HEC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE	NA	sing	0.00Å	2.01Å
FE	NB	sing	0.00Å	2.00Å
FE	NC	sing	0.00Å	2.00Å
FE	ND	sing	0.00Å	2.01Å
CHA	C1A	doub	0.00Å	1.38Å
CHA	C4D	sing	0.00Å	1.38Å
CHA	HHA	sing	0.00Å	1.10Å
CHB	C4A	doub	0.00Å	1.37Å
CHB	C1B	sing	0.00Å	1.37Å
CHB	HHB	sing	0.00Å	1.10Å
CHC	C4B	doub	0.00Å	1.38Å
CHC	C1C	sing	0.00Å	1.38Å
CHC	HHC	sing	0.00Å	1.10Å
CHD	C4C	doub	0.00Å	1.38Å
CHD	C1D	sing	0.00Å	1.38Å
CHD	HHD	sing	0.00Å	1.10Å
NA	C1A	sing	0.00Å	1.38Å	Aromatic
NA	C4A	sing	0.00Å	1.39Å	Aromatic
C1A	C2A	sing	0.00Å	1.45Å	Aromatic
C2A	C3A	doub	0.00Å	1.34Å	Aromatic
C2A	CAA	sing	0.00Å	1.54Å
C3A	C4A	sing	0.00Å	1.44Å	Aromatic
C3A	CMA	sing	0.00Å	1.55Å
CMA	HMA1	sing	0.00Å	1.11Å
CMA	HMA2	sing	0.00Å	1.11Å
CMA	HMA3	sing	0.00Å	1.11Å
CAA	CBA	sing	0.00Å	1.54Å
CAA	HAA1	sing	0.00Å	1.11Å
CAA	HAA2	sing	0.00Å	1.11Å
CBA	CGA	sing	0.00Å	1.51Å
CBA	HBA1	sing	0.00Å	1.11Å
CBA	HBA2	sing	0.00Å	1.12Å
CGA	O1A	doub	0.00Å	1.26Å
CGA	O2A	sing	0.00Å	1.26Å
O2A	H2A	sing	0.00Å	0.95Å
NB	C1B	sing	0.00Å	1.39Å	Aromatic
NB	C4B	sing	0.00Å	1.37Å	Aromatic
C1B	C2B	doub	0.00Å	1.43Å	Aromatic
C2B	C3B	sing	0.00Å	1.34Å	Aromatic
C2B	CMB	sing	0.00Å	1.55Å
C3B	C4B	sing	0.00Å	1.43Å	Aromatic
C3B	CAB	doub	0.00Å	1.57Å
CMB	HMB1	sing	0.00Å	1.11Å
CMB	HMB2	sing	0.00Å	1.12Å
CMB	HMB3	sing	0.00Å	1.11Å
CAB	CBB	sing	0.00Å	1.41Å
CAB	HAB	sing	0.00Å	1.10Å
CBB	HBB1	sing	0.00Å	1.11Å
CBB	HBB2	sing	0.00Å	1.11Å
CBB	HBB3	sing	0.00Å	1.11Å
NC	C1C	sing	0.00Å	1.38Å	Aromatic
NC	C4C	sing	0.00Å	1.39Å	Aromatic
C1C	C2C	doub	0.00Å	1.46Å	Aromatic
C2C	C3C	sing	0.00Å	1.34Å	Aromatic
C2C	CMC	sing	0.00Å	1.54Å
C3C	C4C	sing	0.00Å	1.43Å	Aromatic
C3C	CAC	doub	0.00Å	1.58Å
CMC	HMC1	sing	0.00Å	1.12Å
CMC	HMC2	sing	0.00Å	1.12Å
CMC	HMC3	sing	0.00Å	1.11Å
CAC	CBC	sing	0.00Å	1.36Å
CAC	HAC	sing	0.00Å	1.10Å
CBC	HBC1	sing	0.00Å	1.12Å
CBC	HBC2	sing	0.00Å	1.11Å
CBC	HBC3	sing	0.00Å	1.11Å
ND	C1D	sing	0.00Å	1.38Å	Aromatic
ND	C4D	sing	0.00Å	1.37Å	Aromatic
C1D	C2D	doub	0.00Å	1.44Å	Aromatic
C2D	C3D	sing	0.00Å	1.33Å	Aromatic
C2D	CMD	sing	0.00Å	1.55Å
C3D	C4D	doub	0.00Å	1.46Å	Aromatic
C3D	CAD	sing	0.00Å	1.54Å
CMD	HMD1	sing	0.00Å	1.11Å
CMD	HMD2	sing	0.00Å	1.12Å
CMD	HMD3	sing	0.00Å	1.11Å
CAD	CBD	sing	0.00Å	1.52Å
CAD	HAD1	sing	0.00Å	1.12Å
CAD	HAD2	sing	0.00Å	1.12Å
CBD	CGD	sing	0.00Å	1.50Å
CBD	HBD1	sing	0.00Å	1.11Å
CBD	HBD2	sing	0.00Å	1.12Å
CGD	O1D	doub	0.00Å	1.26Å
CGD	O2D	sing	0.00Å	1.26Å
O2D	H2D	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NA	FE	NB	90.5°	90.0°
NA	FE	NC	178.6°	90.0°
NA	FE	ND	89.0°	90.0°
FE	NA	C1A	127.7°	90.0°
FE	NA	C4A	126.5°	90.0°
NB	FE	NC	89.3°	90.0°
NB	FE	ND	177.4°	90.0°
FE	NB	C1B	126.1°	90.0°
FE	NB	C4B	127.0°	90.0°
NC	FE	ND	91.1°	90.0°
FE	NC	C1C	127.1°	90.0°
FE	NC	C4C	127.1°	90.0°
FE	ND	C1D	125.4°	90.0°
FE	ND	C4D	127.3°	90.0°
C1A	CHA	C4D	124.5°	90.0°
C1A	CHA	HHA	117.9°	90.0°
CHA	C1A	NA	125.1°	90.0°
CHA	C1A	C2A	125.4°	90.0°
C4D	CHA	HHA	117.6°	90.0°
CHA	C4D	ND	126.0°	90.0°
CHA	C4D	C3D	125.4°	90.0°
C4A	CHB	C1B	125.5°	90.0°
C4A	CHB	HHB	117.2°	90.0°
CHB	C4A	NA	125.3°	90.0°
CHB	C4A	C3A	125.0°	90.0°
C1B	CHB	HHB	117.3°	90.0°
CHB	C1B	NB	125.9°	90.0°
CHB	C1B	C2B	125.0°	90.0°
C4B	CHC	C1C	122.8°	90.0°
C4B	CHC	HHC	118.8°	90.0°
CHC	C4B	NB	126.9°	90.0°
CHC	C4B	C3B	124.7°	90.0°
C1C	CHC	HHC	118.4°	90.0°
CHC	C1C	NC	126.4°	90.0°
CHC	C1C	C2C	123.6°	90.0°
C4C	CHD	C1D	127.4°	90.0°
C4C	CHD	HHD	116.1°	90.0°
CHD	C4C	NC	123.5°	90.0°
CHD	C4C	C3C	127.6°	90.0°
C1D	CHD	HHD	116.5°	90.0°
CHD	C1D	ND	125.4°	90.0°
CHD	C1D	C2D	126.3°	90.0°
C1A	NA	C4A	105.8°	90.0°
NA	C1A	C2A	109.5°	90.0°
NA	C4A	C3A	109.7°	90.0°
C1A	C2A	C3A	107.5°	90.0°
C1A	C2A	CAA	123.4°	90.0°
C3A	C2A	CAA	129.1°	90.0°
C2A	C3A	C4A	107.5°	90.0°
C2A	C3A	CMA	128.9°	90.0°
C2A	CAA	CBA	113.1°	90.0°
C2A	CAA	HAA1	110.9°	90.0°
C2A	CAA	HAA2	110.9°	90.0°
C4A	C3A	CMA	123.6°	90.0°
C3A	CMA	HMA1	128.8°	90.0°
C3A	CMA	HMA2	105.4°	90.0°
C3A	CMA	HMA3	105.4°	90.0°
HMA1	CMA	HMA2	105.5°	90.0°
HMA1	CMA	HMA3	105.5°	90.0°
HMA2	CMA	HMA3	103.8°	90.0°
CBA	CAA	HAA1	110.9°	90.0°
CBA	CAA	HAA2	110.9°	90.0°
CAA	CBA	CGA	113.5°	90.0°
CAA	CBA	HBA1	110.8°	90.0°
CAA	CBA	HBA2	110.7°	90.0°
HAA1	CAA	HAA2	99.5°	90.0°
CGA	CBA	HBA1	110.7°	90.0°
CGA	CBA	HBA2	110.7°	90.0°
CBA	CGA	O1A	115.9°	90.0°
CBA	CGA	O2A	115.4°	90.0°
HBA1	CBA	HBA2	99.5°	90.0°
O1A	CGA	O2A	128.7°	90.0°
CGA	O2A	H2A	115.4°	90.0°
C1B	NB	C4B	106.9°	90.0°
NB	C1B	C2B	109.0°	90.0°
NB	C4B	C3B	108.4°	90.0°
C1B	C2B	C3B	107.0°	90.0°
C1B	C2B	CMB	123.7°	90.0°
C3B	C2B	CMB	129.3°	90.0°
C2B	C3B	C4B	108.7°	90.0°
C2B	C3B	CAB	124.9°	90.0°
C2B	CMB	HMB1	123.7°	90.0°
C2B	CMB	HMB2	107.1°	90.0°
C2B	CMB	HMB3	107.2°	90.0°
C4B	C3B	CAB	126.4°	90.0°
C3B	CAB	CBB	109.9°	90.0°
C3B	CAB	HAB	129.4°	90.0°
HMB1	CMB	HMB2	107.1°	90.0°
HMB1	CMB	HMB3	107.2°	90.0°
HMB2	CMB	HMB3	102.6°	90.0°
CBB	CAB	HAB	120.7°	90.0°
CAB	CBB	HBB1	109.9°	90.0°
CAB	CBB	HBB2	112.0°	90.0°
CAB	CBB	HBB3	112.0°	90.0°
HBB1	CBB	HBB2	112.1°	90.0°
HBB1	CBB	HBB3	112.1°	90.0°
HBB2	CBB	HBB3	98.4°	90.0°
C1C	NC	C4C	105.8°	90.0°
NC	C1C	C2C	109.9°	90.0°
NC	C4C	C3C	108.9°	90.0°
C1C	C2C	C3C	105.9°	90.0°
C1C	C2C	CMC	124.6°	90.0°
C3C	C2C	CMC	129.5°	90.0°
C2C	C3C	C4C	109.4°	90.0°
C2C	C3C	CAC	125.6°	90.0°
C2C	CMC	HMC1	124.6°	90.0°
C2C	CMC	HMC2	106.8°	90.0°
C2C	CMC	HMC3	106.9°	90.0°
C4C	C3C	CAC	124.8°	90.0°
C3C	CAC	CBC	113.9°	90.0°
C3C	CAC	HAC	129.5°	90.0°
HMC1	CMC	HMC2	106.8°	90.0°
HMC1	CMC	HMC3	106.9°	90.0°
HMC2	CMC	HMC3	102.8°	90.0°
CBC	CAC	HAC	116.6°	90.0°
CAC	CBC	HBC1	113.9°	90.0°
CAC	CBC	HBC2	110.6°	90.0°
CAC	CBC	HBC3	110.6°	90.0°
HBC1	CBC	HBC2	110.6°	90.0°
HBC1	CBC	HBC3	110.6°	90.0°
HBC2	CBC	HBC3	99.7°	90.0°
C1D	ND	C4D	107.3°	90.0°
ND	C1D	C2D	108.3°	90.0°
ND	C4D	C3D	108.6°	90.0°
C1D	C2D	C3D	108.4°	90.0°
C1D	C2D	CMD	122.1°	90.0°
C3D	C2D	CMD	129.5°	90.0°
C2D	C3D	C4D	107.3°	90.0°
C2D	C3D	CAD	129.6°	90.0°
C2D	CMD	HMD1	122.1°	90.0°
C2D	CMD	HMD2	107.8°	90.0°
C2D	CMD	HMD3	107.8°	90.0°
C4D	C3D	CAD	123.1°	90.0°
C3D	CAD	CBD	118.9°	90.0°
C3D	CAD	HAD1	108.8°	90.0°
C3D	CAD	HAD2	108.8°	90.0°
HMD1	CMD	HMD2	107.7°	90.0°
HMD1	CMD	HMD3	107.7°	90.0°
HMD2	CMD	HMD3	102.0°	90.0°
CBD	CAD	HAD1	108.8°	90.0°
CBD	CAD	HAD2	108.8°	90.0°
CAD	CBD	CGD	114.6°	90.0°
CAD	CBD	HBD1	110.3°	90.0°
CAD	CBD	HBD2	110.3°	90.0°
HAD1	CAD	HAD2	101.2°	90.0°
CGD	CBD	HBD1	110.3°	90.0°
CGD	CBD	HBD2	110.3°	90.0°
CBD	CGD	O1D	114.3°	90.0°
CBD	CGD	O2D	118.6°	90.0°
HBD1	CBD	HBD2	99.9°	90.0°
O1D	CGD	O2D	127.2°	90.0°
CGD	O2D	H2D	118.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NA	FE	NB	NC	178.6°	90.0°
NA	FE	NB	ND	80.2°	90.0°
NA	FE	NC	ND	94.1°	90.0°
FE	NA	C1A	CHA	3.5°	90.0°
FE	NA	C4A	CHB	1.3°	90.0°
FE	NA	C1A	C4A	178.4°	90.0°
FE	NA	C1A	C2A	176.9°	90.0°
FE	NA	C4A	C3A	176.7°	90.0°
NA	FE	NB	C1B	3.2°	90.0°
NA	FE	NB	C4B	175.9°	90.0°
NA	FE	NC	C1C	88.8°	90.0°
NA	FE	NC	C4C	90.0°	90.0°
NA	FE	ND	C1D	175.0°	90.0°
NA	FE	ND	C4D	5.3°	90.0°
NB	FE	NC	ND	177.4°	90.0°
FE	NB	C1B	CHB	1.7°	90.0°
FE	NB	C4B	CHC	1.6°	90.0°
NB	FE	NA	C1A	176.3°	90.0°
NB	FE	NA	C4A	1.9°	90.0°
FE	NB	C1B	C4B	179.3°	90.0°
FE	NB	C1B	C2B	180.0°	90.0°
FE	NB	C4B	C3B	179.9°	90.0°
NB	FE	NC	C1C	5.4°	90.0°
NB	FE	NC	C4C	173.4°	90.0°
NB	FE	ND	C1D	94.7°	90.0°
NB	FE	ND	C4D	85.6°	90.0°
FE	NC	C1C	CHC	1.4°	90.0°
FE	NC	C4C	CHD	2.5°	90.0°
NC	FE	NA	C1A	100.4°	90.0°
NC	FE	NA	C4A	81.5°	90.0°
NC	FE	NB	C1B	175.4°	90.0°
NC	FE	NB	C4B	5.5°	90.0°
FE	NC	C1C	C4C	179.0°	90.0°
FE	NC	C1C	C2C	177.8°	90.0°
FE	NC	C4C	C3C	179.1°	90.0°
NC	FE	ND	C1D	3.6°	90.0°
NC	FE	ND	C4D	176.1°	90.0°
FE	ND	C4D	CHA	1.5°	90.0°
FE	ND	C1D	CHD	1.5°	90.0°
ND	FE	NA	C1A	6.3°	90.0°
ND	FE	NA	C4A	175.6°	90.0°
ND	FE	NB	C1B	77.0°	90.0°
ND	FE	NB	C4B	103.8°	90.0°
ND	FE	NC	C1C	177.2°	90.0°
ND	FE	NC	C4C	4.1°	90.0°
FE	ND	C1D	C4D	179.7°	90.0°
FE	ND	C1D	C2D	179.2°	90.0°
FE	ND	C4D	C3D	178.7°	90.0°
C1A	CHA	C4D	HHA	179.9°	90.0°
CHA	C1A	NA	C2A	179.6°	90.0°
CHA	C1A	NA	C4A	178.1°	90.0°
CHA	C1A	C2A	C3A	178.9°	90.0°
CHA	C1A	C2A	CAA	0.3°	90.0°
C1A	CHA	C4D	ND	4.0°	90.0°
C1A	CHA	C4D	C3D	172.7°	90.0°
C4D	CHA	C1A	NA	3.0°	90.0°
C4D	CHA	C1A	C2A	176.5°	90.0°
CHA	C4D	ND	C1D	178.8°	90.0°
CHA	C4D	ND	C3D	177.2°	90.0°
CHA	C4D	C3D	C2D	178.7°	90.0°
CHA	C4D	C3D	CAD	1.6°	90.0°
HHA	CHA	C1A	NA	177.0°	90.0°
HHA	CHA	C1A	C2A	3.5°	90.0°
HHA	CHA	C4D	ND	176.0°	90.0°
HHA	CHA	C4D	C3D	7.3°	90.0°
C4A	CHB	C1B	HHB	180.0°	90.0°
CHB	C4A	NA	C1A	179.7°	90.0°
CHB	C4A	NA	C3A	177.9°	90.0°
CHB	C4A	C3A	C2A	179.4°	90.0°
CHB	C4A	C3A	CMA	1.4°	90.0°
C4A	CHB	C1B	NB	2.7°	90.0°
C4A	CHB	C1B	C2B	175.4°	90.0°
C1B	CHB	C4A	NA	4.2°	90.0°
C1B	CHB	C4A	C3A	173.4°	90.0°
CHB	C1B	NB	C2B	178.3°	90.0°
CHB	C1B	NB	C4B	177.6°	90.0°
CHB	C1B	C2B	C3B	177.8°	90.0°
CHB	C1B	C2B	CMB	1.7°	90.0°
HHB	CHB	C4A	NA	175.8°	90.0°
HHB	CHB	C4A	C3A	6.6°	90.0°
HHB	CHB	C1B	NB	177.3°	90.0°
HHB	CHB	C1B	C2B	4.6°	90.0°
C4B	CHC	C1C	HHC	179.9°	90.0°
CHC	C4B	NB	C1B	179.1°	90.0°
CHC	C4B	NB	C3B	178.5°	90.0°
CHC	C4B	C3B	C2B	178.8°	90.0°
CHC	C4B	C3B	CAB	0.8°	90.0°
C4B	CHC	C1C	NC	4.9°	90.0°
C4B	CHC	C1C	C2C	171.0°	90.0°
C1C	CHC	C4B	NB	4.8°	90.0°
C1C	CHC	C4B	C3B	173.4°	90.0°
CHC	C1C	NC	C2C	176.3°	90.0°
CHC	C1C	NC	C4C	177.5°	90.0°
CHC	C1C	C2C	C3C	178.6°	90.0°
CHC	C1C	C2C	CMC	2.4°	90.0°
HHC	CHC	C4B	NB	175.2°	90.0°
HHC	CHC	C4B	C3B	6.5°	90.0°
HHC	CHC	C1C	NC	175.1°	90.0°
HHC	CHC	C1C	C2C	9.0°	90.0°
C4C	CHD	C1D	HHD	179.9°	90.0°
CHD	C4C	NC	C1C	178.6°	90.0°
CHD	C4C	NC	C3C	178.4°	90.0°
CHD	C4C	C3C	C2C	179.9°	90.0°
CHD	C4C	C3C	CAC	4.1°	90.0°
C4C	CHD	C1D	ND	1.8°	90.0°
C4C	CHD	C1D	C2D	177.4°	90.0°
C1D	CHD	C4C	NC	1.3°	90.0°
C1D	CHD	C4C	C3C	176.8°	90.0°
CHD	C1D	ND	C2D	179.3°	90.0°
CHD	C1D	ND	C4D	178.2°	90.0°
CHD	C1D	C2D	C3D	179.1°	90.0°
CHD	C1D	C2D	CMD	0.7°	90.0°
HHD	CHD	C4C	NC	178.6°	90.0°
HHD	CHD	C4C	C3C	3.3°	90.0°
HHD	CHD	C1D	ND	178.1°	90.0°
HHD	CHD	C1D	C2D	2.7°	90.0°
NA	C1A	C2A	C3A	0.6°	90.0°
NA	C1A	C2A	CAA	179.8°	90.0°
C1A	NA	C4A	C3A	1.8°	90.0°
C4A	NA	C1A	C2A	1.5°	90.0°
NA	C4A	C3A	C2A	1.5°	90.0°
NA	C4A	C3A	CMA	179.3°	90.0°
C1A	C2A	C3A	CAA	179.1°	90.0°
C1A	C2A	C3A	C4A	0.5°	90.0°
C1A	C2A	C3A	CMA	179.6°	90.0°
C1A	C2A	CAA	CBA	85.2°	90.0°
C1A	C2A	CAA	HAA1	40.1°	90.0°
C1A	C2A	CAA	HAA2	149.6°	90.0°
C2A	C3A	C4A	CMA	179.2°	90.0°
C2A	C3A	CMA	HMA1	180.0°	90.0°
C2A	C3A	CMA	HMA2	54.7°	90.0°
C2A	C3A	CMA	HMA3	54.7°	90.0°
C3A	C2A	CAA	CBA	93.9°	90.0°
C3A	C2A	CAA	HAA1	140.9°	90.0°
C3A	C2A	CAA	HAA2	31.4°	90.0°
CAA	C2A	C3A	C4A	178.7°	90.0°
CAA	C2A	C3A	CMA	0.5°	90.0°
C2A	CAA	CBA	HAA1	125.2°	90.0°
C2A	CAA	CBA	HAA2	125.3°	90.0°
C2A	CAA	HAA1	HAA2	116.8°	90.0°
C2A	CAA	CBA	CGA	163.9°	90.0°
C2A	CAA	CBA	HBA1	70.8°	90.0°
C2A	CAA	CBA	HBA2	38.6°	90.0°
C4A	C3A	CMA	HMA1	0.9°	90.0°
C4A	C3A	CMA	HMA2	124.3°	90.0°
C4A	C3A	CMA	HMA3	126.3°	90.0°
C3A	CMA	HMA1	HMA2	125.2°	90.0°
C3A	CMA	HMA1	HMA3	125.3°	90.0°
C3A	CMA	HMA2	HMA3	110.6°	90.0°
HMA1	CMA	HMA2	HMA3	110.7°	90.0°
CBA	CAA	HAA1	HAA2	116.7°	90.0°
CAA	CBA	CGA	HBA1	125.3°	90.0°
CAA	CBA	CGA	HBA2	125.3°	90.0°
CAA	CBA	HBA1	HBA2	116.6°	90.0°
CAA	CBA	CGA	O1A	169.2°	90.0°
CAA	CBA	CGA	O2A	11.3°	90.0°
HAA1	CAA	CBA	CGA	38.7°	90.0°
HAA1	CAA	CBA	HBA1	163.9°	90.0°
HAA1	CAA	CBA	HBA2	86.6°	90.0°
HAA2	CAA	CBA	CGA	70.8°	90.0°
HAA2	CAA	CBA	HBA1	54.5°	90.0°
HAA2	CAA	CBA	HBA2	163.9°	90.0°
CGA	CBA	HBA1	HBA2	116.6°	90.0°
CBA	CGA	O1A	O2A	179.4°	90.0°
CBA	CGA	O2A	H2A	179.9°	90.0°
HBA1	CBA	CGA	O1A	43.9°	90.0°
HBA1	CBA	CGA	O2A	136.6°	90.0°
HBA2	CBA	CGA	O1A	65.5°	90.0°
HBA2	CBA	CGA	O2A	113.9°	90.0°
O1A	CGA	O2A	H2A	0.6°	90.0°
NB	C1B	C2B	C3B	0.6°	90.0°
NB	C1B	C2B	CMB	179.9°	90.0°
C1B	NB	C4B	C3B	0.6°	90.0°
C4B	NB	C1B	C2B	0.7°	90.0°
NB	C4B	C3B	C2B	0.2°	90.0°
NB	C4B	C3B	CAB	179.4°	90.0°
C1B	C2B	C3B	CMB	179.5°	90.0°
C1B	C2B	C3B	C4B	0.2°	90.0°
C1B	C2B	C3B	CAB	179.8°	90.0°
C1B	C2B	CMB	HMB1	179.9°	90.0°
C1B	C2B	CMB	HMB2	54.8°	90.0°
C1B	C2B	CMB	HMB3	54.7°	90.0°
C2B	C3B	C4B	CAB	179.6°	90.0°
C3B	C2B	CMB	HMB1	0.7°	90.0°
C3B	C2B	CMB	HMB2	125.9°	90.0°
C3B	C2B	CMB	HMB3	124.6°	90.0°
C2B	C3B	CAB	CBB	69.3°	90.0°
C2B	C3B	CAB	HAB	110.7°	90.0°
CMB	C2B	C3B	C4B	179.7°	90.0°
CMB	C2B	C3B	CAB	0.7°	90.0°
C2B	CMB	HMB1	HMB2	125.2°	90.0°
C2B	CMB	HMB1	HMB3	125.3°	90.0°
C2B	CMB	HMB2	HMB3	112.6°	90.0°
C4B	C3B	CAB	CBB	111.2°	90.0°
C4B	C3B	CAB	HAB	68.8°	90.0°
C3B	CAB	CBB	HAB	180.0°	90.0°
C3B	CAB	CBB	HBB1	180.0°	90.0°
C3B	CAB	CBB	HBB2	54.7°	90.0°
C3B	CAB	CBB	HBB3	54.7°	90.0°
HMB1	CMB	HMB2	HMB3	112.7°	90.0°
CAB	CBB	HBB1	HBB2	125.3°	90.0°
CAB	CBB	HBB1	HBB3	125.2°	90.0°
CAB	CBB	HBB2	HBB3	117.9°	90.0°
HAB	CAB	CBB	HBB1	0.0°	90.0°
HAB	CAB	CBB	HBB2	125.3°	90.0°
HAB	CAB	CBB	HBB3	125.3°	90.0°
HBB1	CBB	HBB2	HBB3	118.0°	90.0°
NC	C1C	C2C	C3C	2.2°	90.0°
NC	C1C	C2C	CMC	178.8°	90.0°
C1C	NC	C4C	C3C	0.2°	90.0°
C4C	NC	C1C	C2C	1.2°	90.0°
NC	C4C	C3C	C2C	1.6°	90.0°
NC	C4C	C3C	CAC	177.6°	90.0°
C1C	C2C	C3C	CMC	178.9°	90.0°
C1C	C2C	C3C	C4C	2.2°	90.0°
C1C	C2C	C3C	CAC	178.2°	90.0°
C1C	C2C	CMC	HMC1	180.0°	90.0°
C1C	C2C	CMC	HMC2	54.7°	90.0°
C1C	C2C	CMC	HMC3	54.7°	90.0°
C2C	C3C	C4C	CAC	176.0°	90.0°
C3C	C2C	CMC	HMC1	1.3°	90.0°
C3C	C2C	CMC	HMC2	126.5°	90.0°
C3C	C2C	CMC	HMC3	124.0°	90.0°
C2C	C3C	CAC	CBC	79.3°	90.0°
C2C	C3C	CAC	HAC	100.7°	90.0°
CMC	C2C	C3C	C4C	178.9°	90.0°
CMC	C2C	C3C	CAC	2.9°	90.0°
C2C	CMC	HMC1	HMC2	125.2°	90.0°
C2C	CMC	HMC1	HMC3	125.3°	90.0°
C2C	CMC	HMC2	HMC3	112.3°	90.0°
C4C	C3C	CAC	CBC	105.3°	90.0°
C4C	C3C	CAC	HAC	74.7°	90.0°
C3C	CAC	CBC	HAC	180.0°	90.0°
C3C	CAC	CBC	HBC1	180.0°	90.0°
C3C	CAC	CBC	HBC2	54.7°	90.0°
C3C	CAC	CBC	HBC3	54.8°	90.0°
HMC1	CMC	HMC2	HMC3	112.3°	90.0°
CAC	CBC	HBC1	HBC2	125.2°	90.0°
CAC	CBC	HBC1	HBC3	125.2°	90.0°
CAC	CBC	HBC2	HBC3	116.5°	90.0°
HAC	CAC	CBC	HBC1	0.0°	90.0°
HAC	CAC	CBC	HBC2	125.3°	90.0°
HAC	CAC	CBC	HBC3	125.2°	90.0°
HBC1	CBC	HBC2	HBC3	116.5°	90.0°
ND	C1D	C2D	C3D	0.2°	90.0°
ND	C1D	C2D	CMD	180.0°	90.0°
C1D	ND	C4D	C3D	1.6°	90.0°
C4D	ND	C1D	C2D	1.1°	90.0°
ND	C4D	C3D	C2D	1.5°	90.0°
ND	C4D	C3D	CAD	178.8°	90.0°
C1D	C2D	C3D	CMD	179.7°	90.0°
C1D	C2D	C3D	C4D	0.7°	90.0°
C1D	C2D	C3D	CAD	179.5°	90.0°
C1D	C2D	CMD	HMD1	180.0°	90.0°
C1D	C2D	CMD	HMD2	54.7°	90.0°
C1D	C2D	CMD	HMD3	54.7°	90.0°
C2D	C3D	C4D	CAD	179.8°	90.0°
C3D	C2D	CMD	HMD1	0.3°	90.0°
C3D	C2D	CMD	HMD2	125.6°	90.0°
C3D	C2D	CMD	HMD3	125.0°	90.0°
C2D	C3D	CAD	CBD	122.7°	90.0°
C2D	C3D	CAD	HAD1	112.0°	90.0°
C2D	C3D	CAD	HAD2	2.5°	90.0°
CMD	C2D	C3D	C4D	179.0°	90.0°
CMD	C2D	C3D	CAD	0.8°	90.0°
C2D	CMD	HMD1	HMD2	125.3°	90.0°
C2D	CMD	HMD1	HMD3	125.4°	90.0°
C2D	CMD	HMD2	HMD3	113.3°	90.0°
C4D	C3D	CAD	CBD	57.0°	90.0°
C4D	C3D	CAD	HAD1	68.3°	90.0°
C4D	C3D	CAD	HAD2	177.7°	90.0°
C3D	CAD	CBD	HAD1	125.3°	90.0°
C3D	CAD	CBD	HAD2	125.3°	90.0°
C3D	CAD	HAD1	HAD2	114.5°	90.0°
C3D	CAD	CBD	CGD	85.8°	90.0°
C3D	CAD	CBD	HBD1	39.4°	90.0°
C3D	CAD	CBD	HBD2	148.9°	90.0°
HMD1	CMD	HMD2	HMD3	113.2°	90.0°
CBD	CAD	HAD1	HAD2	114.5°	90.0°
CAD	CBD	CGD	HBD1	125.3°	90.0°
CAD	CBD	CGD	HBD2	125.2°	90.0°
CAD	CBD	HBD1	HBD2	116.1°	90.0°
CAD	CBD	CGD	O1D	40.1°	90.0°
CAD	CBD	CGD	O2D	140.2°	90.0°
HAD1	CAD	CBD	CGD	148.9°	90.0°
HAD1	CAD	CBD	HBD1	85.9°	90.0°
HAD1	CAD	CBD	HBD2	23.6°	90.0°
HAD2	CAD	CBD	CGD	39.4°	90.0°
HAD2	CAD	CBD	HBD1	164.7°	90.0°
HAD2	CAD	CBD	HBD2	85.8°	90.0°
CGD	CBD	HBD1	HBD2	116.2°	90.0°
CBD	CGD	O1D	O2D	179.6°	90.0°
CBD	CGD	O2D	H2D	179.9°	90.0°
HBD1	CBD	CGD	O1D	85.1°	90.0°
HBD1	CBD	CGD	O2D	94.5°	90.0°
HBD2	CBD	CGD	O1D	165.4°	90.0°
HBD2	CBD	CGD	O2D	15.0°	90.0°
O1D	CGD	O2D	H2D	0.5°	90.0°

Definition date:	1999-07-08
Last modified:	2025-07-31
Release status:	REL
Processing site:	RCSB
Derived from:	1DY7