SZ5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAD	CAC	sing	1.38Å	1.40Å	Aromatic
CAD	CAE	doub	1.40Å	1.39Å	Aromatic
CAC	CAB	doub	1.38Å	1.39Å	Aromatic
CAB	CAA	sing	1.51Å	1.44Å
CAB	CAG	sing	1.38Å	1.39Å	Aromatic
CAG	CAF	doub	1.38Å	1.40Å	Aromatic
CAF	CAE	sing	1.40Å	1.41Å	Aromatic
CAE	CAH	sing	1.48Å	1.41Å
CAH	NAI	doub	1.31Å	1.35Å
CAH	NAR	sing	1.37Å	1.42Å
NAI	CAJ	sing	1.35Å	1.34Å
CAJ	CAO	sing	1.40Å	1.40Å	Aromatic
CAJ	CAK	doub	1.41Å	1.40Å	Aromatic
CAO	CAN	doub	1.37Å	1.39Å	Aromatic
CAN	CAM	sing	1.39Å	1.39Å	Aromatic
CAM	CAL	doub	1.38Å	1.40Å	Aromatic
CAL	CAK	sing	1.39Å	1.40Å	Aromatic
CAK	CAP	sing	1.47Å	1.41Å
CAP	OAQ	doub	1.22Å	1.25Å
CAP	NAR	sing	1.35Å	1.38Å
CAD	HAD	sing	1.08Å	1.08Å
CAC	HAC	sing	1.08Å	1.08Å
CAA	HAA1	sing	1.09Å	1.10Å
CAA	HAA2	sing	1.09Å	1.10Å
CAA	HAA3	sing	1.09Å	1.10Å
CAG	HAG	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
NAR	HAR	sing	0.97Å	1.00Å
CAO	HAO	sing	1.08Å	1.08Å
CAN	HAN	sing	1.08Å	1.08Å
CAM	HAM	sing	1.08Å	1.08Å
CAL	HAL	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAC	CAD	CAE	121.2°	119.9°
CAD	CAC	CAB	120.1°	120.1°
CAC	CAD	HAD	119.4°	120.0°
CAD	CAC	HAC	120.0°	119.9°
CAD	CAE	CAF	118.5°	119.7°
CAD	CAE	CAH	119.7°	120.1°
CAE	CAD	HAD	119.4°	120.1°
CAC	CAB	CAA	119.9°	119.8°
CAC	CAB	CAG	119.5°	120.3°
CAB	CAC	HAC	119.9°	119.9°
CAA	CAB	CAG	120.6°	119.9°
CAB	CAA	HAA1	109.5°	109.5°
CAB	CAA	HAA2	109.5°	109.5°
CAB	CAA	HAA3	109.4°	109.5°
CAB	CAG	CAF	120.5°	120.2°
CAB	CAG	HAG	119.7°	119.9°
CAG	CAF	CAE	120.2°	119.8°
CAF	CAG	HAG	119.7°	119.9°
CAG	CAF	HAF	119.9°	120.1°
CAF	CAE	CAH	121.6°	120.1°
CAE	CAF	HAF	119.9°	120.1°
CAE	CAH	NAI	121.4°	118.4°
CAE	CAH	NAR	120.0°	118.5°
NAI	CAH	NAR	118.5°	123.1°
CAH	NAI	CAJ	120.9°	121.7°
CAH	NAR	CAP	122.5°	120.4°
CAH	NAR	HAR	118.7°	119.8°
NAI	CAJ	CAO	118.4°	121.5°
NAI	CAJ	CAK	121.8°	119.2°
CAO	CAJ	CAK	119.8°	119.3°
CAJ	CAO	CAN	120.4°	119.8°
CAJ	CAO	HAO	119.8°	120.1°
CAJ	CAK	CAL	119.7°	120.0°
CAJ	CAK	CAP	119.4°	118.2°
CAO	CAN	CAM	120.2°	120.9°
CAN	CAO	HAO	119.8°	120.0°
CAO	CAN	HAN	119.9°	119.5°
CAN	CAM	CAL	120.0°	120.6°
CAM	CAN	HAN	119.9°	119.6°
CAN	CAM	HAM	120.0°	119.7°
CAM	CAL	CAK	119.9°	119.4°
CAL	CAM	HAM	120.0°	119.7°
CAM	CAL	HAL	120.0°	120.3°
CAL	CAK	CAP	120.9°	121.8°
CAK	CAL	HAL	120.0°	120.3°
CAK	CAP	OAQ	124.1°	121.3°
CAK	CAP	NAR	116.7°	117.4°
OAQ	CAP	NAR	119.2°	121.3°
CAP	NAR	HAR	118.7°	119.8°
HAA1	CAA	HAA2	109.5°	109.4°
HAA1	CAA	HAA3	109.5°	109.5°
HAA2	CAA	HAA3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAC	CAD	CAE	HAD	180.0°	179.7°
CAD	CAC	CAB	HAC	180.0°	179.9°
CAD	CAC	CAB	CAA	179.7°	180.0°
CAD	CAC	CAB	CAG	0.8°	0.1°
CAC	CAD	CAE	CAF	2.9°	0.0°
CAC	CAD	CAE	CAH	178.0°	179.9°
CAE	CAD	CAC	CAB	2.3°	0.1°
CAD	CAE	CAF	CAG	2.1°	0.1°
CAD	CAE	CAF	CAH	175.0°	179.9°
CAD	CAE	CAH	NAI	12.3°	0.0°
CAD	CAE	CAH	NAR	171.4°	179.7°
CAE	CAD	CAC	HAC	177.8°	180.0°
CAD	CAE	CAF	HAF	177.9°	180.0°
CAC	CAB	CAA	CAG	178.9°	180.0°
CAC	CAB	CAG	CAF	0.0°	0.0°
CAB	CAC	CAD	HAD	177.8°	179.8°
CAC	CAB	CAA	HAA1	90.5°	90.0°
CAC	CAB	CAA	HAA2	149.5°	150.1°
CAC	CAB	CAA	HAA3	29.5°	30.1°
CAC	CAB	CAG	HAG	180.0°	179.9°
CAA	CAB	CAG	CAF	179.0°	180.0°
CAA	CAB	CAC	HAC	0.3°	0.1°
CAB	CAA	HAA1	HAA2	120.0°	120.0°
CAB	CAA	HAA1	HAA3	120.0°	120.0°
CAB	CAA	HAA2	HAA3	120.0°	120.0°
CAA	CAB	CAG	HAG	1.0°	0.0°
CAB	CAG	CAF	HAG	180.0°	179.9°
CAB	CAG	CAF	CAE	0.7°	0.1°
CAG	CAB	CAC	HAC	179.2°	180.0°
CAG	CAB	CAA	HAA1	90.5°	90.0°
CAG	CAB	CAA	HAA2	29.5°	30.0°
CAG	CAB	CAA	HAA3	149.4°	150.0°
CAB	CAG	CAF	HAF	179.3°	180.0°
CAG	CAF	CAE	HAF	180.0°	179.9°
CAG	CAF	CAE	CAH	177.2°	180.0°
CAF	CAE	CAH	NAI	162.7°	180.0°
CAF	CAE	CAH	NAR	13.6°	0.4°
CAF	CAE	CAD	HAD	177.1°	179.7°
CAE	CAF	CAG	HAG	179.3°	180.0°
CAE	CAH	NAI	NAR	176.4°	179.7°
CAE	CAH	NAI	CAJ	178.6°	180.0°
CAE	CAH	NAR	CAP	179.2°	179.8°
CAH	CAE	CAD	HAD	2.0°	0.2°
CAH	CAE	CAF	HAF	2.8°	0.1°
CAE	CAH	NAR	HAR	0.8°	0.0°
CAH	NAI	CAJ	CAO	179.6°	179.9°
CAH	NAI	CAJ	CAK	3.1°	0.1°
NAI	CAH	NAR	CAP	2.8°	0.6°
NAI	CAH	NAR	HAR	177.2°	179.7°
NAR	CAH	NAI	CAJ	2.2°	0.3°
CAH	NAR	CAP	CAK	3.9°	0.5°
CAH	NAR	CAP	OAQ	177.5°	179.8°
CAH	NAR	CAP	HAR	180.0°	179.8°
NAI	CAJ	CAO	CAK	177.4°	180.0°
NAI	CAJ	CAO	CAN	177.6°	180.0°
NAI	CAJ	CAK	CAL	178.1°	180.0°
NAI	CAJ	CAK	CAP	4.3°	0.0°
NAI	CAJ	CAO	HAO	2.4°	0.0°
CAJ	CAO	CAN	HAO	180.0°	180.0°
CAJ	CAO	CAN	CAM	0.2°	0.0°
CAO	CAJ	CAK	CAL	0.8°	0.0°
CAO	CAJ	CAK	CAP	178.5°	180.0°
CAJ	CAO	CAN	HAN	179.8°	180.0°
CAK	CAJ	CAO	CAN	0.2°	0.0°
CAJ	CAK	CAL	CAM	1.3°	0.0°
CAJ	CAK	CAL	CAP	177.6°	179.9°
CAJ	CAK	CAP	OAQ	176.9°	180.0°
CAJ	CAK	CAP	NAR	4.5°	0.3°
CAK	CAJ	CAO	HAO	179.8°	180.0°
CAJ	CAK	CAL	HAL	178.7°	180.0°
CAO	CAN	CAM	HAN	180.0°	180.0°
CAO	CAN	CAM	CAL	0.7°	0.0°
CAO	CAN	CAM	HAM	179.2°	179.9°
CAN	CAM	CAL	HAM	180.0°	180.0°
CAN	CAM	CAL	CAK	1.3°	0.0°
CAM	CAN	CAO	HAO	179.8°	180.0°
CAN	CAM	CAL	HAL	178.7°	180.0°
CAM	CAL	CAK	HAL	180.0°	180.0°
CAM	CAL	CAK	CAP	179.0°	180.0°
CAL	CAM	CAN	HAN	179.3°	180.0°
CAL	CAK	CAP	OAQ	0.7°	0.1°
CAL	CAK	CAP	NAR	177.8°	179.8°
CAK	CAL	CAM	HAM	178.7°	180.0°
CAK	CAP	OAQ	NAR	178.5°	179.7°
CAK	CAP	NAR	HAR	176.1°	179.7°
CAP	CAK	CAL	HAL	1.0°	0.1°
OAQ	CAP	NAR	HAR	2.5°	0.0°
HAD	CAD	CAC	HAC	2.2°	0.4°
HAA1	CAA	HAA2	HAA3	120.0°	120.0°
HAG	CAG	CAF	HAF	0.7°	0.1°
HAO	CAO	CAN	HAN	0.2°	0.0°
HAN	CAN	CAM	HAM	0.7°	0.0°
HAM	CAM	CAL	HAL	1.3°	0.1°

Release date:	2016-04-13
Definition date:	2015-03-24
Last modified:	2016-04-08
Release status:	REL
Processing site:	EBI
Derived from:	4UHG