ISW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE	NA	sing	0.00Å	1.98Å
FE	ND	sing	0.00Å	2.02Å
NA	C1A	sing	0.00Å	1.38Å	Aromatic
NB	FE	sing	0.00Å	2.02Å
NB	C1B	doub	0.00Å	1.38Å
NC	FE	sing	0.00Å	2.19Å
NC	C4C	sing	0.00Å	1.38Å	Aromatic
ND	C4D	doub	0.00Å	1.38Å
C1A	C2A	sing	0.00Å	1.44Å	Aromatic
C1A	CHA	doub	0.00Å	1.37Å
C1B	CHB	sing	0.00Å	1.37Å
C1C	NC	sing	0.00Å	1.39Å	Aromatic
C1D	ND	sing	0.00Å	1.41Å
C1D	C2D	sing	0.00Å	1.43Å
O1D	HO1D	sing	0.00Å	0.95Å
C2A	CAA	sing	0.00Å	1.53Å
O2A	HO2A	sing	0.00Å	0.95Å
C2B	C1B	sing	0.00Å	1.43Å
C2C	C1C	doub	0.00Å	1.47Å	Aromatic
C2C	C3C	sing	0.00Å	1.35Å	Aromatic
C2D	CMD	sing	0.00Å	1.55Å
C2D	C3D	doub	0.00Å	1.52Å
C3A	C2A	doub	0.00Å	1.33Å	Aromatic
C3A	CMA	sing	0.00Å	1.51Å
C3B	C2B	doub	0.00Å	1.35Å
C3B	C4B	sing	0.00Å	1.44Å
C3C	C4C	doub	0.00Å	1.49Å	Aromatic
C3D	CAD	sing	0.00Å	1.53Å
C4A	NA	sing	0.00Å	1.37Å	Aromatic
C4A	C3A	sing	0.00Å	1.44Å	Aromatic
C4B	NB	sing	0.00Å	1.38Å
C4C	CHD	sing	0.00Å	1.38Å
C4D	C3D	sing	0.00Å	1.43Å
C4D	CHA	sing	0.00Å	1.38Å
CAA	CBA	sing	0.00Å	1.53Å
CAA	HAA	sing	0.00Å	1.10Å
CAA	HAAA	sing	0.00Å	1.10Å
CAB	C3B	sing	0.00Å	1.56Å
CAB	CBB	doub	0.00Å	1.54Å
CAB	HAB	sing	0.00Å	1.08Å
CAC	C3C	sing	0.00Å	1.58Å
CAC	CBC	doub	0.00Å	1.57Å
CAC	HAC	sing	0.00Å	1.08Å
CAD	CBD	sing	0.00Å	1.51Å
CAD	HAD	sing	0.00Å	1.10Å
CAD	HADA	sing	0.00Å	1.10Å
CBA	CGA	sing	0.00Å	1.50Å
CBA	HBA	sing	0.00Å	1.10Å
CBA	HBAA	sing	0.00Å	1.10Å
CBB	HBB	sing	0.00Å	1.08Å
CBB	HBBA	sing	0.00Å	1.08Å
CBC	HBC	sing	0.00Å	1.08Å
CBC	HBCA	sing	0.00Å	1.08Å
CBD	CGD	sing	0.00Å	1.51Å
CBD	HBD	sing	0.00Å	1.10Å
CBD	HBDA	sing	0.00Å	1.10Å
CGA	O1A	doub	0.00Å	1.26Å
CGA	O2A	sing	0.00Å	1.26Å
CGD	O1D	sing	0.00Å	1.25Å
CGD	O2D	doub	0.00Å	1.29Å
CHA	HHA	sing	0.00Å	1.08Å
CHB	C4A	doub	0.00Å	1.38Å
CHB	HHB	sing	0.00Å	1.08Å
CHC	C1C	sing	0.00Å	1.39Å
CHC	C4B	sing	0.00Å	1.39Å
CHC	HHC	sing	0.00Å	1.10Å
CHD	C1D	doub	0.00Å	1.39Å
CHD	HHD	sing	0.00Å	1.08Å
CMA	HMA	sing	0.00Å	1.10Å
CMA	HMAA	sing	0.00Å	1.10Å
CMA	HMAB	sing	0.00Å	1.10Å
CMB	C2B	sing	0.00Å	1.56Å
CMB	HMB	sing	0.00Å	1.10Å
CMB	HMBA	sing	0.00Å	1.10Å
CMB	HMBB	sing	0.00Å	1.10Å
CMC	C2C	sing	0.00Å	1.54Å
CMC	HMC	sing	0.00Å	1.10Å
CMC	HMCA	sing	0.00Å	1.10Å
CMC	HMCB	sing	0.00Å	1.10Å
CMD	HMD	sing	0.00Å	1.10Å
CMD	HMDA	sing	0.00Å	1.10Å
CMD	HMDB	sing	0.00Å	1.10Å
C4B	H33	sing	0.00Å	1.10Å
CHC	H34	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NA	FE	ND	86.7°	90.0°
FE	NA	C1A	129.4°	90.0°
NA	FE	NB	95.1°	90.0°
NA	FE	NC	178.0°	90.0°
FE	NA	C4A	122.2°	90.0°
ND	FE	NB	178.0°	90.0°
ND	FE	NC	93.3°	90.0°
FE	ND	C4D	130.0°	90.0°
FE	ND	C1D	119.2°	90.0°
NA	C1A	C2A	109.4°	90.0°
NA	C1A	CHA	125.5°	90.0°
C1A	NA	C4A	107.3°	90.0°
FE	NB	C1B	121.1°	90.0°
NB	FE	NC	84.8°	90.0°
FE	NB	C4B	130.3°	90.0°
NB	C1B	CHB	126.4°	90.0°
NB	C1B	C2B	108.2°	90.0°
C1B	NB	C4B	107.9°	90.0°
FE	NC	C4C	124.2°	90.0°
FE	NC	C1C	128.9°	90.0°
C4C	NC	C1C	106.9°	90.0°
NC	C4C	C3C	108.6°	90.0°
NC	C4C	CHD	121.5°	90.0°
C4D	ND	C1D	110.8°	90.0°
ND	C4D	C3D	110.2°	90.0°
ND	C4D	CHA	123.9°	90.0°
C2A	C1A	CHA	125.1°	90.0°
C1A	C2A	CAA	123.4°	90.0°
C1A	C2A	C3A	106.3°	90.0°
C1A	CHA	C4D	123.3°	90.0°
C1A	CHA	HHA	118.4°	90.0°
CHB	C1B	C2B	125.3°	90.0°
C1B	CHB	C4A	126.8°	90.0°
C1B	CHB	HHB	116.6°	90.0°
NC	C1C	C2C	108.9°	90.0°
NC	C1C	CHC	122.8°	90.0°
ND	C1D	C2D	107.8°	90.0°
ND	C1D	CHD	131.4°	90.0°
C1D	C2D	CMD	124.9°	90.0°
C1D	C2D	C3D	106.9°	90.0°
C2D	C1D	CHD	120.8°	90.0°
HO1D	O1D	CGD	109.5°	90.0°
CAA	C2A	C3A	130.3°	90.0°
C2A	CAA	CBA	103.6°	90.0°
C2A	CAA	HAA	111.5°	90.0°
C2A	CAA	HAAA	111.5°	90.0°
HO2A	O2A	CGA	109.5°	90.0°
C1B	C2B	C3B	107.9°	90.0°
C1B	C2B	CMB	122.3°	90.0°
C1C	C2C	C3C	106.4°	90.0°
C2C	C1C	CHC	127.5°	90.0°
C1C	C2C	CMC	122.0°	90.0°
C2C	C3C	C4C	106.3°	90.0°
C2C	C3C	CAC	122.1°	90.0°
C3C	C2C	CMC	122.3°	90.0°
CMD	C2D	C3D	128.1°	90.0°
C2D	CMD	HMD	109.5°	90.0°
C2D	CMD	HMDA	109.5°	90.0°
C2D	CMD	HMDB	109.5°	90.0°
C2D	C3D	CAD	124.8°	90.0°
C2D	C3D	C4D	104.3°	90.0°
C2A	C3A	CMA	127.3°	90.0°
C2A	C3A	C4A	109.4°	90.0°
CMA	C3A	C4A	123.2°	90.0°
C3A	CMA	HMA	109.5°	90.0°
C3A	CMA	HMAA	109.4°	90.0°
C3A	CMA	HMAB	109.5°	90.0°
C2B	C3B	C4B	108.0°	90.0°
C2B	C3B	CAB	127.9°	90.0°
C3B	C2B	CMB	129.5°	90.0°
C3B	C4B	NB	107.9°	90.0°
C4B	C3B	CAB	123.8°	90.0°
C3B	C4B	CHC	125.8°	90.0°
C3B	C4B	H33	127.3°	90.0°
C3C	C4C	CHD	129.6°	90.0°
C4C	C3C	CAC	131.3°	90.0°
CAD	C3D	C4D	130.9°	90.0°
C3D	CAD	CBD	113.5°	90.0°
C3D	CAD	HAD	108.1°	90.0°
C3D	CAD	HADA	108.1°	90.0°
NA	C4A	C3A	107.6°	90.0°
NA	C4A	CHB	126.6°	90.0°
C3A	C4A	CHB	125.8°	90.0°
NB	C4B	CHC	126.3°	90.0°
NB	C4B	H33	124.4°	90.0°
C4C	CHD	C1D	129.6°	90.0°
C4C	CHD	HHD	115.2°	90.0°
C3D	C4D	CHA	125.8°	90.0°
C4D	CHA	HHA	118.4°	90.0°
CBA	CAA	HAA	111.5°	90.0°
CBA	CAA	HAAA	111.5°	90.0°
CAA	CBA	CGA	111.3°	90.0°
CAA	CBA	HBA	108.9°	90.0°
CAA	CBA	HBAA	108.9°	90.0°
HAA	CAA	HAAA	107.4°	90.0°
C3B	CAB	CBB	108.8°	90.0°
C3B	CAB	HAB	125.6°	90.0°
CBB	CAB	HAB	125.6°	90.0°
CAB	CBB	HBB	120.0°	90.0°
CAB	CBB	HBBA	120.0°	90.0°
C3C	CAC	CBC	122.8°	90.0°
C3C	CAC	HAC	118.6°	90.0°
CBC	CAC	HAC	118.6°	90.0°
CAC	CBC	HBC	120.0°	90.0°
CAC	CBC	HBCA	120.0°	90.0°
CBD	CAD	HAD	108.1°	90.0°
CBD	CAD	HADA	108.1°	90.0°
CAD	CBD	CGD	105.8°	90.0°
CAD	CBD	HBD	110.7°	90.0°
CAD	CBD	HBDA	110.7°	90.0°
HAD	CAD	HADA	110.8°	90.0°
CGA	CBA	HBA	108.9°	90.0°
CGA	CBA	HBAA	108.9°	90.0°
CBA	CGA	O1A	116.0°	90.0°
CBA	CGA	O2A	122.6°	90.0°
HBA	CBA	HBAA	110.0°	90.0°
HBB	CBB	HBBA	120.0°	90.0°
HBC	CBC	HBCA	120.0°	90.0°
CGD	CBD	HBD	110.7°	90.0°
CGD	CBD	HBDA	110.7°	90.0°
CBD	CGD	O1D	117.7°	90.0°
CBD	CGD	O2D	120.5°	90.0°
HBD	CBD	HBDA	108.2°	90.0°
O1A	CGA	O2A	121.3°	90.0°
O1D	CGD	O2D	121.7°	90.0°
C4A	CHB	HHB	116.6°	90.0°
C1C	CHC	C4B	125.9°	90.0°
C1C	CHC	HHC	104.3°	90.0°
C1C	CHC	H34	104.3°	90.0°
C4B	CHC	HHC	104.3°	90.0°
CHC	C4B	H33	6.5°	90.0°
C4B	CHC	H34	104.3°	90.0°
HHC	CHC	H34	114.1°	90.0°
C1D	CHD	HHD	115.2°	90.0°
HMA	CMA	HMAA	109.5°	90.0°
HMA	CMA	HMAB	109.5°	90.0°
HMAA	CMA	HMAB	109.5°	90.0°
C2B	CMB	HMB	109.5°	90.0°
C2B	CMB	HMBA	109.5°	90.0°
C2B	CMB	HMBB	109.4°	90.0°
HMB	CMB	HMBA	109.5°	90.0°
HMB	CMB	HMBB	109.5°	90.0°
HMBA	CMB	HMBB	109.5°	90.0°
C2C	CMC	HMC	109.5°	90.0°
C2C	CMC	HMCA	109.4°	90.0°
C2C	CMC	HMCB	109.4°	90.0°
HMC	CMC	HMCA	109.5°	90.0°
HMC	CMC	HMCB	109.4°	90.0°
HMCA	CMC	HMCB	109.5°	90.0°
HMD	CMD	HMDA	109.5°	90.0°
HMD	CMD	HMDB	109.4°	90.0°
HMDA	CMD	HMDB	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NA	FE	ND	NB	157.3°	90.0°
NA	FE	ND	NC	178.0°	90.0°
FE	NA	C1A	C4A	167.9°	90.0°
NA	FE	NB	NC	178.0°	90.0°
NA	FE	NB	C1B	1.6°	90.0°
NA	FE	NC	C4C	98.1°	90.0°
NA	FE	ND	C4D	2.4°	90.0°
FE	NA	C1A	C2A	169.0°	90.0°
FE	NA	C1A	CHA	12.1°	90.0°
NA	FE	NC	C1C	84.6°	90.0°
NA	FE	ND	C1D	176.2°	90.0°
FE	NA	C4A	C3A	170.8°	90.0°
NA	FE	NB	C4B	167.6°	90.0°
FE	NA	C4A	CHB	11.4°	90.0°
ND	FE	NA	C1A	3.6°	90.0°
ND	FE	NB	NC	20.8°	90.0°
ND	FE	NB	C1B	158.8°	90.0°
ND	FE	NC	C4C	8.2°	90.0°
FE	ND	C4D	C1D	178.7°	90.0°
ND	FE	NC	C1C	174.5°	90.0°
FE	ND	C1D	C2D	178.8°	90.0°
ND	FE	NA	C4A	169.9°	90.0°
ND	FE	NB	C4B	10.4°	90.0°
FE	ND	C4D	C3D	178.2°	90.0°
FE	ND	C4D	CHA	0.8°	90.0°
FE	ND	C1D	CHD	0.8°	90.0°
C1A	NA	FE	NB	177.2°	90.0°
C1A	NA	FE	NC	93.6°	90.0°
NA	C1A	C2A	CHA	178.9°	90.0°
NA	C1A	C2A	CAA	178.0°	90.0°
NA	C1A	C2A	C3A	0.0°	90.0°
C1A	NA	C4A	C3A	1.8°	90.0°
NA	C1A	CHA	C4D	14.1°	90.0°
NA	C1A	CHA	HHA	165.9°	90.0°
C1A	NA	C4A	CHB	179.6°	90.0°
FE	NB	C1B	C4B	171.4°	90.0°
NB	FE	NC	C4C	172.5°	90.0°
NB	FE	ND	C4D	154.9°	90.0°
FE	NB	C1B	CHB	9.0°	90.0°
NB	FE	NC	C1C	4.8°	90.0°
NB	FE	ND	C1D	26.5°	90.0°
FE	NB	C1B	C2B	168.2°	90.0°
FE	NB	C4B	C3B	169.5°	90.0°
NB	FE	NA	C4A	10.8°	90.0°
FE	NB	C4B	CHC	11.7°	90.0°
FE	NB	C4B	H33	4.0°	90.0°
C1B	NB	FE	NC	179.6°	90.0°
NB	C1B	CHB	C2B	176.7°	90.0°
NB	C1B	C2B	C3B	4.6°	90.0°
C1B	NB	C4B	C3B	0.8°	90.0°
NB	C1B	CHB	C4A	12.7°	90.0°
NB	C1B	CHB	HHB	167.4°	90.0°
C1B	NB	C4B	CHC	178.0°	90.0°
NB	C1B	C2B	CMB	178.4°	90.0°
C1B	NB	C4B	H33	174.3°	90.0°
FE	NC	C4C	C1C	177.8°	90.0°
NC	FE	ND	C4D	175.6°	90.0°
NC	FE	ND	C1D	5.7°	90.0°
FE	NC	C1C	C2C	170.9°	90.0°
FE	NC	C4C	C3C	179.4°	90.0°
NC	FE	NA	C4A	100.0°	90.0°
NC	FE	NB	C4B	10.4°	90.0°
FE	NC	C4C	CHD	5.0°	90.0°
FE	NC	C1C	CHC	0.4°	90.0°
C4C	NC	C1C	C2C	11.4°	90.0°
NC	C4C	C3C	C2C	9.5°	90.0°
NC	C4C	C3C	CHD	175.1°	90.0°
NC	C4C	C3C	CAC	177.3°	90.0°
C4C	NC	C1C	CHC	178.1°	90.0°
NC	C4C	CHD	C1D	2.9°	90.0°
NC	C4C	CHD	HHD	177.0°	90.0°
ND	C4D	CHA	C1A	7.5°	90.0°
C4D	ND	C1D	C2D	0.1°	90.0°
ND	C4D	C3D	C2D	0.7°	90.0°
ND	C4D	C3D	CAD	179.0°	90.0°
ND	C4D	C3D	CHA	177.3°	90.0°
ND	C4D	CHA	HHA	172.5°	90.0°
C4D	ND	C1D	CHD	179.7°	90.0°
C1A	C2A	CAA	C3A	177.4°	90.0°
C1A	C2A	C3A	CMA	179.1°	90.0°
C2A	C1A	NA	C4A	1.1°	90.0°
C1A	C2A	C3A	C4A	1.1°	90.0°
C2A	C1A	CHA	C4D	167.2°	90.0°
C1A	C2A	CAA	CBA	86.2°	90.0°
C1A	C2A	CAA	HAA	153.8°	90.0°
C1A	C2A	CAA	HAAA	33.8°	90.0°
C2A	C1A	CHA	HHA	12.8°	90.0°
CHA	C1A	C2A	CAA	0.9°	90.0°
CHA	C1A	C2A	C3A	178.8°	90.0°
CHA	C1A	NA	C4A	180.0°	90.0°
C1A	CHA	C4D	C3D	169.4°	90.0°
C1A	CHA	C4D	HHA	180.0°	90.0°
CHB	C1B	C2B	C3B	178.2°	90.0°
C1B	CHB	C4A	NA	1.0°	90.0°
C1B	CHB	C4A	C3A	176.4°	90.0°
CHB	C1B	NB	C4B	179.6°	90.0°
C1B	CHB	C4A	HHB	180.0°	90.0°
CHB	C1B	C2B	CMB	4.4°	90.0°
NC	C1C	C2C	CHC	170.0°	90.0°
NC	C1C	C2C	C3C	17.7°	90.0°
C1C	NC	C4C	C3C	1.6°	90.0°
C1C	NC	C4C	CHD	177.1°	90.0°
NC	C1C	CHC	C4B	3.2°	90.0°
NC	C1C	CHC	HHC	116.8°	90.0°
NC	C1C	C2C	CMC	164.9°	90.0°
NC	C1C	CHC	H34	123.3°	90.0°
ND	C1D	C2D	CHD	179.6°	90.0°
ND	C1D	C2D	CMD	178.6°	90.0°
ND	C1D	C2D	C3D	0.4°	90.0°
ND	C1D	CHD	C4C	5.8°	90.0°
C1D	ND	C4D	C3D	0.6°	90.0°
C1D	ND	C4D	CHA	177.9°	90.0°
ND	C1D	CHD	HHD	174.2°	90.0°
C1D	C2D	CMD	C3D	178.7°	90.0°
C1D	C2D	C3D	CAD	179.1°	90.0°
C2D	C1D	CHD	C4C	174.7°	90.0°
C1D	C2D	C3D	C4D	0.7°	90.0°
C2D	C1D	CHD	HHD	5.3°	90.0°
C1D	C2D	CMD	HMD	180.0°	90.0°
C1D	C2D	CMD	HMDA	60.0°	90.0°
C1D	C2D	CMD	HMDB	60.0°	90.0°
HO1D	O1D	CGD	CBD	176.4°	90.0°
HO1D	O1D	CGD	O2D	0.0°	90.0°
CAA	C2A	C3A	CMA	3.1°	90.0°
CAA	C2A	C3A	C4A	178.9°	90.0°
C2A	CAA	CBA	HAA	120.0°	90.0°
C2A	CAA	CBA	HAAA	120.0°	90.0°
C2A	CAA	HAA	HAAA	122.4°	90.0°
C2A	CAA	CBA	CGA	175.8°	90.0°
C2A	CAA	CBA	HBA	55.8°	90.0°
C2A	CAA	CBA	HBAA	64.2°	90.0°
HO2A	O2A	CGA	CBA	178.6°	90.0°
HO2A	O2A	CGA	O1A	0.0°	90.0°
C1B	C2B	C3B	CMB	173.2°	90.0°
C1B	C2B	C3B	C4B	4.0°	90.0°
C2B	C1B	NB	C4B	3.2°	90.0°
C1B	C2B	C3B	CAB	179.0°	90.0°
C2B	C1B	CHB	C4A	164.1°	90.0°
C2B	C1B	CHB	HHB	15.9°	90.0°
C1B	C2B	CMB	HMB	180.0°	90.0°
C1B	C2B	CMB	HMBA	60.0°	90.0°
C1B	C2B	CMB	HMBB	60.0°	90.0°
C1C	C2C	C3C	CMC	147.1°	90.0°
C1C	C2C	C3C	C4C	15.9°	90.0°
C1C	C2C	C3C	CAC	170.2°	90.0°
C2C	C1C	CHC	C4B	171.9°	90.0°
C2C	C1C	CHC	HHC	51.9°	90.0°
C1C	C2C	CMC	HMC	108.8°	90.0°
C1C	C2C	CMC	HMCA	131.1°	90.0°
C1C	C2C	CMC	HMCB	11.1°	90.0°
C2C	C1C	CHC	H34	68.0°	90.0°
C2C	C3C	C4C	CAC	173.2°	90.0°
C2C	C3C	C4C	CHD	165.6°	90.0°
C2C	C3C	CAC	CBC	129.0°	90.0°
C2C	C3C	CAC	HAC	50.9°	90.0°
C3C	C2C	C1C	CHC	172.4°	90.0°
C3C	C2C	CMC	HMC	109.1°	90.0°
C3C	C2C	CMC	HMCA	11.0°	90.0°
C3C	C2C	CMC	HMCB	131.0°	90.0°
CMD	C2D	C3D	CAD	2.0°	90.0°
CMD	C2D	C3D	C4D	178.2°	90.0°
CMD	C2D	C1D	CHD	1.8°	90.0°
C2D	CMD	HMD	HMDA	120.0°	90.0°
C2D	CMD	HMD	HMDB	120.0°	90.0°
C2D	CMD	HMDA	HMDB	120.0°	90.0°
C2D	C3D	CAD	C4D	179.7°	90.0°
C2D	C3D	C4D	CHA	178.0°	90.0°
C2D	C3D	CAD	CBD	113.3°	90.0°
C2D	C3D	CAD	HAD	126.7°	90.0°
C2D	C3D	CAD	HADA	6.7°	90.0°
C3D	C2D	C1D	CHD	179.3°	90.0°
C3D	C2D	CMD	HMD	1.3°	90.0°
C3D	C2D	CMD	HMDA	121.3°	90.0°
C3D	C2D	CMD	HMDB	118.7°	90.0°
C2A	C3A	CMA	C4A	177.7°	90.0°
C2A	C3A	C4A	NA	1.9°	90.0°
C3A	C2A	CAA	CBA	91.2°	90.0°
C3A	C2A	CAA	HAA	28.8°	90.0°
C3A	C2A	CAA	HAAA	148.8°	90.0°
C2A	C3A	C4A	CHB	179.7°	90.0°
C2A	C3A	CMA	HMA	180.0°	90.0°
C2A	C3A	CMA	HMAA	60.0°	90.0°
C2A	C3A	CMA	HMAB	60.0°	90.0°
CMA	C3A	C4A	NA	180.0°	90.0°
CMA	C3A	C4A	CHB	2.2°	90.0°
C3A	CMA	HMA	HMAA	120.0°	90.0°
C3A	CMA	HMA	HMAB	120.0°	90.0°
C3A	CMA	HMAA	HMAB	120.0°	90.0°
C2B	C3B	C4B	CAB	175.2°	90.0°
C2B	C3B	C4B	NB	2.1°	90.0°
C2B	C3B	CAB	CBB	41.9°	90.0°
C2B	C3B	CAB	HAB	138.1°	90.0°
C2B	C3B	C4B	CHC	179.1°	90.0°
C3B	C2B	CMB	HMB	7.6°	90.0°
C3B	C2B	CMB	HMBA	112.4°	90.0°
C3B	C2B	CMB	HMBB	127.6°	90.0°
C2B	C3B	C4B	H33	171.2°	90.0°
C3B	C4B	NB	CHC	178.8°	90.0°
C3B	C4B	NB	H33	173.5°	90.0°
C4B	C3B	CAB	CBB	132.3°	90.0°
C4B	C3B	CAB	HAB	47.7°	90.0°
C3B	C4B	CHC	C1C	178.8°	90.0°
C3B	C4B	CHC	H33	106.1°	90.0°
C3B	C4B	CHC	HHC	58.8°	90.0°
C4B	C3B	C2B	CMB	177.3°	90.0°
C3B	C4B	CHC	H34	61.2°	90.0°
C4C	C3C	CAC	CBC	43.2°	90.0°
C4C	C3C	CAC	HAC	136.8°	90.0°
C3C	C4C	CHD	C1D	171.6°	90.0°
C3C	C4C	CHD	HHD	8.4°	90.0°
C4C	C3C	C2C	CMC	163.0°	90.0°
CAD	C3D	C4D	CHA	1.7°	90.0°
C3D	CAD	CBD	HAD	120.0°	90.0°
C3D	CAD	CBD	HADA	120.0°	90.0°
C3D	CAD	HAD	HADA	118.4°	90.0°
C3D	CAD	CBD	CGD	164.7°	90.0°
C3D	CAD	CBD	HBD	75.3°	90.0°
C3D	CAD	CBD	HBDA	44.7°	90.0°
NA	C4A	C3A	CHB	177.8°	90.0°
NA	C4A	CHB	HHB	179.0°	90.0°
C3A	C4A	CHB	HHB	3.6°	90.0°
C4A	C3A	CMA	HMA	2.3°	90.0°
C4A	C3A	CMA	HMAA	117.7°	90.0°
C4A	C3A	CMA	HMAB	122.3°	90.0°
NB	C4B	C3B	CAB	177.3°	90.0°
NB	C4B	CHC	C1C	2.6°	90.0°
NB	C4B	CHC	H33	75.3°	90.0°
NB	C4B	CHC	HHC	122.6°	90.0°
NB	C4B	CHC	H34	117.4°	90.0°
CHD	C4C	C3C	CAC	7.6°	90.0°
C4C	CHD	C1D	HHD	180.0°	90.0°
C4D	C3D	CAD	CBD	67.1°	90.0°
C4D	C3D	CAD	HAD	52.9°	90.0°
C4D	C3D	CAD	HADA	173.0°	90.0°
C3D	C4D	CHA	HHA	10.6°	90.0°
CBA	CAA	HAA	HAAA	122.4°	90.0°
CAA	CBA	CGA	HBA	120.0°	90.0°
CAA	CBA	CGA	HBAA	120.0°	90.0°
CAA	CBA	HBA	HBAA	119.3°	90.0°
CAA	CBA	CGA	O1A	163.8°	90.0°
CAA	CBA	CGA	O2A	17.5°	90.0°
HAA	CAA	CBA	CGA	64.2°	90.0°
HAA	CAA	CBA	HBA	175.8°	90.0°
HAA	CAA	CBA	HBAA	55.8°	90.0°
HAAA	CAA	CBA	CGA	55.8°	90.0°
HAAA	CAA	CBA	HBA	64.2°	90.0°
HAAA	CAA	CBA	HBAA	175.8°	90.0°
C3B	CAB	CBB	HAB	180.0°	90.0°
C3B	CAB	CBB	HBB	180.0°	90.0°
C3B	CAB	CBB	HBBA	0.0°	90.0°
CAB	C3B	C4B	CHC	3.9°	90.0°
CAB	C3B	C2B	CMB	7.8°	90.0°
CAB	C3B	C4B	H33	4.0°	90.0°
CAB	CBB	HBB	HBBA	180.0°	90.0°
HAB	CAB	CBB	HBB	0.0°	90.0°
HAB	CAB	CBB	HBBA	180.0°	90.0°
C3C	CAC	CBC	HAC	180.0°	90.0°
C3C	CAC	CBC	HBC	180.0°	90.0°
C3C	CAC	CBC	HBCA	0.0°	90.0°
CAC	C3C	C2C	CMC	23.1°	90.0°
CAC	CBC	HBC	HBCA	180.0°	90.0°
HAC	CAC	CBC	HBC	0.0°	90.0°
HAC	CAC	CBC	HBCA	180.0°	90.0°
CBD	CAD	HAD	HADA	118.3°	90.0°
CAD	CBD	CGD	HBD	120.0°	90.0°
CAD	CBD	CGD	HBDA	120.0°	90.0°
CAD	CBD	HBD	HBDA	121.5°	90.0°
CAD	CBD	CGD	O1D	135.4°	90.0°
CAD	CBD	CGD	O2D	48.2°	90.0°
HAD	CAD	CBD	CGD	44.7°	90.0°
HAD	CAD	CBD	HBD	164.7°	90.0°
HAD	CAD	CBD	HBDA	75.3°	90.0°
HADA	CAD	CBD	CGD	75.3°	90.0°
HADA	CAD	CBD	HBD	44.7°	90.0°
HADA	CAD	CBD	HBDA	164.7°	90.0°
CGA	CBA	HBA	HBAA	119.3°	90.0°
CBA	CGA	O1A	O2A	178.7°	90.0°
HBA	CBA	CGA	O1A	76.2°	90.0°
HBA	CBA	CGA	O2A	102.5°	90.0°
HBAA	CBA	CGA	O1A	43.8°	90.0°
HBAA	CBA	CGA	O2A	137.5°	90.0°
CGD	CBD	HBD	HBDA	121.5°	90.0°
CBD	CGD	O1D	O2D	176.4°	90.0°
HBD	CBD	CGD	O1D	15.4°	90.0°
HBD	CBD	CGD	O2D	168.2°	90.0°
HBDA	CBD	CGD	O1D	104.6°	90.0°
HBDA	CBD	CGD	O2D	71.8°	90.0°
C1C	CHC	C4B	HHC	120.0°	90.0°
C1C	CHC	C4B	H34	120.0°	90.0°
C1C	CHC	HHC	H34	113.2°	90.0°
CHC	C1C	C2C	CMC	25.1°	90.0°
C1C	CHC	C4B	H33	72.7°	90.0°
C4B	CHC	HHC	H34	113.2°	90.0°
HHC	CHC	C4B	H33	47.3°	90.0°
HMA	CMA	HMAA	HMAB	120.0°	90.0°
C2B	CMB	HMB	HMBA	120.0°	90.0°
C2B	CMB	HMB	HMBB	120.0°	90.0°
C2B	CMB	HMBA	HMBB	120.0°	90.0°
HMB	CMB	HMBA	HMBB	120.0°	90.0°
C2C	CMC	HMC	HMCA	120.0°	90.0°
C2C	CMC	HMC	HMCB	120.0°	90.0°
C2C	CMC	HMCA	HMCB	120.0°	90.0°
HMC	CMC	HMCA	HMCB	120.0°	90.0°
HMD	CMD	HMDA	HMDB	120.0°	90.0°
H33	C4B	CHC	H34	167.3°	90.0°

Release date:	2013-09-04
Definition date:	2011-06-02
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3Q4E