64F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAA	CAB	doub	1.39Å	1.40Å	Aromatic
CAA	CAF	sing	1.38Å	1.39Å	Aromatic
CAB	CAC	sing	1.38Å	1.40Å	Aromatic
CAF	CAE	doub	1.39Å	1.40Å	Aromatic
CAC	CAD	doub	1.38Å	1.43Å	Aromatic
CAE	CAD	sing	1.42Å	1.43Å	Aromatic
CAE	CAJ	sing	1.47Å	1.40Å
CAD	CAG	sing	1.47Å	1.38Å
OAK	CAJ	doub	1.22Å	1.24Å
CAJ	OAI	sing	1.36Å	1.31Å
CAG	CAL	sing	1.39Å	1.37Å	Aromatic
CAG	CAH	doub	1.40Å	1.36Å	Aromatic
CAO	CAL	sing	1.51Å	1.52Å
CAO	CAP	sing	1.53Å	1.54Å
OAI	CAH	sing	1.35Å	1.37Å
CAL	NAM	doub	1.31Å	1.31Å	Aromatic
CAH	NAN	sing	1.34Å	1.31Å	Aromatic
CAQ	CAP	sing	1.53Å	1.53Å
CAQ	CAR	sing	1.53Å	1.54Å
NAM	NAN	sing	1.40Å	1.28Å	Aromatic
CAC	H1	sing	1.08Å	1.08Å
CAB	H2	sing	1.08Å	1.08Å
CAA	H3	sing	1.08Å	1.08Å
CAF	H4	sing	1.08Å	1.08Å
NAN	H5	sing	0.97Å	1.00Å
CAO	H6	sing	1.09Å	1.10Å
CAO	H7	sing	1.09Å	1.10Å
CAP	H8	sing	1.09Å	1.10Å
CAP	H9	sing	1.09Å	1.10Å
CAQ	H10	sing	1.09Å	1.10Å
CAQ	H11	sing	1.09Å	1.10Å
CAR	H12	sing	1.09Å	1.10Å
CAR	H13	sing	1.09Å	1.10Å
CAR	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAB	CAA	CAF	117.4°	120.9°
CAA	CAB	CAC	120.0°	120.6°
CAA	CAB	H2	120.0°	119.7°
CAB	CAA	H3	121.3°	119.6°
CAA	CAF	CAE	124.1°	119.5°
CAF	CAA	H3	121.3°	119.5°
CAA	CAF	H4	117.9°	120.3°
CAB	CAC	CAD	123.4°	119.4°
CAB	CAC	H1	118.3°	120.3°
CAC	CAB	H2	120.0°	119.7°
CAF	CAE	CAD	119.4°	119.3°
CAF	CAE	CAJ	121.8°	122.7°
CAE	CAF	H4	118.0°	120.2°
CAC	CAD	CAE	115.7°	120.4°
CAC	CAD	CAG	125.5°	124.4°
CAD	CAC	H1	118.3°	120.4°
CAD	CAE	CAJ	118.7°	118.1°
CAE	CAD	CAG	118.8°	115.2°
CAE	CAJ	OAK	124.4°	120.1°
CAE	CAJ	OAI	120.4°	119.8°
CAD	CAG	CAL	138.8°	132.3°
CAD	CAG	CAH	118.8°	120.1°
OAK	CAJ	OAI	115.1°	120.1°
CAJ	OAI	CAH	120.9°	116.1°
CAL	CAG	CAH	102.4°	107.6°
CAG	CAL	CAO	129.8°	126.0°
CAG	CAL	NAM	109.6°	108.0°
CAG	CAH	OAI	122.2°	122.1°
CAG	CAH	NAN	110.2°	106.8°
CAL	CAO	CAP	107.4°	109.4°
CAO	CAL	NAM	120.6°	126.0°
CAL	CAO	H6	110.0°	109.5°
CAL	CAO	H7	110.0°	109.5°
CAO	CAP	CAQ	108.5°	109.5°
CAP	CAO	H6	110.0°	109.4°
CAP	CAO	H7	110.0°	109.5°
CAO	CAP	H8	109.7°	109.5°
CAO	CAP	H9	109.7°	109.5°
OAI	CAH	NAN	127.4°	131.0°
CAL	NAM	NAN	109.1°	109.2°
CAH	NAN	NAM	108.6°	108.4°
CAH	NAN	H5	125.7°	125.8°
CAP	CAQ	CAR	108.7°	109.5°
CAQ	CAP	H8	109.7°	109.4°
CAQ	CAP	H9	109.7°	109.4°
CAP	CAQ	H10	109.6°	109.5°
CAP	CAQ	H11	109.6°	109.5°
CAR	CAQ	H10	109.7°	109.5°
CAR	CAQ	H11	109.7°	109.5°
CAQ	CAR	H12	109.5°	109.5°
CAQ	CAR	H13	109.5°	109.5°
CAQ	CAR	H14	109.5°	109.5°
NAM	NAN	H5	125.7°	125.8°
H6	CAO	H7	109.4°	109.5°
H8	CAP	H9	109.5°	109.5°
H10	CAQ	H11	109.5°	109.4°
H12	CAR	H13	109.4°	109.5°
H12	CAR	H14	109.5°	109.4°
H13	CAR	H14	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAB	CAA	CAF	H3	180.0°	179.9°
CAA	CAB	CAC	H2	180.0°	180.0°
CAB	CAA	CAF	CAE	0.8°	0.0°
CAA	CAB	CAC	CAD	2.9°	0.1°
CAA	CAB	CAC	H1	177.1°	180.0°
CAB	CAA	CAF	H4	179.2°	180.0°
CAF	CAA	CAB	CAC	1.6°	0.4°
CAA	CAF	CAE	H4	180.0°	180.0°
CAA	CAF	CAE	CAD	1.1°	0.6°
CAA	CAF	CAE	CAJ	178.9°	178.8°
CAF	CAA	CAB	H2	178.4°	179.7°
CAB	CAC	CAD	H1	180.0°	179.9°
CAB	CAC	CAD	CAE	3.0°	0.5°
CAB	CAC	CAD	CAG	179.2°	179.4°
CAC	CAB	CAA	H3	178.3°	179.7°
CAF	CAE	CAD	CAC	2.1°	0.8°
CAF	CAE	CAD	CAJ	177.9°	179.4°
CAF	CAE	CAD	CAG	178.5°	179.1°
CAF	CAE	CAJ	OAK	1.8°	24.1°
CAF	CAE	CAJ	OAI	178.4°	155.9°
CAE	CAF	CAA	H3	179.2°	179.9°
CAC	CAD	CAE	CAG	176.4°	179.9°
CAC	CAD	CAE	CAJ	180.0°	178.6°
CAC	CAD	CAG	CAL	3.3°	10.4°
CAC	CAD	CAG	CAH	176.8°	170.0°
CAD	CAC	CAB	H2	177.1°	179.9°
CAD	CAE	CAJ	OAK	179.6°	155.2°
CAD	CAE	CAJ	OAI	3.8°	24.8°
CAE	CAD	CAG	CAL	179.3°	169.8°
CAE	CAD	CAG	CAH	0.8°	9.9°
CAE	CAD	CAC	H1	177.0°	179.4°
CAD	CAE	CAF	H4	178.9°	179.4°
CAJ	CAE	CAD	CAG	3.7°	1.5°
CAE	CAJ	OAK	OAI	176.8°	180.0°
CAE	CAJ	OAI	CAH	0.9°	35.5°
CAJ	CAE	CAF	H4	1.1°	1.2°
CAD	CAG	CAL	CAH	180.0°	179.7°
CAD	CAG	CAL	CAO	0.1°	0.6°
CAD	CAG	CAH	OAI	2.2°	0.8°
CAD	CAG	CAL	NAM	178.9°	179.4°
CAD	CAG	CAH	NAN	177.7°	179.3°
CAG	CAD	CAC	H1	0.8°	0.7°
OAK	CAJ	OAI	CAH	177.8°	144.5°
CAJ	OAI	CAH	CAG	2.2°	23.6°
CAJ	OAI	CAH	NAN	176.9°	156.5°
CAG	CAL	CAO	NAM	178.7°	179.9°
CAG	CAL	CAO	CAP	175.1°	87.5°
CAL	CAG	CAH	OAI	177.8°	179.5°
CAL	CAG	CAH	NAN	2.3°	0.4°
CAG	CAL	NAM	NAN	0.6°	0.1°
CAG	CAL	CAO	H6	65.3°	32.5°
CAG	CAL	CAO	H7	55.3°	152.5°
CAH	CAG	CAL	CAO	179.9°	179.7°
CAG	CAH	OAI	NAN	174.7°	179.9°
CAH	CAG	CAL	NAM	1.0°	0.3°
CAG	CAH	NAN	NAM	2.8°	0.4°
CAG	CAH	NAN	H5	177.3°	179.6°
CAL	CAO	CAP	H6	119.7°	120.0°
CAL	CAO	CAP	H7	119.7°	120.0°
CAL	CAO	CAP	CAQ	173.8°	180.0°
CAO	CAL	NAM	NAN	178.4°	180.0°
CAL	CAO	H6	H7	121.0°	120.1°
CAL	CAO	CAP	H8	66.4°	60.0°
CAL	CAO	CAP	H9	53.9°	60.0°
CAP	CAO	CAL	NAM	6.2°	92.6°
CAO	CAP	CAQ	H8	119.8°	120.0°
CAO	CAP	CAQ	H9	119.8°	120.0°
CAO	CAP	CAQ	CAR	175.5°	180.0°
CAP	CAO	H6	H7	120.9°	120.0°
CAO	CAP	H8	H9	120.4°	120.1°
CAO	CAP	CAQ	H10	64.7°	60.0°
CAO	CAP	CAQ	H11	55.6°	60.0°
OAI	CAH	NAN	NAM	178.0°	179.6°
OAI	CAH	NAN	H5	2.0°	0.5°
CAL	NAM	NAN	CAH	2.0°	0.2°
CAL	NAM	NAN	H5	178.0°	179.8°
NAM	CAL	CAO	H6	113.4°	147.5°
NAM	CAL	CAO	H7	125.9°	27.4°
CAH	NAN	NAM	H5	180.0°	180.0°
CAP	CAQ	CAR	H10	119.9°	120.0°
CAP	CAQ	CAR	H11	119.9°	120.0°
CAQ	CAP	CAO	H6	54.1°	60.0°
CAQ	CAP	CAO	H7	66.5°	60.0°
CAQ	CAP	H8	H9	120.5°	119.9°
CAP	CAQ	H10	H11	120.3°	120.0°
CAP	CAQ	CAR	H12	180.0°	60.0°
CAP	CAQ	CAR	H13	60.0°	60.0°
CAP	CAQ	CAR	H14	60.0°	180.0°
CAR	CAQ	CAP	H8	55.6°	60.0°
CAR	CAQ	CAP	H9	64.7°	60.0°
CAR	CAQ	H10	H11	120.4°	120.0°
CAQ	CAR	H12	H13	120.0°	120.1°
CAQ	CAR	H12	H14	120.0°	120.0°
CAQ	CAR	H13	H14	120.0°	120.0°
H1	CAC	CAB	H2	2.9°	0.0°
H2	CAB	CAA	H3	1.7°	0.2°
H3	CAA	CAF	H4	0.8°	0.1°
H6	CAO	CAP	H8	173.9°	180.0°
H6	CAO	CAP	H9	65.8°	59.9°
H7	CAO	CAP	H8	53.3°	60.0°
H7	CAO	CAP	H9	173.6°	179.9°
H8	CAP	CAQ	H10	175.5°	180.0°
H8	CAP	CAQ	H11	64.2°	60.0°
H9	CAP	CAQ	H10	55.2°	60.0°
H9	CAP	CAQ	H11	175.4°	180.0°
H10	CAQ	CAR	H12	60.1°	180.0°
H10	CAQ	CAR	H13	179.9°	60.0°
H10	CAQ	CAR	H14	59.9°	60.0°
H11	CAQ	CAR	H12	60.1°	60.0°
H11	CAQ	CAR	H13	59.9°	179.9°
H11	CAQ	CAR	H14	179.8°	60.0°
H12	CAR	H13	H14	120.0°	119.9°

Release date:	2016-10-12
Definition date:	2016-01-25
Last modified:	2016-10-07
Release status:	REL
Processing site:	EBI
Derived from:	5HRX