WRO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FAG	CAW	sing	1.40Å	1.20Å
FAF	CAW	sing	1.40Å	1.22Å
CAW	CAR	sing	1.51Å	1.49Å
CAW	FAE	sing	1.40Å	1.24Å
CAR	CAK	doub	1.38Å	1.41Å	Aromatic
CAR	CAJ	sing	1.38Å	1.43Å	Aromatic
CAK	CAQ	sing	1.38Å	1.44Å	Aromatic
CAJ	CAH	doub	1.38Å	1.41Å	Aromatic
CAQ	CAL	sing	1.51Å	1.34Å
CAQ	CAI	doub	1.38Å	1.42Å	Aromatic
CAH	CAI	sing	1.38Å	1.42Å	Aromatic
CAL	CAM	sing	1.53Å	1.55Å
CAM	CAT	sing	1.51Å	1.39Å
OAC	CAV	doub	1.22Å	1.23Å
CAT	CAV	sing	1.47Å	1.43Å
CAT	CAS	doub	1.36Å	1.39Å
CAV	NAO	sing	1.35Å	1.41Å
CAS	CAP	sing	1.48Å	1.49Å
CAS	NAN	sing	1.38Å	1.40Å
CAP	OAA	doub	1.21Å	1.24Å
CAP	OAD	sing	1.35Å	1.24Å
NAO	CAU	sing	1.34Å	1.40Å
NAN	CAU	sing	1.34Å	1.42Å
CAU	OAB	doub	1.22Å	1.23Å
OAD	H1	sing	0.97Å	0.95Å
NAO	H2	sing	0.97Å	1.00Å
CAM	H4	sing	1.09Å	1.10Å
CAM	H5	sing	1.09Å	1.10Å
CAL	H6	sing	1.09Å	1.10Å
CAL	H7	sing	1.09Å	1.10Å
CAK	H8	sing	1.08Å	1.08Å
CAJ	H9	sing	1.08Å	1.08Å
CAH	H10	sing	1.08Å	1.08Å
CAI	H11	sing	1.08Å	1.08Å
NAN	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
FAG	CAW	FAF	103.1°	109.5°
FAG	CAW	CAR	108.3°	109.5°
FAG	CAW	FAE	114.4°	109.4°
FAF	CAW	CAR	120.4°	109.5°
FAF	CAW	FAE	103.1°	109.5°
CAR	CAW	FAE	107.8°	109.5°
CAW	CAR	CAK	121.2°	120.0°
CAW	CAR	CAJ	118.4°	120.0°
CAK	CAR	CAJ	120.3°	120.0°
CAR	CAK	CAQ	118.8°	120.0°
CAR	CAK	H8	120.7°	120.0°
CAR	CAJ	CAH	121.5°	120.0°
CAR	CAJ	H9	119.3°	120.0°
CAK	CAQ	CAL	121.5°	120.0°
CAK	CAQ	CAI	119.8°	120.0°
CAQ	CAK	H8	120.6°	120.0°
CAJ	CAH	CAI	118.1°	120.0°
CAH	CAJ	H9	119.3°	120.0°
CAJ	CAH	H10	121.0°	120.0°
CAL	CAQ	CAI	118.7°	120.0°
CAQ	CAL	CAM	113.2°	109.5°
CAQ	CAL	H6	108.5°	109.5°
CAQ	CAL	H7	108.5°	109.5°
CAQ	CAI	CAH	121.5°	120.0°
CAQ	CAI	H11	119.2°	120.0°
CAI	CAH	H10	120.9°	120.0°
CAH	CAI	H11	119.3°	120.0°
CAL	CAM	CAT	111.3°	109.5°
CAL	CAM	H4	109.0°	109.5°
CAL	CAM	H5	109.0°	109.5°
CAM	CAL	H6	108.6°	109.5°
CAM	CAL	H7	108.5°	109.5°
CAM	CAT	CAV	120.2°	120.8°
CAM	CAT	CAS	120.9°	120.8°
CAT	CAM	H4	109.0°	109.5°
CAT	CAM	H5	109.0°	109.4°
OAC	CAV	CAT	121.5°	120.6°
OAC	CAV	NAO	120.6°	120.6°
CAV	CAT	CAS	118.9°	118.4°
CAT	CAV	NAO	117.8°	118.8°
CAT	CAS	CAP	125.5°	120.3°
CAT	CAS	NAN	122.3°	119.4°
CAV	NAO	CAU	123.5°	120.4°
CAV	NAO	H2	118.2°	119.8°
CAP	CAS	NAN	112.1°	120.3°
CAS	CAP	OAA	120.9°	120.0°
CAS	CAP	OAD	113.0°	120.0°
CAS	NAN	CAU	120.4°	121.2°
CAS	NAN	H12	119.8°	119.4°
OAA	CAP	OAD	125.9°	120.0°
CAP	OAD	H1	109.5°	117.0°
NAO	CAU	NAN	116.9°	121.8°
NAO	CAU	OAB	120.0°	119.1°
CAU	NAO	H2	118.2°	119.8°
NAN	CAU	OAB	122.8°	119.2°
CAU	NAN	H12	119.8°	119.4°
H4	CAM	H5	109.5°	109.4°
H6	CAL	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
FAG	CAW	FAF	CAR	120.7°	120.0°
FAG	CAW	FAF	FAE	119.3°	120.0°
FAG	CAW	CAR	FAE	124.2°	119.9°
FAG	CAW	CAR	CAK	133.7°	30.0°
FAG	CAW	CAR	CAJ	47.2°	150.0°
FAF	CAW	CAR	FAE	117.7°	120.1°
FAF	CAW	CAR	CAK	15.6°	150.0°
FAF	CAW	CAR	CAJ	165.3°	30.0°
CAW	CAR	CAK	CAJ	179.1°	180.0°
CAW	CAR	CAK	CAQ	179.8°	180.0°
CAW	CAR	CAJ	CAH	179.1°	180.0°
CAW	CAR	CAK	H8	0.2°	0.0°
CAW	CAR	CAJ	H9	0.9°	0.0°
FAE	CAW	CAR	CAK	102.1°	90.0°
FAE	CAW	CAR	CAJ	77.0°	90.0°
CAR	CAK	CAQ	H8	180.0°	180.0°
CAK	CAR	CAJ	CAH	1.8°	NaN°
CAR	CAK	CAQ	CAL	178.2°	180.0°
CAR	CAK	CAQ	CAI	1.2°	0.3°
CAK	CAR	CAJ	H9	178.2°	180.0°
CAJ	CAR	CAK	CAQ	0.7°	0.0°
CAR	CAJ	CAH	H9	180.0°	180.0°
CAR	CAJ	CAH	CAI	0.9°	0.3°
CAJ	CAR	CAK	H8	179.3°	180.0°
CAR	CAJ	CAH	H10	179.1°	180.0°
CAK	CAQ	CAL	CAI	179.4°	179.7°
CAK	CAQ	CAI	CAH	2.2°	0.6°
CAK	CAQ	CAL	CAM	86.8°	89.7°
CAK	CAQ	CAL	H6	152.6°	150.3°
CAK	CAQ	CAL	H7	33.7°	30.3°
CAK	CAQ	CAI	H11	177.8°	179.8°
CAJ	CAH	CAI	CAQ	1.1°	0.6°
CAJ	CAH	CAI	H10	180.0°	179.7°
CAJ	CAH	CAI	H11	178.9°	179.8°
CAL	CAQ	CAI	CAH	177.2°	179.7°
CAQ	CAL	CAM	H6	120.5°	120.0°
CAQ	CAL	CAM	H7	120.6°	120.0°
CAQ	CAL	CAM	CAT	88.8°	180.0°
CAQ	CAL	CAM	H4	150.9°	60.0°
CAQ	CAL	CAM	H5	31.5°	60.0°
CAQ	CAL	H6	H7	118.3°	120.0°
CAL	CAQ	CAK	H8	1.8°	0.0°
CAL	CAQ	CAI	H11	2.8°	0.1°
CAQ	CAI	CAH	H11	180.0°	179.6°
CAI	CAQ	CAL	CAM	92.5°	90.0°
CAI	CAQ	CAL	H6	28.0°	30.0°
CAI	CAQ	CAL	H7	146.9°	150.0°
CAI	CAQ	CAK	H8	178.8°	179.7°
CAQ	CAI	CAH	H10	178.9°	179.7°
CAI	CAH	CAJ	H9	179.1°	179.7°
CAL	CAM	CAT	H4	120.3°	120.0°
CAL	CAM	CAT	H5	120.3°	120.0°
CAL	CAM	CAT	CAV	67.1°	88.2°
CAL	CAM	CAT	CAS	112.3°	91.4°
CAL	CAM	H4	H5	119.1°	120.0°
CAM	CAL	H6	H7	118.3°	119.9°
CAM	CAT	CAV	OAC	0.3°	0.2°
CAM	CAT	CAV	CAS	179.4°	179.5°
CAM	CAT	CAV	NAO	178.6°	180.0°
CAM	CAT	CAS	CAP	0.6°	0.2°
CAM	CAT	CAS	NAN	178.3°	180.0°
CAT	CAM	H4	H5	119.2°	119.9°
CAT	CAM	CAL	H6	31.7°	59.9°
CAT	CAM	CAL	H7	150.6°	60.0°
OAC	CAV	CAT	NAO	178.9°	179.7°
OAC	CAV	CAT	CAS	179.2°	179.8°
OAC	CAV	NAO	CAU	177.2°	180.0°
OAC	CAV	NAO	H2	2.8°	0.1°
CAV	CAT	CAS	CAP	178.8°	179.7°
CAV	CAT	CAS	NAN	1.2°	0.5°
CAT	CAV	NAO	CAU	3.9°	0.3°
CAT	CAV	NAO	H2	176.1°	179.8°
CAV	CAT	CAM	H4	53.2°	31.9°
CAV	CAT	CAM	H5	172.6°	151.8°
CAS	CAT	CAV	NAO	2.0°	0.5°
CAT	CAS	CAP	NAN	177.9°	179.8°
CAT	CAS	CAP	OAA	55.9°	6.2°
CAT	CAS	CAP	OAD	128.1°	173.5°
CAT	CAS	NAN	CAU	2.6°	0.2°
CAS	CAT	CAM	H4	127.4°	148.6°
CAS	CAT	CAM	H5	7.9°	28.6°
CAT	CAS	NAN	H12	177.4°	179.8°
CAV	NAO	CAU	H2	180.0°	179.9°
CAV	NAO	CAU	NAN	2.5°	0.0°
CAV	NAO	CAU	OAB	172.3°	180.0°
CAS	CAP	OAA	OAD	175.5°	179.6°
CAP	CAS	NAN	CAU	179.4°	180.0°
CAS	CAP	OAD	H1	175.8°	179.7°
CAP	CAS	NAN	H12	0.6°	0.1°
NAN	CAS	CAP	OAA	126.3°	174.0°
NAN	CAS	CAP	OAD	49.8°	6.4°
CAS	NAN	CAU	NAO	0.7°	0.0°
CAS	NAN	CAU	H12	180.0°	180.0°
CAS	NAN	CAU	OAB	175.4°	179.9°
OAA	CAP	OAD	H1	0.0°	0.0°
NAO	CAU	NAN	OAB	174.7°	180.0°
NAO	CAU	NAN	H12	179.3°	180.0°
NAN	CAU	NAO	H2	177.5°	180.0°
OAB	CAU	NAO	H2	7.7°	0.1°
OAB	CAU	NAN	H12	4.6°	0.0°
H4	CAM	CAL	H6	88.5°	180.0°
H4	CAM	CAL	H7	30.4°	60.1°
H5	CAM	CAL	H6	152.0°	60.0°
H5	CAM	CAL	H7	89.1°	180.0°
H9	CAJ	CAH	H10	0.9°	0.0°
H10	CAH	CAI	H11	1.1°	0.0°

Release date:	2013-11-27
Definition date:	2012-11-27
Last modified:	2013-11-22
Release status:	REL
Processing site:	PDBJ
Derived from:	3W1T