WGJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAT	CAR	sing	1.39Å	1.38Å	Aromatic
CAT	CAS	doub	1.38Å	1.38Å	Aromatic
CLW	CAS	sing	1.74Å	1.76Å
CAR	CAQ	doub	1.38Å	1.39Å	Aromatic
CAS	CAE	sing	1.39Å	1.33Å	Aromatic
CAQ	CLX	sing	1.74Å	1.73Å
CAQ	CAD	sing	1.39Å	1.36Å	Aromatic
CAE	CAD	doub	1.40Å	1.35Å	Aromatic
CAE	OAB	sing	1.35Å	1.34Å	Aromatic
CAD	CAC	sing	1.48Å	1.38Å	Aromatic
OAB	CAA	sing	1.34Å	1.26Å	Aromatic
CAC	CAA	doub	1.36Å	1.36Å	Aromatic
CAC	CAF	sing	1.47Å	1.38Å
CAA	CAU	sing	1.51Å	1.54Å
OAM	CAF	doub	1.22Å	1.23Å
CAV	CAU	sing	1.53Å	1.52Å
CAF	CAG	sing	1.48Å	1.42Å
CAG	CAI	doub	1.40Å	1.39Å	Aromatic
CAG	CAH	sing	1.40Å	1.41Å	Aromatic
CAI	CAK	sing	1.38Å	1.38Å	Aromatic
CAH	CAJ	doub	1.38Å	1.41Å	Aromatic
CAK	IAP	sing	2.10Å	2.09Å
CAK	CAL	doub	1.39Å	1.38Å	Aromatic
CAJ	CAL	sing	1.39Å	1.39Å	Aromatic
CAJ	IAN	sing	2.10Å	2.12Å
CAL	OAO	sing	1.36Å	1.36Å
CAH	H1	sing	1.08Å	1.08Å
CAI	H2	sing	1.08Å	1.08Å
CAR	H3	sing	1.08Å	1.08Å
CAT	H4	sing	1.08Å	1.08Å
CAU	H5	sing	1.09Å	1.10Å
CAU	H6	sing	1.09Å	1.10Å
CAV	H7	sing	1.09Å	1.10Å
CAV	H8	sing	1.09Å	1.10Å
CAV	H9	sing	1.09Å	1.10Å
OAO	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAR	CAT	CAS	116.3°	120.7°
CAT	CAR	CAQ	120.6°	120.2°
CAT	CAR	H3	119.7°	119.9°
CAR	CAT	H4	121.8°	119.7°
CAT	CAS	CLW	119.9°	120.0°
CAT	CAS	CAE	121.2°	120.0°
CAS	CAT	H4	121.8°	119.7°
CLW	CAS	CAE	118.9°	120.0°
CAR	CAQ	CLX	112.7°	120.2°
CAR	CAQ	CAD	121.8°	119.6°
CAQ	CAR	H3	119.7°	119.9°
CAS	CAE	CAD	124.1°	119.2°
CAS	CAE	OAB	127.2°	133.1°
CLX	CAQ	CAD	125.6°	120.2°
CAQ	CAD	CAE	116.0°	120.3°
CAQ	CAD	CAC	138.0°	134.2°
CAD	CAE	OAB	108.7°	107.7°
CAE	CAD	CAC	106.0°	105.4°
CAE	OAB	CAA	109.0°	111.4°
CAD	CAC	CAA	105.6°	105.7°
CAD	CAC	CAF	128.3°	127.1°
OAB	CAA	CAC	110.7°	109.8°
OAB	CAA	CAU	119.2°	125.1°
CAA	CAC	CAF	126.1°	127.1°
CAC	CAA	CAU	130.1°	125.1°
CAC	CAF	OAM	120.2°	120.0°
CAC	CAF	CAG	121.1°	120.0°
CAA	CAU	CAV	109.2°	109.5°
CAA	CAU	H5	109.5°	109.5°
CAA	CAU	H6	109.5°	109.5°
OAM	CAF	CAG	118.2°	120.0°
CAV	CAU	H5	109.6°	109.4°
CAV	CAU	H6	109.6°	109.5°
CAU	CAV	H7	109.5°	109.5°
CAU	CAV	H8	109.4°	109.4°
CAU	CAV	H9	109.5°	109.5°
CAF	CAG	CAI	121.8°	120.1°
CAF	CAG	CAH	121.0°	120.1°
CAI	CAG	CAH	117.1°	119.8°
CAG	CAI	CAK	122.0°	119.9°
CAG	CAI	H2	119.0°	120.0°
CAG	CAH	CAJ	122.0°	119.9°
CAG	CAH	H1	119.0°	120.0°
CAI	CAK	IAP	119.9°	120.0°
CAI	CAK	CAL	119.6°	120.1°
CAK	CAI	H2	119.0°	120.1°
CAH	CAJ	CAL	117.3°	120.1°
CAH	CAJ	IAN	122.9°	120.0°
CAJ	CAH	H1	119.0°	120.0°
IAP	CAK	CAL	120.5°	119.9°
CAK	CAL	CAJ	121.9°	120.2°
CAK	CAL	OAO	117.6°	119.9°
CAL	CAJ	IAN	119.7°	120.0°
CAJ	CAL	OAO	120.5°	119.9°
CAL	OAO	H10	109.5°	114.0°
H5	CAU	H6	109.5°	109.4°
H7	CAV	H8	109.4°	109.5°
H7	CAV	H9	109.5°	109.5°
H8	CAV	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAR	CAT	CAS	H4	180.0°	180.0°
CAR	CAT	CAS	CLW	179.2°	180.0°
CAT	CAR	CAQ	H3	180.0°	179.9°
CAR	CAT	CAS	CAE	1.0°	0.0°
CAT	CAR	CAQ	CLX	179.7°	180.0°
CAT	CAR	CAQ	CAD	0.3°	0.1°
CAT	CAS	CLW	CAE	179.9°	180.0°
CAS	CAT	CAR	CAQ	0.7°	0.1°
CAT	CAS	CAE	CAD	0.3°	0.1°
CAT	CAS	CAE	OAB	179.6°	179.7°
CAS	CAT	CAR	H3	179.4°	180.0°
CLW	CAS	CAE	CAD	179.8°	179.9°
CLW	CAS	CAE	OAB	0.3°	0.3°
CLW	CAS	CAT	H4	0.8°	0.0°
CAR	CAQ	CLX	CAD	179.4°	180.0°
CAR	CAQ	CAD	CAE	0.9°	0.0°
CAR	CAQ	CAD	CAC	178.5°	179.9°
CAQ	CAR	CAT	H4	179.3°	180.0°
CAS	CAE	CAD	CAQ	0.6°	0.1°
CAS	CAE	CAD	OAB	179.9°	179.7°
CAS	CAE	CAD	CAC	178.9°	180.0°
CAS	CAE	OAB	CAA	179.9°	179.9°
CAE	CAS	CAT	H4	179.0°	180.0°
CLX	CAQ	CAD	CAE	179.7°	179.9°
CLX	CAQ	CAD	CAC	2.1°	0.0°
CLX	CAQ	CAR	H3	0.2°	0.1°
CAQ	CAD	CAE	CAC	178.3°	179.9°
CAQ	CAD	CAE	OAB	179.5°	179.8°
CAQ	CAD	CAC	CAA	179.4°	180.0°
CAQ	CAD	CAC	CAF	3.1°	0.1°
CAD	CAQ	CAR	H3	179.7°	180.0°
CAD	CAE	OAB	CAA	0.1°	0.4°
CAE	CAD	CAC	CAA	1.6°	0.0°
CAE	CAD	CAC	CAF	179.1°	180.0°
OAB	CAE	CAD	CAC	1.1°	0.3°
CAE	OAB	CAA	CAC	0.9°	0.4°
CAE	OAB	CAA	CAU	178.9°	179.8°
CAD	CAC	CAA	OAB	1.6°	0.2°
CAD	CAC	CAA	CAF	177.6°	180.0°
CAD	CAC	CAA	CAU	178.2°	180.0°
CAD	CAC	CAF	OAM	48.4°	85.3°
CAD	CAC	CAF	CAG	139.8°	94.7°
OAB	CAA	CAC	CAU	179.8°	179.8°
OAB	CAA	CAC	CAF	179.2°	179.8°
OAB	CAA	CAU	CAV	40.1°	89.7°
OAB	CAA	CAU	H5	79.9°	30.3°
OAB	CAA	CAU	H6	160.0°	150.2°
CAA	CAC	CAF	OAM	128.6°	94.6°
CAC	CAA	CAU	CAV	139.7°	90.0°
CAA	CAC	CAF	CAG	43.2°	85.4°
CAC	CAA	CAU	H5	100.3°	150.0°
CAC	CAA	CAU	H6	19.8°	30.0°
CAF	CAC	CAA	CAU	0.6°	0.0°
CAC	CAF	OAM	CAG	172.0°	180.0°
CAC	CAF	CAG	CAI	24.1°	174.5°
CAC	CAF	CAG	CAH	155.4°	5.7°
CAA	CAU	CAV	H5	120.0°	120.0°
CAA	CAU	CAV	H6	119.9°	120.0°
CAA	CAU	H5	H6	120.1°	120.0°
CAA	CAU	CAV	H7	180.0°	180.0°
CAA	CAU	CAV	H8	60.0°	60.0°
CAA	CAU	CAV	H9	60.0°	60.0°
OAM	CAF	CAG	CAI	163.9°	5.5°
OAM	CAF	CAG	CAH	16.5°	174.3°
CAV	CAU	H5	H6	120.2°	120.0°
CAU	CAV	H7	H8	120.0°	120.0°
CAU	CAV	H7	H9	120.0°	120.0°
CAU	CAV	H8	H9	120.0°	120.0°
CAF	CAG	CAI	CAH	179.6°	179.8°
CAF	CAG	CAI	CAK	177.5°	179.9°
CAF	CAG	CAH	CAJ	178.1°	180.0°
CAF	CAG	CAH	H1	2.0°	0.0°
CAF	CAG	CAI	H2	2.5°	0.0°
CAG	CAI	CAK	H2	180.0°	179.9°
CAI	CAG	CAH	CAJ	1.5°	0.2°
CAG	CAI	CAK	IAP	178.3°	180.0°
CAG	CAI	CAK	CAL	1.5°	0.1°
CAI	CAG	CAH	H1	178.5°	179.8°
CAH	CAG	CAI	CAK	2.1°	0.2°
CAG	CAH	CAJ	H1	180.0°	179.9°
CAG	CAH	CAJ	CAL	0.4°	0.1°
CAG	CAH	CAJ	IAN	179.7°	180.0°
CAH	CAG	CAI	H2	177.9°	179.7°
CAI	CAK	IAP	CAL	179.8°	180.0°
CAI	CAK	CAL	CAJ	0.4°	0.3°
CAI	CAK	CAL	OAO	179.0°	179.9°
CAH	CAJ	CAL	CAK	0.2°	0.3°
CAH	CAJ	CAL	IAN	179.9°	179.9°
CAH	CAJ	CAL	OAO	179.5°	179.9°
IAP	CAK	CAL	CAJ	179.5°	179.7°
IAP	CAK	CAL	OAO	1.2°	0.0°
IAP	CAK	CAI	H2	1.7°	0.1°
CAK	CAL	CAJ	OAO	179.4°	179.7°
CAK	CAL	CAJ	IAN	179.7°	179.8°
CAL	CAK	CAI	H2	178.5°	180.0°
CAK	CAL	OAO	H10	180.0°	89.7°
CAL	CAJ	CAH	H1	179.5°	180.0°
CAJ	CAL	OAO	H10	0.6°	90.0°
IAN	CAJ	CAL	OAO	0.4°	0.0°
IAN	CAJ	CAH	H1	0.4°	0.1°
H3	CAR	CAT	H4	0.6°	0.1°
H5	CAU	CAV	H7	60.1°	60.0°
H5	CAU	CAV	H8	180.0°	180.0°
H5	CAU	CAV	H9	60.0°	60.0°
H6	CAU	CAV	H7	60.0°	60.0°
H6	CAU	CAV	H8	59.9°	60.0°
H6	CAU	CAV	H9	179.9°	180.0°
H7	CAV	H8	H9	120.0°	120.0°

Release date:	2024-05-15
Definition date:	2023-10-03
Last modified:	2024-05-10
Release status:	REL
Processing site:	PDBJ
Derived from:	8WGT