91C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAA	CAB	sing	1.38Å	1.38Å	Aromatic
CAA	CAC	doub	1.39Å	1.39Å	Aromatic
OAU	CAB	sing	1.36Å	1.36Å
OAT	CAC	sing	1.36Å	1.33Å
CAB	CAG	doub	1.40Å	1.38Å	Aromatic
CAC	CAD	sing	1.39Å	1.37Å	Aromatic
CAG	CAH	sing	1.47Å	1.38Å
CAG	CAE	sing	1.41Å	1.39Å	Aromatic
CAD	CAE	doub	1.38Å	1.37Å	Aromatic
OAK	CAH	doub	1.21Å	1.23Å
CAH	CAI	sing	1.52Å	1.39Å
CAE	OAF	sing	1.35Å	1.36Å
CAI	CAJ	sing	1.54Å	1.52Å
OAF	CAJ	sing	1.43Å	1.40Å
CAJ	CAL	sing	1.51Å	1.52Å
CAL	CAM	doub	1.38Å	1.39Å	Aromatic
CAL	CAN	sing	1.38Å	1.39Å	Aromatic
CAM	CAQ	sing	1.38Å	1.39Å	Aromatic
CAN	CAO	doub	1.38Å	1.39Å	Aromatic
CAQ	CLV	sing	1.74Å	1.75Å
CAQ	CAP	doub	1.39Å	1.39Å	Aromatic
CAO	CAP	sing	1.39Å	1.38Å	Aromatic
CAO	CLS	sing	1.74Å	1.76Å
CAP	OAR	sing	1.36Å	1.36Å
CAA	H1	sing	1.08Å	1.08Å
CAD	H2	sing	1.08Å	1.08Å
CAI	H3	sing	1.09Å	1.10Å
CAI	H4	sing	1.09Å	1.10Å
CAJ	H5	sing	1.09Å	1.10Å
CAM	H6	sing	1.08Å	1.08Å
CAN	H7	sing	1.08Å	1.08Å
OAR	H8	sing	0.97Å	0.95Å
OAT	H9	sing	0.97Å	0.95Å
OAU	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAB	CAA	CAC	118.1°	120.1°
CAA	CAB	OAU	122.9°	120.2°
CAA	CAB	CAG	120.6°	119.5°
CAB	CAA	H1	120.9°	120.0°
CAA	CAC	OAT	121.2°	119.7°
CAA	CAC	CAD	122.2°	120.6°
CAC	CAA	H1	121.0°	120.0°
OAU	CAB	CAG	116.5°	120.2°
CAB	OAU	H10	109.5°	114.1°
OAT	CAC	CAD	116.6°	119.7°
CAC	OAT	H9	109.5°	114.0°
CAB	CAG	CAH	119.6°	120.7°
CAB	CAG	CAE	119.4°	120.2°
CAC	CAD	CAE	118.7°	120.3°
CAC	CAD	H2	120.7°	119.9°
CAH	CAG	CAE	120.9°	119.1°
CAG	CAH	OAK	120.5°	121.7°
CAG	CAH	CAI	117.4°	116.6°
CAG	CAE	CAD	121.0°	119.3°
CAG	CAE	OAF	119.8°	120.7°
CAD	CAE	OAF	119.2°	120.0°
CAE	CAD	H2	120.7°	119.9°
OAK	CAH	CAI	122.0°	121.7°
CAH	CAI	CAJ	109.1°	107.2°
CAH	CAI	H3	109.6°	109.9°
CAH	CAI	H4	109.6°	109.9°
CAE	OAF	CAJ	113.7°	118.7°
CAI	CAJ	OAF	108.6°	109.3°
CAI	CAJ	CAL	112.4°	109.5°
CAJ	CAI	H3	109.6°	109.9°
CAJ	CAI	H4	109.5°	109.9°
CAI	CAJ	H5	109.3°	109.5°
OAF	CAJ	CAL	106.5°	109.5°
OAF	CAJ	H5	110.9°	109.5°
CAJ	CAL	CAM	118.1°	120.0°
CAJ	CAL	CAN	121.2°	120.0°
CAL	CAJ	H5	109.2°	109.5°
CAM	CAL	CAN	120.7°	120.1°
CAL	CAM	CAQ	120.2°	120.1°
CAL	CAM	H6	119.9°	119.9°
CAL	CAN	CAO	119.6°	120.1°
CAL	CAN	H7	120.2°	120.0°
CAM	CAQ	CLV	119.8°	120.0°
CAM	CAQ	CAP	118.2°	119.9°
CAQ	CAM	H6	119.9°	120.0°
CAN	CAO	CAP	118.7°	119.9°
CAN	CAO	CLS	121.3°	120.0°
CAO	CAN	H7	120.2°	120.0°
CLV	CAQ	CAP	121.9°	120.0°
CAQ	CAP	CAO	122.6°	119.9°
CAQ	CAP	OAR	119.1°	120.0°
CAP	CAO	CLS	120.1°	120.0°
CAO	CAP	OAR	118.3°	120.1°
CAP	OAR	H8	109.5°	114.0°
H3	CAI	H4	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAB	CAA	CAC	H1	180.0°	179.8°
CAA	CAB	OAU	CAG	179.9°	180.0°
CAB	CAA	CAC	OAT	180.0°	179.9°
CAB	CAA	CAC	CAD	0.3°	0.1°
CAA	CAB	CAG	CAH	178.7°	179.4°
CAA	CAB	CAG	CAE	0.6°	0.3°
CAA	CAB	OAU	H10	179.2°	90.0°
CAC	CAA	CAB	OAU	179.9°	179.9°
CAA	CAC	OAT	CAD	179.7°	180.0°
CAC	CAA	CAB	CAG	0.2°	0.1°
CAA	CAC	CAD	CAE	0.3°	0.1°
CAA	CAC	CAD	H2	179.7°	180.0°
CAA	CAC	OAT	H9	180.0°	89.9°
OAU	CAB	CAG	CAH	1.4°	0.6°
OAU	CAB	CAG	CAE	179.5°	179.7°
OAU	CAB	CAA	H1	0.1°	0.3°
OAT	CAC	CAD	CAE	180.0°	179.9°
OAT	CAC	CAA	H1	0.0°	0.1°
OAT	CAC	CAD	H2	0.0°	0.0°
CAB	CAG	CAH	CAE	178.1°	179.8°
CAB	CAG	CAE	CAD	0.6°	0.4°
CAB	CAG	CAH	OAK	4.6°	11.9°
CAB	CAG	CAH	CAI	171.0°	168.0°
CAB	CAG	CAE	OAF	179.8°	179.4°
CAG	CAB	CAA	H1	179.8°	179.7°
CAG	CAB	OAU	H10	0.8°	90.0°
CAC	CAD	CAE	CAG	0.1°	0.1°
CAC	CAD	CAE	H2	180.0°	179.9°
CAC	CAD	CAE	OAF	179.7°	179.7°
CAD	CAC	CAA	H1	179.7°	179.9°
CAD	CAC	OAT	H9	0.3°	90.0°
CAH	CAG	CAE	CAD	178.7°	179.4°
CAG	CAH	OAK	CAI	175.4°	179.9°
CAH	CAG	CAE	OAF	1.7°	0.8°
CAG	CAH	CAI	CAJ	37.5°	40.3°
CAG	CAH	CAI	H3	82.4°	79.2°
CAG	CAH	CAI	H4	157.4°	159.6°
CAG	CAE	CAD	OAF	179.6°	179.8°
CAE	CAG	CAH	OAK	177.3°	167.8°
CAE	CAG	CAH	CAI	7.1°	12.3°
CAG	CAE	OAF	CAJ	24.3°	22.4°
CAG	CAE	CAD	H2	179.9°	179.8°
CAD	CAE	OAF	CAJ	155.3°	157.8°
OAK	CAH	CAI	CAJ	147.0°	139.8°
OAK	CAH	CAI	H3	93.1°	100.7°
OAK	CAH	CAI	H4	27.0°	20.5°
CAH	CAI	CAJ	H3	119.9°	119.5°
CAH	CAI	CAJ	H4	119.9°	119.4°
CAH	CAI	CAJ	OAF	61.7°	58.7°
CAH	CAI	CAJ	CAL	179.3°	178.7°
CAH	CAI	H3	H4	120.2°	121.1°
CAH	CAI	CAJ	H5	59.4°	61.2°
CAE	OAF	CAJ	CAI	54.8°	52.5°
CAE	OAF	CAJ	CAL	176.0°	172.5°
OAF	CAE	CAD	H2	0.3°	0.4°
CAE	OAF	CAJ	H5	65.3°	67.5°
CAI	CAJ	OAF	CAL	121.2°	120.0°
CAI	CAJ	OAF	H5	120.1°	120.0°
CAI	CAJ	CAL	H5	121.4°	120.1°
CAI	CAJ	CAL	CAM	93.5°	100.0°
CAI	CAJ	CAL	CAN	87.7°	80.2°
CAJ	CAI	H3	H4	120.2°	121.1°
OAF	CAJ	CAL	H5	119.8°	120.0°
OAF	CAJ	CAL	CAM	25.4°	140.1°
OAF	CAJ	CAL	CAN	153.5°	39.6°
OAF	CAJ	CAI	H3	58.2°	60.7°
OAF	CAJ	CAI	H4	178.4°	178.1°
CAJ	CAL	CAM	CAN	178.8°	179.7°
CAJ	CAL	CAM	CAQ	179.7°	180.0°
CAJ	CAL	CAN	CAO	179.6°	179.9°
CAL	CAJ	CAI	H3	59.3°	59.2°
CAL	CAJ	CAI	H4	60.8°	61.9°
CAJ	CAL	CAM	H6	0.3°	0.0°
CAJ	CAL	CAN	H7	0.5°	0.1°
CAL	CAM	CAQ	H6	180.0°	180.0°
CAM	CAL	CAN	CAO	0.8°	0.2°
CAL	CAM	CAQ	CLV	179.6°	179.9°
CAL	CAM	CAQ	CAP	0.6°	0.0°
CAM	CAL	CAJ	H5	145.1°	20.1°
CAM	CAL	CAN	H7	179.3°	179.7°
CAN	CAL	CAM	CAQ	0.8°	0.3°
CAL	CAN	CAO	H7	180.0°	179.9°
CAL	CAN	CAO	CAP	0.4°	0.1°
CAL	CAN	CAO	CLS	179.6°	179.9°
CAN	CAL	CAJ	H5	33.7°	159.7°
CAN	CAL	CAM	H6	179.2°	179.7°
CAM	CAQ	CLV	CAP	179.8°	179.9°
CAM	CAQ	CAP	CAO	0.2°	0.3°
CAM	CAQ	CAP	OAR	179.9°	179.9°
CAN	CAO	CAP	CAQ	0.2°	0.3°
CAN	CAO	CAP	CLS	180.0°	180.0°
CAN	CAO	CAP	OAR	179.8°	180.0°
CLV	CAQ	CAP	CAO	179.9°	179.8°
CLV	CAQ	CAP	OAR	0.3°	0.1°
CLV	CAQ	CAM	H6	0.4°	0.1°
CAQ	CAP	CAO	OAR	179.7°	179.7°
CAQ	CAP	CAO	CLS	179.9°	179.7°
CAP	CAQ	CAM	H6	179.4°	180.0°
CAQ	CAP	OAR	H8	180.0°	90.4°
CAP	CAO	CAN	H7	179.6°	180.0°
CAO	CAP	OAR	H8	0.3°	90.0°
CLS	CAO	CAP	OAR	0.2°	0.0°
CLS	CAO	CAN	H7	0.4°	0.1°
H3	CAI	CAJ	H5	179.3°	179.3°
H4	CAI	CAJ	H5	60.5°	58.2°

Release date:	2022-12-14
Definition date:	2021-12-31
Last modified:	2022-12-09
Release status:	REL
Processing site:	PDBJ
Derived from:	7W9R