ZX5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAT	CAI	doub	1.40Å	1.39Å	Aromatic
CAT	CAS	sing	1.41Å	1.39Å	Aromatic
CAT	CAR	sing	1.46Å	1.39Å	Aromatic
CAI	CAG	sing	1.37Å	1.39Å	Aromatic
CAG	CAF	doub	1.39Å	1.39Å	Aromatic
CAF	CAH	sing	1.38Å	1.39Å	Aromatic
CAH	CAS	doub	1.39Å	1.39Å	Aromatic
CAS	NAP	sing	1.38Å	1.33Å	Aromatic
NAP	CAJ	sing	1.37Å	1.33Å	Aromatic
CAJ	CAR	doub	1.34Å	1.33Å	Aromatic
CAR	CAL	sing	1.51Å	1.53Å
CAL	CAK	sing	1.53Å	1.53Å
CAK	CAQ	sing	1.51Å	1.53Å
CAQ	OAB	doub	1.21Å	1.23Å
CAQ	NAN	sing	1.35Å	1.33Å
NAN	CAM	sing	1.46Å	1.47Å
CAM	CAV	sing	1.53Å	1.53Å
CAV	NAO	sing	1.47Å	1.47Å
CAV	CAX	sing	1.53Å	1.53Å
NAO	CAU	sing	1.47Å	1.47Å
CAU	CAA	sing	1.53Å	1.53Å
CAU	CAW	sing	1.53Å	1.53Å
CAW	OAC	sing	1.43Å	1.43Å
CAW	CAY	sing	1.53Å	1.53Å
CAY	OAE	sing	1.43Å	1.43Å
CAY	CAX	sing	1.53Å	1.53Å
CAX	OAD	sing	1.43Å	1.43Å
CAI	HAI	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
CAH	HAH	sing	1.08Å	1.08Å
NAP	HNAP	sing	0.97Å	1.00Å
CAJ	HAJ	sing	1.08Å	1.08Å
CAL	HAL	sing	1.09Å	1.10Å
CAL	HALA	sing	1.09Å	1.10Å
CAK	HAK	sing	1.09Å	1.10Å
CAK	HAKA	sing	1.09Å	1.10Å
NAN	HNAN	sing	0.97Å	1.00Å
CAM	HAM	sing	1.09Å	1.10Å
CAM	HAMA	sing	1.09Å	1.10Å
CAV	HAV	sing	1.09Å	1.10Å
NAO	HNAO	sing	1.01Å	1.00Å
CAU	HAU	sing	1.09Å	1.10Å
CAA	HAA	sing	1.09Å	1.10Å
CAA	HAAA	sing	1.09Å	1.10Å
CAA	HAAB	sing	1.09Å	1.10Å
CAW	HAW	sing	1.09Å	1.10Å
OAC	HOAC	sing	0.97Å	0.95Å
CAY	HAY	sing	1.09Å	1.10Å
OAE	HOAE	sing	0.97Å	0.95Å
CAX	HAX	sing	1.09Å	1.10Å
OAD	HOAD	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAI	CAT	CAS	120.1°	119.9°
CAI	CAT	CAR	133.5°	134.1°
CAT	CAI	CAG	119.7°	119.7°
CAT	CAI	HAI	120.1°	120.1°
CAS	CAT	CAR	106.4°	106.0°
CAT	CAS	CAH	120.2°	119.3°
CAT	CAS	NAP	107.1°	107.1°
CAT	CAR	CAJ	107.3°	107.1°
CAT	CAR	CAL	126.7°	126.5°
CAI	CAG	CAF	120.3°	120.6°
CAG	CAI	HAI	120.2°	120.2°
CAI	CAG	HAG	119.8°	119.7°
CAG	CAF	CAH	119.9°	120.6°
CAF	CAG	HAG	119.8°	119.7°
CAG	CAF	HAF	120.0°	119.7°
CAF	CAH	CAS	119.8°	119.8°
CAH	CAF	HAF	120.1°	119.7°
CAF	CAH	HAH	120.1°	120.1°
CAH	CAS	NAP	132.7°	133.5°
CAS	CAH	HAH	120.1°	120.1°
CAS	NAP	CAJ	109.8°	109.9°
CAS	NAP	HNAP	125.1°	125.0°
NAP	CAJ	CAR	109.4°	109.9°
CAJ	NAP	HNAP	125.1°	125.0°
NAP	CAJ	HAJ	125.3°	125.1°
CAJ	CAR	CAL	126.0°	126.5°
CAR	CAJ	HAJ	125.3°	125.1°
CAR	CAL	CAK	110.4°	109.5°
CAR	CAL	HAL	109.2°	109.5°
CAR	CAL	HALA	109.0°	109.5°
CAL	CAK	CAQ	111.8°	109.5°
CAK	CAL	HAL	109.1°	109.4°
CAK	CAL	HALA	109.0°	109.5°
CAL	CAK	HAK	108.7°	109.4°
CAL	CAK	HAKA	108.2°	109.4°
CAK	CAQ	OAB	120.3°	120.0°
CAK	CAQ	NAN	116.5°	120.0°
CAQ	CAK	HAK	108.7°	109.5°
CAQ	CAK	HAKA	108.2°	109.5°
OAB	CAQ	NAN	123.3°	120.0°
CAQ	NAN	CAM	121.9°	120.0°
CAQ	NAN	HNAN	119.1°	120.0°
NAN	CAM	CAV	110.0°	109.5°
CAM	NAN	HNAN	119.0°	120.0°
NAN	CAM	HAM	109.3°	109.5°
NAN	CAM	HAMA	109.2°	109.5°
CAM	CAV	NAO	110.2°	109.5°
CAM	CAV	CAX	111.6°	109.5°
CAV	CAM	HAM	109.3°	109.5°
CAV	CAM	HAMA	109.1°	109.4°
CAM	CAV	HAV	107.0°	109.5°
NAO	CAV	CAX	108.0°	109.5°
CAV	NAO	CAU	110.2°	111.2°
NAO	CAV	HAV	110.7°	109.4°
CAV	NAO	HNAO	109.2°	110.9°
CAV	CAX	CAY	109.2°	109.3°
CAV	CAX	OAD	110.0°	109.5°
CAX	CAV	HAV	109.3°	109.5°
CAV	CAX	HAX	109.5°	109.5°
NAO	CAU	CAA	109.0°	109.4°
NAO	CAU	CAW	111.4°	109.5°
CAU	NAO	HNAO	109.2°	111.0°
NAO	CAU	HAU	109.0°	109.5°
CAA	CAU	CAW	110.7°	109.5°
CAA	CAU	HAU	109.6°	109.5°
CAU	CAA	HAA	109.5°	109.4°
CAU	CAA	HAAA	109.4°	109.5°
CAU	CAA	HAAB	109.4°	109.5°
CAU	CAW	OAC	110.3°	109.5°
CAU	CAW	CAY	111.1°	109.3°
CAW	CAU	HAU	107.1°	109.4°
CAU	CAW	HAW	107.8°	109.5°
OAC	CAW	CAY	109.1°	109.5°
OAC	CAW	HAW	109.7°	109.5°
CAW	OAC	HOAC	109.5°	114.0°
CAW	CAY	OAE	108.9°	109.5°
CAW	CAY	CAX	109.8°	109.2°
CAY	CAW	HAW	108.9°	109.5°
CAW	CAY	HAY	109.8°	109.5°
OAE	CAY	CAX	109.7°	109.5°
OAE	CAY	HAY	109.8°	109.6°
CAY	OAE	HOAE	109.5°	114.0°
CAY	CAX	OAD	110.0°	109.5°
CAX	CAY	HAY	108.9°	109.5°
CAY	CAX	HAX	109.5°	109.5°
OAD	CAX	HAX	108.7°	109.5°
CAX	OAD	HOAD	109.5°	114.0°
HAL	CAL	HALA	110.2°	109.4°
HAK	CAK	HAKA	111.3°	109.5°
HAM	CAM	HAMA	109.9°	109.5°
HAA	CAA	HAAA	109.5°	109.5°
HAA	CAA	HAAB	109.5°	109.5°
HAAA	CAA	HAAB	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAI	CAT	CAS	CAR	179.0°	179.7°
CAT	CAI	CAG	HAI	180.0°	179.9°
CAT	CAI	CAG	CAF	0.1°	0.0°
CAI	CAT	CAS	CAH	0.2°	0.1°
CAI	CAT	CAS	NAP	179.3°	180.0°
CAI	CAT	CAR	CAJ	179.2°	180.0°
CAI	CAT	CAR	CAL	1.1°	0.1°
CAT	CAI	CAG	HAG	180.0°	180.0°
CAS	CAT	CAI	CAG	0.2°	0.1°
CAT	CAS	CAH	CAF	0.0°	0.1°
CAT	CAS	CAH	NAP	178.9°	179.9°
CAT	CAS	NAP	CAJ	0.1°	0.0°
CAS	CAT	CAR	CAJ	0.4°	0.4°
CAS	CAT	CAR	CAL	177.7°	179.7°
CAS	CAT	CAI	HAI	179.9°	180.0°
CAT	CAS	CAH	HAH	180.0°	180.0°
CAT	CAS	NAP	HNAP	179.9°	180.0°
CAR	CAT	CAI	CAG	178.5°	179.7°
CAR	CAT	CAS	CAH	178.8°	179.8°
CAR	CAT	CAS	NAP	0.3°	0.2°
CAT	CAR	CAJ	NAP	0.3°	0.4°
CAT	CAR	CAJ	CAL	178.1°	179.9°
CAT	CAR	CAL	CAK	101.0°	85.0°
CAR	CAT	CAI	HAI	1.5°	0.4°
CAT	CAR	CAJ	HAJ	179.7°	179.9°
CAT	CAR	CAL	HAL	19.0°	155.0°
CAT	CAR	CAL	HALA	139.4°	35.0°
CAI	CAG	CAF	HAG	180.0°	179.9°
CAI	CAG	CAF	CAH	0.1°	0.0°
CAI	CAG	CAF	HAF	179.9°	180.0°
CAG	CAF	CAH	HAF	180.0°	180.0°
CAG	CAF	CAH	CAS	0.1°	0.1°
CAF	CAG	CAI	HAI	180.0°	179.9°
CAG	CAF	CAH	HAH	179.9°	180.0°
CAF	CAH	CAS	HAH	180.0°	179.9°
CAF	CAH	CAS	NAP	178.9°	180.0°
CAH	CAF	CAG	HAG	179.9°	180.0°
CAH	CAS	NAP	CAJ	178.9°	180.0°
CAS	CAH	CAF	HAF	179.9°	179.9°
CAH	CAS	NAP	HNAP	1.1°	0.0°
CAS	NAP	CAJ	HNAP	180.0°	180.0°
CAS	NAP	CAJ	CAR	0.1°	0.2°
NAP	CAS	CAH	HAH	1.1°	0.0°
CAS	NAP	CAJ	HAJ	179.8°	179.9°
NAP	CAJ	CAR	HAJ	180.0°	179.7°
NAP	CAJ	CAR	CAL	177.8°	179.7°
CAJ	CAR	CAL	CAK	76.8°	94.9°
CAR	CAJ	NAP	HNAP	179.8°	179.8°
CAJ	CAR	CAL	HAL	163.2°	25.1°
CAJ	CAR	CAL	HALA	42.8°	145.1°
CAR	CAL	CAK	HAL	120.0°	120.1°
CAR	CAL	CAK	HALA	119.6°	120.0°
CAR	CAL	CAK	CAQ	55.4°	180.0°
CAL	CAR	CAJ	HAJ	2.2°	0.0°
CAR	CAL	HAL	HALA	119.6°	120.0°
CAR	CAL	CAK	HAK	175.4°	60.0°
CAR	CAL	CAK	HAKA	63.6°	60.0°
CAL	CAK	CAQ	HAK	120.0°	120.0°
CAL	CAK	CAQ	HAKA	119.0°	120.0°
CAL	CAK	CAQ	OAB	124.4°	0.0°
CAL	CAK	CAQ	NAN	56.1°	180.0°
CAK	CAL	HAL	HALA	119.6°	119.9°
CAL	CAK	HAK	HAKA	119.0°	119.9°
CAK	CAQ	OAB	NAN	179.4°	180.0°
CAK	CAQ	NAN	CAM	179.7°	180.0°
CAQ	CAK	CAL	HAL	64.6°	59.9°
CAQ	CAK	CAL	HALA	175.0°	60.0°
CAQ	CAK	HAK	HAKA	119.0°	120.0°
CAK	CAQ	NAN	HNAN	0.3°	0.0°
OAB	CAQ	NAN	CAM	0.2°	0.0°
OAB	CAQ	CAK	HAK	115.5°	119.9°
OAB	CAQ	CAK	HAKA	5.5°	120.0°
OAB	CAQ	NAN	HNAN	179.7°	179.9°
CAQ	NAN	CAM	HNAN	180.0°	179.9°
CAQ	NAN	CAM	CAV	175.4°	180.0°
NAN	CAQ	CAK	HAK	63.9°	60.0°
NAN	CAQ	CAK	HAKA	175.1°	60.0°
CAQ	NAN	CAM	HAM	55.4°	60.0°
CAQ	NAN	CAM	HAMA	64.8°	60.0°
NAN	CAM	CAV	HAM	120.0°	120.0°
NAN	CAM	CAV	HAMA	119.8°	120.0°
NAN	CAM	CAV	NAO	78.6°	55.0°
NAN	CAM	CAV	CAX	161.4°	175.1°
NAN	CAM	HAM	HAMA	119.8°	120.1°
NAN	CAM	CAV	HAV	41.9°	64.9°
CAM	CAV	NAO	CAX	122.2°	120.1°
CAM	CAV	NAO	HAV	118.2°	120.0°
CAM	CAV	CAX	HAV	118.2°	120.0°
CAM	CAV	NAO	CAU	173.0°	178.2°
CAM	CAV	CAX	CAY	175.2°	179.2°
CAM	CAV	CAX	OAD	54.4°	60.8°
CAV	CAM	NAN	HNAN	4.6°	0.0°
CAV	CAM	HAM	HAMA	119.8°	120.0°
CAM	CAV	NAO	HNAO	53.0°	54.2°
CAM	CAV	CAX	HAX	64.9°	59.3°
NAO	CAV	CAX	HAV	120.5°	119.9°
CAV	NAO	CAU	HNAO	120.0°	124.0°
CAV	NAO	CAU	CAA	177.4°	178.2°
CAV	NAO	CAU	CAW	60.1°	61.8°
NAO	CAV	CAX	CAY	63.5°	59.1°
NAO	CAV	CAX	OAD	175.7°	179.1°
NAO	CAV	CAM	HAM	41.4°	65.0°
NAO	CAV	CAM	HAMA	161.6°	175.0°
CAV	NAO	CAU	HAU	57.9°	58.2°
NAO	CAV	CAX	HAX	56.4°	60.8°
CAX	CAV	NAO	CAU	64.8°	61.7°
CAV	CAX	CAY	CAW	57.3°	57.6°
CAV	CAX	CAY	OAE	177.0°	177.5°
CAV	CAX	CAY	OAD	120.8°	120.0°
CAV	CAX	CAY	HAX	119.9°	119.9°
CAV	CAX	OAD	HAX	119.9°	120.1°
CAX	CAV	CAM	HAM	78.6°	55.1°
CAX	CAV	CAM	HAMA	41.6°	65.0°
CAX	CAV	NAO	HNAO	175.2°	174.2°
CAV	CAX	CAY	HAY	62.8°	62.3°
CAV	CAX	OAD	HOAD	16.5°	180.0°
NAO	CAU	CAA	CAW	122.8°	120.0°
NAO	CAU	CAA	HAU	119.2°	120.0°
NAO	CAU	CAW	HAU	119.1°	120.0°
NAO	CAU	CAW	OAC	67.7°	60.7°
NAO	CAU	CAW	CAY	53.4°	59.2°
CAU	NAO	CAV	HAV	54.8°	58.2°
NAO	CAU	CAA	HAA	133.5°	60.0°
NAO	CAU	CAA	HAAA	106.4°	179.9°
NAO	CAU	CAA	HAAB	13.5°	60.0°
NAO	CAU	CAW	HAW	172.5°	179.2°
CAA	CAU	CAW	HAU	119.5°	120.0°
CAA	CAU	CAW	OAC	53.7°	59.3°
CAA	CAU	CAW	CAY	174.8°	179.2°
CAA	CAU	NAO	HNAO	57.4°	54.2°
CAU	CAA	HAA	HAAA	120.0°	120.0°
CAU	CAA	HAA	HAAB	120.0°	120.0°
CAU	CAA	HAAA	HAAB	119.9°	120.0°
CAA	CAU	CAW	HAW	66.0°	60.9°
CAU	CAW	OAC	CAY	122.2°	119.8°
CAU	CAW	OAC	HAW	118.5°	120.1°
CAU	CAW	CAY	HAW	118.5°	119.9°
CAU	CAW	CAY	OAE	172.1°	177.6°
CAU	CAW	CAY	CAX	52.0°	57.7°
CAW	CAU	NAO	HNAO	179.9°	174.2°
CAW	CAU	CAA	HAA	10.7°	60.0°
CAW	CAU	CAA	HAAA	130.7°	59.9°
CAW	CAU	CAA	HAAB	109.3°	180.0°
CAU	CAW	OAC	HOAC	137.0°	180.0°
CAU	CAW	CAY	HAY	67.7°	62.2°
OAC	CAW	CAY	HAW	119.8°	120.1°
OAC	CAW	CAY	OAE	50.4°	57.6°
OAC	CAW	CAY	CAX	69.7°	62.3°
OAC	CAW	CAU	HAU	173.2°	179.3°
OAC	CAW	CAY	HAY	170.6°	177.8°
CAW	CAY	OAE	CAX	120.2°	119.7°
CAW	CAY	OAE	HAY	120.2°	120.2°
CAW	CAY	CAX	HAY	120.2°	119.9°
CAW	CAY	CAX	OAD	178.1°	177.6°
CAY	CAW	CAU	HAU	65.7°	60.8°
CAY	CAW	OAC	HOAC	100.8°	60.2°
CAW	CAY	OAE	HOAE	71.7°	60.1°
CAW	CAY	CAX	HAX	62.5°	62.3°
OAE	CAY	CAX	HAY	120.2°	120.2°
OAE	CAY	CAX	OAD	62.3°	62.5°
OAE	CAY	CAW	HAW	69.4°	62.5°
OAE	CAY	CAX	HAX	57.1°	57.6°
CAY	CAX	OAD	HAX	119.8°	120.1°
CAY	CAX	CAV	HAV	57.0°	60.8°
CAX	CAY	CAW	HAW	170.5°	177.6°
CAX	CAY	OAE	HOAE	168.2°	179.7°
CAY	CAX	OAD	HOAD	136.8°	60.2°
OAD	CAX	CAV	HAV	63.8°	59.2°
OAD	CAX	CAY	HAY	58.0°	57.7°
HAI	CAI	CAG	HAG	0.0°	0.1°
HAG	CAG	CAF	HAF	0.1°	0.0°
HAF	CAF	CAH	HAH	0.1°	0.0°
HNAP	NAP	CAJ	HAJ	0.2°	0.1°
HAL	CAL	CAK	HAK	55.4°	180.0°
HAL	CAL	CAK	HAKA	176.4°	60.1°
HALA	CAL	CAK	HAK	65.0°	60.1°
HALA	CAL	CAK	HAKA	56.0°	180.0°
HNAN	NAN	CAM	HAM	124.6°	120.0°
HNAN	NAN	CAM	HAMA	115.2°	119.9°
HAM	CAM	CAV	HAV	161.8°	175.1°
HAMA	CAM	CAV	HAV	77.9°	55.0°
HAV	CAV	NAO	HNAO	65.2°	65.8°
HAV	CAV	CAX	HAX	176.9°	179.3°
HNAO	NAO	CAU	HAU	62.1°	65.8°
HAU	CAU	CAA	HAA	107.3°	180.0°
HAU	CAU	CAA	HAAA	12.7°	60.1°
HAU	CAU	CAA	HAAB	132.7°	60.0°
HAU	CAU	CAW	HAW	53.4°	59.2°
HAA	CAA	HAAA	HAAB	120.0°	120.0°
HAW	CAW	OAC	HOAC	18.5°	59.9°
HAW	CAW	CAY	HAY	50.8°	57.7°
HAY	CAY	OAE	HOAE	48.5°	60.1°
HAY	CAY	CAX	HAX	177.3°	177.8°
HAX	CAX	OAD	HOAD	103.4°	60.0°

Definition date:	2008-12-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZX5