DHE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE	NA	sing	0.00Å	2.08Å
FE	NB	sing	0.00Å	2.07Å
FE	NC	sing	0.00Å	2.07Å
FE	ND	sing	0.00Å	2.09Å
CHA	C1A	doub	0.00Å	1.39Å
CHA	C4D	sing	0.00Å	1.37Å
CHA	HHA	sing	0.00Å	1.08Å
CHB	C4A	doub	0.00Å	1.39Å
CHB	C1B	sing	0.00Å	1.37Å
CHB	HHB	sing	0.00Å	1.08Å
CHC	C4B	doub	0.00Å	1.38Å
CHC	C1C	sing	0.00Å	1.37Å
CHC	HHC	sing	0.00Å	1.08Å
CHD	C4C	doub	0.00Å	1.39Å
CHD	C1D	sing	0.00Å	1.40Å
CHD	HHD	sing	0.00Å	1.08Å
NA	C1A	sing	0.00Å	1.39Å
NA	C4A	sing	0.00Å	1.38Å
C1A	C2A	sing	0.00Å	1.42Å
C2A	C3A	doub	0.00Å	1.38Å
C2A	CAA	sing	0.00Å	1.50Å
C3A	C4A	sing	0.00Å	1.43Å
C3A	CMA	sing	0.00Å	1.50Å
CMA	HMA1	sing	0.00Å	1.10Å
CMA	HMA2	sing	0.00Å	1.10Å
CMA	HMA3	sing	0.00Å	1.10Å
CAA	CBA	sing	0.00Å	1.46Å
CAA	HAA1	sing	0.00Å	1.10Å
CAA	HAA2	sing	0.00Å	1.10Å
CBA	CGA	sing	0.00Å	1.46Å
CBA	HBA1	sing	0.00Å	1.10Å
CBA	HBA2	sing	0.00Å	1.10Å
CGA	O1A	doub	0.00Å	1.24Å
CGA	O2A	sing	0.00Å	1.23Å
O2A	H2A	sing	0.00Å	0.95Å
NB	C1B	doub	0.00Å	1.37Å
NB	C4B	sing	0.00Å	1.35Å
C1B	C2B	sing	0.00Å	1.49Å
C2B	OMB	doub	0.00Å	1.21Å
C2B	C3B	sing	0.00Å	1.53Å
C3B	CGB	sing	0.00Å	1.61Å
C3B	CAB	sing	0.00Å	1.49Å
C3B	C4B	sing	0.00Å	1.52Å
CGB	HGB1	sing	0.00Å	1.10Å
CGB	HGB2	sing	0.00Å	1.10Å
CGB	HGB3	sing	0.00Å	1.10Å
CAB	CBB	sing	0.00Å	1.47Å
CAB	HAB1	sing	0.00Å	1.10Å
CAB	HAB2	sing	0.00Å	1.10Å
CBB	O1B	doub	0.00Å	1.25Å
CBB	O2B	sing	0.00Å	1.25Å
O2B	H2B	sing	0.00Å	0.95Å
NC	C1C	doub	0.00Å	1.37Å
NC	C4C	sing	0.00Å	1.37Å
C1C	C2C	sing	0.00Å	1.48Å
C2C	OMC	doub	0.00Å	1.21Å
C2C	C3C	sing	0.00Å	1.51Å
C3C	CGC	sing	0.00Å	1.61Å
C3C	CAC	sing	0.00Å	1.48Å
C3C	C4C	sing	0.00Å	1.53Å
CGC	HGC1	sing	0.00Å	1.10Å
CGC	HGC2	sing	0.00Å	1.10Å
CGC	HGC3	sing	0.00Å	1.10Å
CAC	CBC	sing	0.00Å	1.48Å
CAC	HAC1	sing	0.00Å	1.10Å
CAC	HAC2	sing	0.00Å	1.10Å
CBC	O1C	doub	0.00Å	1.25Å
CBC	O2C	sing	0.00Å	1.24Å
O2C	H2C	sing	0.00Å	0.95Å
ND	C1D	sing	0.00Å	1.38Å	Aromatic
ND	C4D	sing	0.00Å	1.39Å	Aromatic
C1D	C2D	doub	0.00Å	1.44Å	Aromatic
C2D	C3D	sing	0.00Å	1.37Å	Aromatic
C2D	CMD	sing	0.00Å	1.50Å
C3D	C4D	doub	0.00Å	1.42Å	Aromatic
C3D	CAD	sing	0.00Å	1.47Å
CMD	HMD1	sing	0.00Å	1.10Å
CMD	HMD2	sing	0.00Å	1.10Å
CMD	HMD3	sing	0.00Å	1.10Å
CAD	CBD	sing	0.00Å	1.28Å
CAD	HAD1	sing	0.00Å	1.10Å
CAD	HAD2	sing	0.00Å	1.10Å
CBD	CGD	sing	0.00Å	1.46Å
CBD	HBD1	sing	0.00Å	1.10Å
CBD	HBD2	sing	0.00Å	1.10Å
CGD	O1D	doub	0.00Å	1.24Å
CGD	O2D	sing	0.00Å	1.25Å
O2D	H2D	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NA	FE	NB	90.4°	90.0°
NA	FE	NC	179.2°	90.0°
NA	FE	ND	89.6°	90.0°
FE	NA	C1A	125.8°	90.0°
FE	NA	C4A	124.9°	90.0°
NB	FE	NC	90.4°	90.0°
NB	FE	ND	178.4°	90.0°
FE	NB	C1B	123.5°	90.0°
FE	NB	C4B	125.5°	90.0°
NC	FE	ND	89.6°	90.0°
FE	NC	C1C	122.9°	90.0°
FE	NC	C4C	126.6°	90.0°
FE	ND	C1D	125.4°	90.0°
FE	ND	C4D	125.9°	90.0°
C1A	CHA	C4D	128.8°	90.0°
C1A	CHA	HHA	115.6°	90.0°
CHA	C1A	NA	124.7°	90.0°
CHA	C1A	C2A	127.3°	90.0°
C4D	CHA	HHA	115.6°	90.0°
CHA	C4D	ND	124.5°	90.0°
CHA	C4D	C3D	127.4°	90.0°
C4A	CHB	C1B	126.7°	90.0°
C4A	CHB	HHB	116.7°	90.0°
CHB	C4A	NA	124.6°	90.0°
CHB	C4A	C3A	127.5°	90.0°
C1B	CHB	HHB	116.7°	90.0°
CHB	C1B	NB	127.2°	90.0°
CHB	C1B	C2B	123.5°	90.0°
C4B	CHC	C1C	129.5°	90.0°
C4B	CHC	HHC	115.3°	90.0°
CHC	C4B	NB	122.9°	90.0°
CHC	C4B	C3B	125.1°	90.0°
C1C	CHC	HHC	115.3°	90.0°
CHC	C1C	NC	126.7°	90.0°
CHC	C1C	C2C	123.6°	90.0°
C4C	CHD	C1D	127.6°	90.0°
C4C	CHD	HHD	116.2°	90.0°
CHD	C4C	NC	124.4°	90.0°
CHD	C4C	C3C	124.1°	90.0°
C1D	CHD	HHD	116.2°	90.0°
CHD	C1D	ND	124.8°	90.0°
CHD	C1D	C2D	127.4°	90.0°
C1A	NA	C4A	108.5°	90.0°
NA	C1A	C2A	108.0°	90.0°
NA	C4A	C3A	107.9°	90.0°
C1A	C2A	C3A	107.7°	90.0°
C1A	C2A	CAA	124.4°	90.0°
C3A	C2A	CAA	127.9°	90.0°
C2A	C3A	C4A	107.7°	90.0°
C2A	C3A	CMA	128.6°	90.0°
C2A	CAA	CBA	111.6°	90.0°
C2A	CAA	HAA1	108.9°	90.0°
C2A	CAA	HAA2	109.0°	90.0°
C4A	C3A	CMA	123.7°	90.0°
C3A	CMA	HMA1	109.5°	90.0°
C3A	CMA	HMA2	109.5°	90.0°
C3A	CMA	HMA3	109.5°	90.0°
HMA1	CMA	HMA2	109.5°	90.0°
HMA1	CMA	HMA3	109.5°	90.0°
HMA2	CMA	HMA3	109.5°	90.0°
CBA	CAA	HAA1	109.0°	90.0°
CBA	CAA	HAA2	108.9°	90.0°
CAA	CBA	CGA	118.7°	90.0°
CAA	CBA	HBA1	107.1°	90.0°
CAA	CBA	HBA2	107.1°	90.0°
HAA1	CAA	HAA2	109.5°	90.0°
CGA	CBA	HBA1	107.1°	90.0°
CGA	CBA	HBA2	107.1°	90.0°
CBA	CGA	O1A	119.7°	90.0°
CBA	CGA	O2A	117.8°	90.0°
HBA1	CBA	HBA2	109.5°	90.0°
O1A	CGA	O2A	122.5°	90.0°
CGA	O2A	H2A	109.5°	90.0°
C1B	NB	C4B	110.4°	90.0°
NB	C1B	C2B	109.3°	90.0°
NB	C4B	C3B	112.0°	90.0°
C1B	C2B	OMB	127.5°	90.0°
C1B	C2B	C3B	106.4°	90.0°
OMB	C2B	C3B	126.1°	90.0°
C2B	C3B	CGB	106.6°	90.0°
C2B	C3B	CAB	114.2°	90.0°
C2B	C3B	C4B	100.0°	90.0°
CGB	C3B	CAB	109.7°	90.0°
CGB	C3B	C4B	109.2°	90.0°
C3B	CGB	HGB1	109.5°	90.0°
C3B	CGB	HGB2	109.4°	90.0°
C3B	CGB	HGB3	109.5°	90.0°
CAB	C3B	C4B	116.3°	90.0°
C3B	CAB	CBB	116.3°	90.0°
C3B	CAB	HAB1	107.7°	90.0°
C3B	CAB	HAB2	107.7°	90.0°
HGB1	CGB	HGB2	109.4°	90.0°
HGB1	CGB	HGB3	109.4°	90.0°
HGB2	CGB	HGB3	109.5°	90.0°
CBB	CAB	HAB1	107.7°	90.0°
CBB	CAB	HAB2	107.7°	90.0°
CAB	CBB	O1B	118.5°	90.0°
CAB	CBB	O2B	119.4°	90.0°
HAB1	CAB	HAB2	109.5°	90.0°
O1B	CBB	O2B	122.1°	90.0°
CBB	O2B	H2B	109.5°	90.0°
C1C	NC	C4C	110.4°	90.0°
NC	C1C	C2C	109.7°	90.0°
NC	C4C	C3C	111.5°	90.0°
C1C	C2C	OMC	127.1°	90.0°
C1C	C2C	C3C	107.3°	90.0°
OMC	C2C	C3C	125.6°	90.0°
C2C	C3C	CGC	106.2°	90.0°
C2C	C3C	CAC	112.8°	90.0°
C2C	C3C	C4C	101.0°	90.0°
CGC	C3C	CAC	110.3°	90.0°
CGC	C3C	C4C	109.7°	90.0°
C3C	CGC	HGC1	109.5°	90.0°
C3C	CGC	HGC2	109.5°	90.0°
C3C	CGC	HGC3	109.5°	90.0°
CAC	C3C	C4C	116.1°	90.0°
C3C	CAC	CBC	115.6°	90.0°
C3C	CAC	HAC1	107.9°	90.0°
C3C	CAC	HAC2	107.9°	90.0°
HGC1	CGC	HGC2	109.5°	90.0°
HGC1	CGC	HGC3	109.5°	90.0°
HGC2	CGC	HGC3	109.5°	90.0°
CBC	CAC	HAC1	107.9°	90.0°
CBC	CAC	HAC2	107.9°	90.0°
CAC	CBC	O1C	118.8°	90.0°
CAC	CBC	O2C	119.2°	90.0°
HAC1	CAC	HAC2	109.5°	90.0°
O1C	CBC	O2C	122.1°	90.0°
CBC	O2C	H2C	109.5°	90.0°
C1D	ND	C4D	108.6°	90.0°
ND	C1D	C2D	107.7°	90.0°
ND	C4D	C3D	108.1°	90.0°
C1D	C2D	C3D	107.5°	90.0°
C1D	C2D	CMD	123.5°	90.0°
C3D	C2D	CMD	129.0°	90.0°
C2D	C3D	C4D	107.8°	90.0°
C2D	C3D	CAD	128.5°	90.0°
C2D	CMD	HMD1	109.5°	90.0°
C2D	CMD	HMD2	109.4°	90.0°
C2D	CMD	HMD3	109.5°	90.0°
C4D	C3D	CAD	123.7°	90.0°
C3D	CAD	CBD	126.4°	90.0°
C3D	CAD	HAD1	105.1°	90.0°
C3D	CAD	HAD2	105.1°	90.0°
HMD1	CMD	HMD2	109.5°	90.0°
HMD1	CMD	HMD3	109.5°	90.0°
HMD2	CMD	HMD3	109.5°	90.0°
CBD	CAD	HAD1	105.1°	90.0°
CBD	CAD	HAD2	105.1°	90.0°
CAD	CBD	CGD	125.2°	90.0°
CAD	CBD	HBD1	105.4°	90.0°
CAD	CBD	HBD2	105.4°	90.0°
HAD1	CAD	HAD2	109.5°	90.0°
CGD	CBD	HBD1	105.4°	90.0°
CGD	CBD	HBD2	105.4°	90.0°
CBD	CGD	O1D	118.5°	90.0°
CBD	CGD	O2D	118.5°	90.0°
HBD1	CBD	HBD2	109.5°	90.0°
O1D	CGD	O2D	123.0°	90.0°
CGD	O2D	H2D	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NA	FE	NB	NC	179.9°	90.0°
NA	FE	NB	ND	90.0°	90.0°
NA	FE	NC	ND	2.3°	90.0°
FE	NA	C1A	CHA	4.8°	90.0°
FE	NA	C4A	CHB	6.3°	90.0°
FE	NA	C1A	C4A	169.9°	90.0°
FE	NA	C1A	C2A	174.3°	90.0°
FE	NA	C4A	C3A	174.0°	90.0°
NA	FE	NB	C1B	5.9°	90.0°
NA	FE	NB	C4B	164.1°	90.0°
NA	FE	NC	C1C	174.8°	90.0°
NA	FE	NC	C4C	1.6°	90.0°
NA	FE	ND	C1D	175.3°	90.0°
NA	FE	ND	C4D	6.8°	90.0°
NB	FE	NC	ND	178.4°	90.0°
FE	NB	C1B	CHB	7.4°	90.0°
FE	NB	C4B	CHC	17.0°	90.0°
NB	FE	NA	C1A	179.6°	90.0°
NB	FE	NA	C4A	12.1°	90.0°
FE	NB	C1B	C4B	171.3°	90.0°
FE	NB	C1B	C2B	172.1°	90.0°
FE	NB	C4B	C3B	162.6°	90.0°
NB	FE	NC	C1C	9.1°	90.0°
NB	FE	NC	C4C	174.5°	90.0°
NB	FE	ND	C1D	85.3°	90.0°
NB	FE	ND	C4D	96.9°	90.0°
FE	NC	C1C	CHC	3.3°	90.0°
FE	NC	C4C	CHD	4.0°	90.0°
NC	FE	NA	C1A	4.3°	90.0°
NC	FE	NA	C4A	163.9°	90.0°
NC	FE	NB	C1B	174.1°	90.0°
NC	FE	NB	C4B	16.0°	90.0°
FE	NC	C1C	C4C	176.9°	90.0°
FE	NC	C1C	C2C	177.0°	90.0°
FE	NC	C4C	C3C	174.9°	90.0°
NC	FE	ND	C1D	4.7°	90.0°
NC	FE	ND	C4D	173.2°	90.0°
FE	ND	C4D	CHA	5.4°	90.0°
FE	ND	C1D	CHD	2.1°	90.0°
ND	FE	NA	C1A	2.0°	90.0°
ND	FE	NA	C4A	166.2°	90.0°
ND	FE	NB	C1B	84.2°	90.0°
ND	FE	NB	C4B	105.9°	90.0°
ND	FE	NC	C1C	172.5°	90.0°
ND	FE	NC	C4C	3.8°	90.0°
FE	ND	C1D	C4D	178.2°	90.0°
FE	ND	C1D	C2D	177.1°	90.0°
FE	ND	C4D	C3D	174.7°	90.0°
C1A	CHA	C4D	HHA	180.0°	90.0°
CHA	C1A	NA	C2A	179.1°	90.0°
CHA	C1A	NA	C4A	174.7°	90.0°
CHA	C1A	C2A	C3A	176.0°	90.0°
CHA	C1A	C2A	CAA	1.7°	90.0°
C1A	CHA	C4D	ND	3.9°	90.0°
C1A	CHA	C4D	C3D	176.0°	90.0°
C4D	CHA	C1A	NA	9.4°	90.0°
C4D	CHA	C1A	C2A	169.5°	90.0°
CHA	C4D	ND	C1D	176.5°	90.0°
CHA	C4D	ND	C3D	179.9°	90.0°
CHA	C4D	C3D	C2D	175.4°	90.0°
CHA	C4D	C3D	CAD	4.4°	90.0°
HHA	CHA	C1A	NA	170.6°	90.0°
HHA	CHA	C1A	C2A	10.5°	90.0°
HHA	CHA	C4D	ND	176.1°	90.0°
HHA	CHA	C4D	C3D	4.0°	90.0°
C4A	CHB	C1B	HHB	180.0°	90.0°
CHB	C4A	NA	C1A	176.3°	90.0°
CHB	C4A	NA	C3A	179.7°	90.0°
CHB	C4A	C3A	C2A	178.2°	90.0°
CHB	C4A	C3A	CMA	0.9°	90.0°
C4A	CHB	C1B	NB	19.3°	90.0°
C4A	CHB	C1B	C2B	160.1°	90.0°
C1B	CHB	C4A	NA	11.5°	90.0°
C1B	CHB	C4A	C3A	168.2°	90.0°
CHB	C1B	NB	C2B	179.5°	90.0°
CHB	C1B	NB	C4B	178.7°	90.0°
CHB	C1B	C2B	OMB	9.8°	90.0°
CHB	C1B	C2B	C3B	170.1°	90.0°
HHB	CHB	C4A	NA	168.6°	90.0°
HHB	CHB	C4A	C3A	11.8°	90.0°
HHB	CHB	C1B	NB	160.7°	90.0°
HHB	CHB	C1B	C2B	19.8°	90.0°
C4B	CHC	C1C	HHC	180.0°	90.0°
CHC	C4B	NB	C1B	171.9°	90.0°
CHC	C4B	NB	C3B	179.6°	90.0°
CHC	C4B	C3B	C2B	167.0°	90.0°
CHC	C4B	C3B	CGB	81.3°	90.0°
CHC	C4B	C3B	CAB	43.5°	90.0°
C4B	CHC	C1C	NC	0.8°	90.0°
C4B	CHC	C1C	C2C	178.8°	90.0°
C1C	CHC	C4B	NB	6.6°	90.0°
C1C	CHC	C4B	C3B	172.9°	90.0°
CHC	C1C	NC	C2C	179.7°	90.0°
CHC	C1C	NC	C4C	179.8°	90.0°
CHC	C1C	C2C	OMC	1.2°	90.0°
CHC	C1C	C2C	C3C	178.2°	90.0°
HHC	CHC	C4B	NB	173.4°	90.0°
HHC	CHC	C4B	C3B	7.0°	90.0°
HHC	CHC	C1C	NC	179.2°	90.0°
HHC	CHC	C1C	C2C	1.2°	90.0°
C4C	CHD	C1D	HHD	180.0°	90.0°
CHD	C4C	NC	C1C	179.3°	90.0°
CHD	C4C	NC	C3C	178.8°	90.0°
CHD	C4C	C3C	C2C	178.2°	90.0°
CHD	C4C	C3C	CGC	70.0°	90.0°
CHD	C4C	C3C	CAC	55.8°	90.0°
C4C	CHD	C1D	ND	13.2°	90.0°
C4C	CHD	C1D	C2D	165.8°	90.0°
C1D	CHD	C4C	NC	14.2°	90.0°
C1D	CHD	C4C	C3C	164.4°	90.0°
CHD	C1D	ND	C2D	179.2°	90.0°
CHD	C1D	ND	C4D	179.7°	90.0°
CHD	C1D	C2D	C3D	177.4°	90.0°
CHD	C1D	C2D	CMD	1.9°	90.0°
HHD	CHD	C4C	NC	165.8°	90.0°
HHD	CHD	C4C	C3C	15.6°	90.0°
HHD	CHD	C1D	ND	166.8°	90.0°
HHD	CHD	C1D	C2D	14.2°	90.0°
NA	C1A	C2A	C3A	3.1°	90.0°
NA	C1A	C2A	CAA	179.2°	90.0°
C1A	NA	C4A	C3A	4.0°	90.0°
C4A	NA	C1A	C2A	4.4°	90.0°
NA	C4A	C3A	C2A	2.1°	90.0°
NA	C4A	C3A	CMA	178.8°	90.0°
C1A	C2A	C3A	CAA	177.6°	90.0°
C1A	C2A	C3A	C4A	0.6°	90.0°
C1A	C2A	C3A	CMA	178.4°	90.0°
C1A	C2A	CAA	CBA	81.3°	90.0°
C1A	C2A	CAA	HAA1	39.1°	90.0°
C1A	C2A	CAA	HAA2	158.4°	90.0°
C2A	C3A	C4A	CMA	179.1°	90.0°
C2A	C3A	CMA	HMA1	180.0°	90.0°
C2A	C3A	CMA	HMA2	60.0°	90.0°
C2A	C3A	CMA	HMA3	60.0°	90.0°
C3A	C2A	CAA	CBA	96.0°	90.0°
C3A	C2A	CAA	HAA1	143.7°	90.0°
C3A	C2A	CAA	HAA2	24.3°	90.0°
CAA	C2A	C3A	C4A	178.2°	90.0°
CAA	C2A	C3A	CMA	0.8°	90.0°
C2A	CAA	CBA	HAA1	120.3°	90.0°
C2A	CAA	CBA	HAA2	120.3°	90.0°
C2A	CAA	HAA1	HAA2	119.0°	90.0°
C2A	CAA	CBA	CGA	175.6°	90.0°
C2A	CAA	CBA	HBA1	54.3°	90.0°
C2A	CAA	CBA	HBA2	63.1°	90.0°
C4A	C3A	CMA	HMA1	1.1°	90.0°
C4A	C3A	CMA	HMA2	119.0°	90.0°
C4A	C3A	CMA	HMA3	121.0°	90.0°
C3A	CMA	HMA1	HMA2	120.0°	90.0°
C3A	CMA	HMA1	HMA3	120.0°	90.0°
C3A	CMA	HMA2	HMA3	120.0°	90.0°
HMA1	CMA	HMA2	HMA3	120.0°	90.0°
CBA	CAA	HAA1	HAA2	119.0°	90.0°
CAA	CBA	CGA	HBA1	121.3°	90.0°
CAA	CBA	CGA	HBA2	121.3°	90.0°
CAA	CBA	HBA1	HBA2	115.8°	90.0°
CAA	CBA	CGA	O1A	5.1°	90.0°
CAA	CBA	CGA	O2A	175.1°	90.0°
HAA1	CAA	CBA	CGA	64.1°	90.0°
HAA1	CAA	CBA	HBA1	174.6°	90.0°
HAA1	CAA	CBA	HBA2	57.2°	90.0°
HAA2	CAA	CBA	CGA	55.3°	90.0°
HAA2	CAA	CBA	HBA1	66.0°	90.0°
HAA2	CAA	CBA	HBA2	176.6°	90.0°
CGA	CBA	HBA1	HBA2	115.8°	90.0°
CBA	CGA	O1A	O2A	179.8°	90.0°
CBA	CGA	O2A	H2A	179.7°	90.0°
HBA1	CBA	CGA	O1A	116.2°	90.0°
HBA1	CBA	CGA	O2A	63.6°	90.0°
HBA2	CBA	CGA	O1A	126.4°	90.0°
HBA2	CBA	CGA	O2A	53.8°	90.0°
O1A	CGA	O2A	H2A	0.0°	90.0°
NB	C1B	C2B	OMB	170.7°	90.0°
NB	C1B	C2B	C3B	9.5°	90.0°
C1B	NB	C4B	C3B	8.5°	90.0°
C4B	NB	C1B	C2B	0.8°	90.0°
NB	C4B	C3B	C2B	13.4°	90.0°
NB	C4B	C3B	CGB	98.3°	90.0°
NB	C4B	C3B	CAB	136.9°	90.0°
C1B	C2B	OMB	C3B	179.8°	90.0°
C1B	C2B	C3B	CGB	100.7°	90.0°
C1B	C2B	C3B	CAB	137.9°	90.0°
C1B	C2B	C3B	C4B	13.0°	90.0°
OMB	C2B	C3B	CGB	79.1°	90.0°
OMB	C2B	C3B	CAB	42.3°	90.0°
OMB	C2B	C3B	C4B	167.2°	90.0°
C2B	C3B	CGB	CAB	124.2°	90.0°
C2B	C3B	CGB	C4B	107.2°	90.0°
C2B	C3B	CAB	C4B	115.8°	90.0°
C2B	C3B	CGB	HGB1	180.0°	90.0°
C2B	C3B	CGB	HGB2	60.0°	90.0°
C2B	C3B	CGB	HGB3	60.0°	90.0°
C2B	C3B	CAB	CBB	54.4°	90.0°
C2B	C3B	CAB	HAB1	66.6°	90.0°
C2B	C3B	CAB	HAB2	175.4°	90.0°
CGB	C3B	CAB	C4B	124.6°	90.0°
C3B	CGB	HGB1	HGB2	120.0°	90.0°
C3B	CGB	HGB1	HGB3	120.0°	90.0°
C3B	CGB	HGB2	HGB3	120.0°	90.0°
CGB	C3B	CAB	CBB	174.1°	90.0°
CGB	C3B	CAB	HAB1	53.1°	90.0°
CGB	C3B	CAB	HAB2	64.9°	90.0°
CAB	C3B	CGB	HGB1	55.8°	90.0°
CAB	C3B	CGB	HGB2	64.2°	90.0°
CAB	C3B	CGB	HGB3	175.8°	90.0°
C3B	CAB	CBB	HAB1	121.0°	90.0°
C3B	CAB	CBB	HAB2	121.0°	90.0°
C3B	CAB	HAB1	HAB2	116.9°	90.0°
C3B	CAB	CBB	O1B	169.9°	90.0°
C3B	CAB	CBB	O2B	10.1°	90.0°
C4B	C3B	CGB	HGB1	72.8°	90.0°
C4B	C3B	CGB	HGB2	167.2°	90.0°
C4B	C3B	CGB	HGB3	47.2°	90.0°
C4B	C3B	CAB	CBB	61.4°	90.0°
C4B	C3B	CAB	HAB1	177.7°	90.0°
C4B	C3B	CAB	HAB2	59.6°	90.0°
HGB1	CGB	HGB2	HGB3	120.0°	90.0°
CBB	CAB	HAB1	HAB2	116.9°	90.0°
CAB	CBB	O1B	O2B	180.0°	90.0°
CAB	CBB	O2B	H2B	180.0°	90.0°
HAB1	CAB	CBB	O1B	48.9°	90.0°
HAB1	CAB	CBB	O2B	131.0°	90.0°
HAB2	CAB	CBB	O1B	69.1°	90.0°
HAB2	CAB	CBB	O2B	110.9°	90.0°
O1B	CBB	O2B	H2B	0.0°	90.0°
NC	C1C	C2C	OMC	178.5°	90.0°
NC	C1C	C2C	C3C	2.1°	90.0°
C1C	NC	C4C	C3C	1.9°	90.0°
C4C	NC	C1C	C2C	0.2°	90.0°
NC	C4C	C3C	C2C	3.0°	90.0°
NC	C4C	C3C	CGC	108.8°	90.0°
NC	C4C	C3C	CAC	125.3°	90.0°
C1C	C2C	OMC	C3C	179.2°	90.0°
C1C	C2C	C3C	CGC	111.5°	90.0°
C1C	C2C	C3C	CAC	127.6°	90.0°
C1C	C2C	C3C	C4C	2.9°	90.0°
OMC	C2C	C3C	CGC	67.8°	90.0°
OMC	C2C	C3C	CAC	53.1°	90.0°
OMC	C2C	C3C	C4C	177.7°	90.0°
C2C	C3C	CGC	CAC	122.5°	90.0°
C2C	C3C	CGC	C4C	108.4°	90.0°
C2C	C3C	CAC	C4C	115.9°	90.0°
C2C	C3C	CGC	HGC1	180.0°	90.0°
C2C	C3C	CGC	HGC2	60.0°	90.0°
C2C	C3C	CGC	HGC3	60.0°	90.0°
C2C	C3C	CAC	CBC	65.9°	90.0°
C2C	C3C	CAC	HAC1	55.0°	90.0°
C2C	C3C	CAC	HAC2	173.2°	90.0°
CGC	C3C	CAC	C4C	125.5°	90.0°
C3C	CGC	HGC1	HGC2	120.0°	90.0°
C3C	CGC	HGC1	HGC3	120.0°	90.0°
C3C	CGC	HGC2	HGC3	120.0°	90.0°
CGC	C3C	CAC	CBC	175.6°	90.0°
CGC	C3C	CAC	HAC1	63.6°	90.0°
CGC	C3C	CAC	HAC2	54.7°	90.0°
CAC	C3C	CGC	HGC1	57.6°	90.0°
CAC	C3C	CGC	HGC2	62.5°	90.0°
CAC	C3C	CGC	HGC3	177.5°	90.0°
C3C	CAC	CBC	HAC1	120.9°	90.0°
C3C	CAC	CBC	HAC2	120.9°	90.0°
C3C	CAC	HAC1	HAC2	117.2°	90.0°
C3C	CAC	CBC	O1C	131.0°	90.0°
C3C	CAC	CBC	O2C	49.6°	90.0°
C4C	C3C	CGC	HGC1	71.6°	90.0°
C4C	C3C	CGC	HGC2	168.4°	90.0°
C4C	C3C	CGC	HGC3	48.4°	90.0°
C4C	C3C	CAC	CBC	50.0°	90.0°
C4C	C3C	CAC	HAC1	170.9°	90.0°
C4C	C3C	CAC	HAC2	70.9°	90.0°
HGC1	CGC	HGC2	HGC3	120.0°	90.0°
CBC	CAC	HAC1	HAC2	117.2°	90.0°
CAC	CBC	O1C	O2C	179.3°	90.0°
CAC	CBC	O2C	H2C	179.4°	90.0°
HAC1	CAC	CBC	O1C	108.1°	90.0°
HAC1	CAC	CBC	O2C	71.3°	90.0°
HAC2	CAC	CBC	O1C	10.1°	90.0°
HAC2	CAC	CBC	O2C	170.5°	90.0°
O1C	CBC	O2C	H2C	0.0°	90.0°
ND	C1D	C2D	C3D	1.8°	90.0°
ND	C1D	C2D	CMD	179.0°	90.0°
C1D	ND	C4D	C3D	3.4°	90.0°
C4D	ND	C1D	C2D	1.1°	90.0°
ND	C4D	C3D	C2D	4.5°	90.0°
ND	C4D	C3D	CAD	175.7°	90.0°
C1D	C2D	C3D	CMD	179.2°	90.0°
C1D	C2D	C3D	C4D	3.8°	90.0°
C1D	C2D	C3D	CAD	176.4°	90.0°
C1D	C2D	CMD	HMD1	89.6°	90.0°
C1D	C2D	CMD	HMD2	150.4°	90.0°
C1D	C2D	CMD	HMD3	30.4°	90.0°
C2D	C3D	C4D	CAD	179.8°	90.0°
C3D	C2D	CMD	HMD1	89.5°	90.0°
C3D	C2D	CMD	HMD2	30.5°	90.0°
C3D	C2D	CMD	HMD3	150.5°	90.0°
C2D	C3D	CAD	CBD	43.9°	90.0°
C2D	C3D	CAD	HAD1	166.1°	90.0°
C2D	C3D	CAD	HAD2	78.4°	90.0°
CMD	C2D	C3D	C4D	176.9°	90.0°
CMD	C2D	C3D	CAD	2.8°	90.0°
C2D	CMD	HMD1	HMD2	120.0°	90.0°
C2D	CMD	HMD1	HMD3	120.0°	90.0°
C2D	CMD	HMD2	HMD3	120.0°	90.0°
C4D	C3D	CAD	CBD	136.4°	90.0°
C4D	C3D	CAD	HAD1	14.2°	90.0°
C4D	C3D	CAD	HAD2	101.3°	90.0°
C3D	CAD	CBD	HAD1	122.2°	90.0°
C3D	CAD	CBD	HAD2	122.3°	90.0°
C3D	CAD	HAD1	HAD2	112.4°	90.0°
C3D	CAD	CBD	CGD	178.3°	90.0°
C3D	CAD	CBD	HBD1	59.6°	90.0°
C3D	CAD	CBD	HBD2	56.2°	90.0°
HMD1	CMD	HMD2	HMD3	120.0°	90.0°
CBD	CAD	HAD1	HAD2	112.4°	90.0°
CAD	CBD	CGD	HBD1	122.2°	90.0°
CAD	CBD	CGD	HBD2	122.1°	90.0°
CAD	CBD	HBD1	HBD2	112.9°	90.0°
CAD	CBD	CGD	O1D	160.8°	90.0°
CAD	CBD	CGD	O2D	18.9°	90.0°
HAD1	CAD	CBD	CGD	56.0°	90.0°
HAD1	CAD	CBD	HBD1	178.2°	90.0°
HAD1	CAD	CBD	HBD2	66.1°	90.0°
HAD2	CAD	CBD	CGD	59.5°	90.0°
HAD2	CAD	CBD	HBD1	62.7°	90.0°
HAD2	CAD	CBD	HBD2	178.4°	90.0°
CGD	CBD	HBD1	HBD2	112.9°	90.0°
CBD	CGD	O1D	O2D	179.7°	90.0°
CBD	CGD	O2D	H2D	179.7°	90.0°
HBD1	CBD	CGD	O1D	38.7°	90.0°
HBD1	CBD	CGD	O2D	141.1°	90.0°
HBD2	CBD	CGD	O1D	77.1°	90.0°
HBD2	CBD	CGD	O2D	103.2°	90.0°
O1D	CGD	O2D	H2D	0.0°	90.0°

Definition date:	1999-07-08
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1AOF