAQ	CAS	CAV	63.9°	6.4°
CAQ	CAR	OAT	H12	177.7°	180.0°
CAR	CAQ	CAS	H13	116.1°	173.7°
CAQ	NAP	CAO	CAF	169.6°	175.0°
NAP	CAQ	CAS	CAV	115.7°	173.6°
CAQ	NAP	CAO	H10	10.5°	5.0°
NAP	CAQ	CAS	H13	64.3°	6.3°
NAP	CAO	CAF	H10	180.0°	180.0°
NAP	CAO	CAF	CAA	177.4°	179.5°
CAO	NAP	CAQ	CAS	2.7°	5.5°
CAO	CAF	CAA	CAB	179.5°	180.0°
CAO	CAF	CAA	CAI	2.4°	0.3°
CAF	CAA	CAB	CAI	177.3°	179.8°
CAF	CAA	CAI	OAJ	75.5°	179.7°
CAF	CAA	CAI	H3	164.6°	59.7°
CAF	CAA	CAI	H4	44.4°	60.3°
CAF	CAA	CAB	H5	178.6°	179.8°
CAA	CAF	CAO	H10	2.6°	0.5°
CAQ	CAS	CAV	H13	180.0°	179.9°
CAQ	CAS	CAV	CAW	179.3°	172.8°
CAQ	CAS	CAV	H14	0.7°	7.1°
CAB	CAA	CAI	OAJ	101.6°	0.0°
CAB	CAA	CAI	H3	18.3°	120.0°
CAB	CAA	CAI	H4	138.5°	120.0°
CAA	CAB	NAC	H18	180.0°	180.0°
CAA	CAI	OAJ	H3	119.9°	120.0°
CAA	CAI	OAJ	H4	119.9°	120.0°
CAA	CAI	OAJ	PAK	162.3°	180.0°
CAA	CAI	H3	H4	120.3°	120.0°
CAI	CAA	CAB	H5	1.3°	0.0°
CAI	OAJ	PAK	OAN	145.4°	55.0°
CAI	OAJ	PAK	OAM	93.4°	175.0°
CAI	OAJ	PAK	OAL	33.5°	64.9°
OAJ	CAI	H3	H4	120.3°	120.0°
OAJ	PAK	OAN	OAM	127.7°	120.0°
OAJ	PAK	OAN	OAL	120.4°	120.0°
OAJ	PAK	OAM	OAL	129.1°	120.0°
OAJ	PAK	OAL	H1	120.9°	60.0°
OAJ	PAK	OAM	H2	126.3°	180.0°
PAK	OAJ	CAI	H3	77.8°	60.0°
PAK	OAJ	CAI	H4	42.4°	60.1°
CAS	CAV	CAW	H14	180.0°	180.0°
CAS	CAV	CAW	H15	180.0°	60.0°
CAS	CAV	CAW	H16	60.0°	60.0°
CAS	CAV	CAW	H17	60.0°	180.0°
CAW	CAV	CAS	H13	0.7°	7.2°
CAV	CAW	H15	H16	120.0°	120.0°
CAV	CAW	H15	H17	120.0°	120.1°
CAV	CAW	H16	H17	120.0°	120.0°
OAN	PAK	OAM	OAL	104.6°	120.0°
OAN	PAK	OAL	H1	0.0°	180.0°
OAN	PAK	OAM	H2	0.0°	60.0°
OAM	PAK	OAL	H1	108.3°	60.0°
OAL	PAK	OAM	H2	104.6°	60.0°
H5	CAB	NAC	H18	0.0°	0.0°
H6	CAH	H7	H8	120.0°	120.0°
H13	CAS	CAV	H14	179.3°	172.8°
H14	CAV	CAW	H15	0.0°	120.0°
H14	CAV	CAW	H16	120.0°	120.0°
H14	CAV	CAW	H17	120.0°	0.0°
H15	CAW	H16	H17	120.0°	119.9°

Release date:	2025-10-22
Definition date:	2024-10-14
Last modified:	2025-10-17
Release status:	REL
Processing site:	RCSB
Derived from:	9DS0