CLN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE	NA	sing	0.00Å	2.07Å
FE	NB	sing	0.00Å	2.01Å
FE	NC	sing	0.00Å	2.10Å
FE	ND	sing	0.00Å	2.00Å
CHA	C1A	doub	0.00Å	1.39Å
CHA	C4D	sing	0.00Å	1.40Å
CHA	HHA	sing	0.00Å	1.08Å
CHB	C4A	sing	0.00Å	1.36Å
CHB	C1B	doub	0.00Å	1.37Å
CHB	HHB	sing	0.00Å	1.08Å
CHC	C4B	doub	0.00Å	1.37Å
CHC	C1C	sing	0.00Å	1.39Å
CHC	HHC	sing	0.00Å	1.08Å
CHD	C4C	doub	0.00Å	1.43Å
CHD	C1D	sing	0.00Å	1.40Å
CHD	HHD	sing	0.00Å	1.08Å
NA	C1A	sing	0.00Å	1.38Å
NA	C4A	doub	0.00Å	1.37Å
C1A	C2A	sing	0.00Å	1.49Å
C2A	C3A	doub	0.00Å	1.33Å
C2A	CAA	sing	0.00Å	1.53Å
C3A	C4A	sing	0.00Å	1.49Å
C3A	CMA	sing	0.00Å	1.49Å
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	1.60Å
CAA	HAA1	sing	0.00Å	1.10Å
CAA	HAA2	sing	0.00Å	1.10Å
CBA	CGA	sing	0.00Å	1.53Å
CBA	HBA1	sing	0.00Å	1.10Å
CBA	HBA2	sing	0.00Å	1.10Å
CGA	O1A	doub	0.00Å	1.28Å
CGA	O2A	sing	0.00Å	1.28Å
O2A	H2A	sing	0.00Å	0.95Å
NB	C1B	sing	0.00Å	1.38Å
NB	C4B	sing	0.00Å	1.40Å
C1B	C2B	sing	0.00Å	1.43Å
C2B	C3B	doub	0.00Å	1.33Å
C2B	CMB	sing	0.00Å	1.59Å
C3B	C4B	sing	0.00Å	1.44Å
C3B	CAB	sing	0.00Å	1.56Å
CMB	HMB1	sing	0.00Å	1.10Å
CMB	HMB2	sing	0.00Å	1.10Å
CMB	HMB3	sing	0.00Å	1.10Å
CAB	CBB	doub	0.00Å	1.40Å
CAB	HAB	sing	0.00Å	1.08Å
CBB	HBB1	sing	0.00Å	1.08Å
CBB	HBB2	sing	0.00Å	1.08Å
NC	C1C	doub	0.00Å	1.40Å
NC	C4C	sing	0.00Å	1.37Å
C1C	C2C	sing	0.00Å	1.51Å
C2C	C3C	sing	0.00Å	1.53Å
C2C	CMC	sing	0.00Å	1.51Å
C2C	S	sing	0.00Å	1.77Å
C3C	C4C	sing	0.00Å	1.46Å
C3C	CAC	sing	0.00Å	1.34Å
C3C	H3C	sing	0.00Å	1.10Å
CMC	HMC1	sing	0.00Å	1.10Å
CMC	HMC2	sing	0.00Å	1.10Å
CMC	HMC3	sing	0.00Å	1.10Å
CAC	CBC	doub	0.00Å	1.45Å
CAC	HAC	sing	0.00Å	1.08Å
CBC	S	sing	0.00Å	1.89Å
CBC	HBC	sing	0.00Å	1.08Å
ND	C1D	sing	0.00Å	1.40Å	Aromatic
ND	C4D	sing	0.00Å	1.38Å	Aromatic
C1D	C2D	doub	0.00Å	1.42Å	Aromatic
C2D	C3D	sing	0.00Å	1.35Å	Aromatic
C2D	CMD	sing	0.00Å	1.52Å
C3D	C4D	doub	0.00Å	1.43Å	Aromatic
C3D	CAD	sing	0.00Å	1.56Å
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	1.49Å
CAD	HAD1	sing	0.00Å	1.10Å
CAD	HAD2	sing	0.00Å	1.10Å
CBD	CGD	sing	0.00Å	1.48Å
CBD	HBD1	sing	0.00Å	1.10Å
CBD	HBD2	sing	0.00Å	1.10Å
CGD	O1D	doub	0.00Å	1.27Å
CGD	O2D	sing	0.00Å	1.29Å
O2D	H2D	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NA	FE	NB	87.9°	90.0°
NA	FE	NC	173.4°	90.0°
NA	FE	ND	88.8°	90.0°
FE	NA	C1A	126.6°	90.0°
FE	NA	C4A	125.3°	90.0°
NB	FE	NC	90.7°	90.0°
NB	FE	ND	175.6°	90.0°
FE	NB	C1B	127.7°	90.0°
FE	NB	C4B	124.7°	90.0°
NC	FE	ND	92.3°	90.0°
FE	NC	C1C	127.1°	90.0°
FE	NC	C4C	123.6°	90.0°
FE	ND	C1D	124.9°	90.0°
FE	ND	C4D	127.8°	90.0°
C1A	CHA	C4D	125.3°	90.0°
C1A	CHA	HHA	117.3°	90.0°
CHA	C1A	NA	123.7°	90.0°
CHA	C1A	C2A	127.4°	90.0°
C4D	CHA	HHA	117.3°	90.0°
CHA	C4D	ND	124.0°	90.0°
CHA	C4D	C3D	126.2°	90.0°
C4A	CHB	C1B	124.0°	90.0°
C4A	CHB	HHB	118.0°	90.0°
CHB	C4A	NA	126.9°	90.0°
CHB	C4A	C3A	122.1°	90.0°
C1B	CHB	HHB	118.0°	90.0°
CHB	C1B	NB	123.4°	90.0°
CHB	C1B	C2B	126.2°	90.0°
C4B	CHC	C1C	132.6°	90.0°
C4B	CHC	HHC	113.7°	90.0°
CHC	C4B	NB	124.8°	90.0°
CHC	C4B	C3B	126.3°	90.0°
C1C	CHC	HHC	113.7°	90.0°
CHC	C1C	NC	119.1°	90.0°
CHC	C1C	C2C	127.1°	90.0°
C4C	CHD	C1D	126.3°	90.0°
C4C	CHD	HHD	116.9°	90.0°
CHD	C4C	NC	123.1°	90.0°
CHD	C4C	C3C	126.5°	90.0°
C1D	CHD	HHD	116.8°	90.0°
CHD	C1D	ND	124.4°	90.0°
CHD	C1D	C2D	125.5°	90.0°
C1A	NA	C4A	106.3°	90.0°
NA	C1A	C2A	108.8°	90.0°
NA	C4A	C3A	111.0°	90.0°
C1A	C2A	C3A	108.4°	90.0°
C1A	C2A	CAA	120.8°	90.0°
C3A	C2A	CAA	130.7°	90.0°
C2A	C3A	C4A	105.5°	90.0°
C2A	C3A	CMA	133.6°	90.0°
C2A	CAA	CBA	117.8°	90.0°
C2A	CAA	HAA1	107.4°	90.0°
C2A	CAA	HAA2	107.3°	90.0°
C4A	C3A	CMA	120.8°	90.0°
C3A	CMA	HMA1	109.5°	90.0°
C3A	CMA	HMA2	109.4°	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	107.3°	90.0°
CBA	CAA	HAA2	107.3°	90.0°
CAA	CBA	CGA	111.4°	90.0°
CAA	CBA	HBA1	109.0°	90.0°
CAA	CBA	HBA2	109.0°	90.0°
HAA1	CAA	HAA2	109.5°	90.0°
CGA	CBA	HBA1	109.0°	90.0°
CGA	CBA	HBA2	109.0°	90.0°
CBA	CGA	O1A	108.5°	90.0°
CBA	CGA	O2A	120.9°	90.0°
HBA1	CBA	HBA2	109.5°	90.0°
O1A	CGA	O2A	130.5°	90.0°
CGA	O2A	H2A	109.5°	90.0°
C1B	NB	C4B	105.7°	90.0°
NB	C1B	C2B	109.4°	90.0°
NB	C4B	C3B	108.8°	90.0°
C1B	C2B	C3B	108.0°	90.0°
C1B	C2B	CMB	122.7°	90.0°
C3B	C2B	CMB	129.3°	90.0°
C2B	C3B	C4B	107.9°	90.0°
C2B	C3B	CAB	131.4°	90.0°
C2B	CMB	HMB1	109.5°	90.0°
C2B	CMB	HMB2	109.4°	90.0°
C2B	CMB	HMB3	109.5°	90.0°
C4B	C3B	CAB	120.6°	90.0°
C3B	CAB	CBB	110.2°	90.0°
C3B	CAB	HAB	124.9°	90.0°
HMB1	CMB	HMB2	109.4°	90.0°
HMB1	CMB	HMB3	109.5°	90.0°
HMB2	CMB	HMB3	109.5°	90.0°
CBB	CAB	HAB	124.9°	90.0°
CAB	CBB	HBB1	120.0°	90.0°
CAB	CBB	HBB2	120.0°	90.0°
HBB1	CBB	HBB2	120.0°	90.0°
C1C	NC	C4C	108.9°	90.0°
NC	C1C	C2C	113.8°	90.0°
NC	C4C	C3C	107.9°	90.0°
C1C	C2C	C3C	97.4°	90.0°
C1C	C2C	CMC	114.6°	90.0°
C1C	C2C	S	124.1°	90.0°
C3C	C2C	CMC	125.9°	90.0°
C3C	C2C	S	92.7°	90.0°
C2C	C3C	C4C	111.0°	90.0°
C2C	C3C	CAC	120.3°	90.0°
C2C	C3C	H3C	92.2°	90.0°
CMC	C2C	S	102.3°	90.0°
C2C	CMC	HMC1	109.5°	90.0°
C2C	CMC	HMC2	109.5°	90.0°
C2C	CMC	HMC3	109.5°	90.0°
C2C	S	CBC	97.5°	90.0°
C4C	C3C	CAC	128.1°	90.0°
C4C	C3C	H3C	92.3°	90.0°
CAC	C3C	H3C	92.6°	90.0°
C3C	CAC	CBC	113.1°	90.0°
C3C	CAC	HAC	123.4°	90.0°
HMC1	CMC	HMC2	109.5°	90.0°
HMC1	CMC	HMC3	109.4°	90.0°
HMC2	CMC	HMC3	109.5°	90.0°
CBC	CAC	HAC	123.5°	90.0°
CAC	CBC	S	100.4°	90.0°
CAC	CBC	HBC	129.8°	90.0°
S	CBC	HBC	129.8°	90.0°
C1D	ND	C4D	105.0°	90.0°
ND	C1D	C2D	110.1°	90.0°
ND	C4D	C3D	109.8°	90.0°
C1D	C2D	C3D	107.3°	90.0°
C1D	C2D	CMD	127.0°	90.0°
C3D	C2D	CMD	125.6°	90.0°
C2D	C3D	C4D	107.8°	90.0°
C2D	C3D	CAD	124.9°	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	127.2°	90.0°
C3D	CAD	CBD	111.6°	90.0°
C3D	CAD	HAD1	108.9°	90.0°
C3D	CAD	HAD2	108.9°	90.0°
HMD1	CMD	HMD2	109.5°	90.0°
HMD1	CMD	HMD3	109.4°	90.0°
HMD2	CMD	HMD3	109.5°	90.0°
CBD	CAD	HAD1	108.9°	90.0°
CBD	CAD	HAD2	108.9°	90.0°
CAD	CBD	CGD	125.6°	90.0°
CAD	CBD	HBD1	105.3°	90.0°
CAD	CBD	HBD2	105.3°	90.0°
HAD1	CAD	HAD2	109.5°	90.0°
CGD	CBD	HBD1	105.3°	90.0°
CGD	CBD	HBD2	105.3°	90.0°
CBD	CGD	O1D	118.8°	90.0°
CBD	CGD	O2D	113.2°	90.0°
HBD1	CBD	HBD2	109.5°	90.0°
O1D	CGD	O2D	127.9°	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	173.6°	90.0°
NA	FE	NB	ND	40.3°	90.0°
NA	FE	NC	ND	99.5°	90.0°
FE	NA	C1A	CHA	15.4°	90.0°
FE	NA	C4A	CHB	11.1°	90.0°
FE	NA	C1A	C4A	165.3°	90.0°
FE	NA	C1A	C2A	166.7°	90.0°
FE	NA	C4A	C3A	167.6°	90.0°
NA	FE	NB	C1B	13.6°	90.0°
NA	FE	NB	C4B	175.5°	90.0°
NA	FE	NC	C1C	83.9°	90.0°
NA	FE	NC	C4C	88.1°	90.0°
NA	FE	ND	C1D	162.6°	90.0°
NA	FE	ND	C4D	2.5°	90.0°
NB	FE	NC	ND	176.8°	90.0°
FE	NB	C1B	CHB	24.4°	90.0°
FE	NB	C4B	CHC	11.1°	90.0°
NB	FE	NA	C1A	169.6°	90.0°
NB	FE	NA	C4A	7.1°	90.0°
FE	NB	C1B	C4B	164.7°	90.0°
FE	NB	C1B	C2B	166.8°	90.0°
FE	NB	C4B	C3B	166.3°	90.0°
NB	FE	NC	C1C	6.7°	90.0°
NB	FE	NC	C4C	165.3°	90.0°
NB	FE	ND	C1D	122.4°	90.0°
NB	FE	ND	C4D	37.8°	90.0°
FE	NC	C1C	CHC	1.6°	90.0°
FE	NC	C4C	CHD	19.4°	90.0°
NC	FE	NA	C1A	112.9°	90.0°
NC	FE	NA	C4A	84.5°	90.0°
NC	FE	NB	C1B	172.9°	90.0°
NC	FE	NB	C4B	10.9°	90.0°
FE	NC	C1C	C4C	173.0°	90.0°
FE	NC	C1C	C2C	177.7°	90.0°
FE	NC	C4C	C3C	177.6°	90.0°
NC	FE	ND	C1D	10.9°	90.0°
NC	FE	ND	C4D	171.1°	90.0°
FE	ND	C4D	CHA	17.5°	90.0°
FE	ND	C1D	CHD	18.8°	90.0°
ND	FE	NA	C1A	13.2°	90.0°
ND	FE	NA	C4A	175.8°	90.0°
ND	FE	NB	C1B	53.8°	90.0°
ND	FE	NB	C4B	144.2°	90.0°
ND	FE	NC	C1C	176.5°	90.0°
ND	FE	NC	C4C	11.5°	90.0°
FE	ND	C1D	C4D	163.9°	90.0°
FE	ND	C1D	C2D	164.5°	90.0°
FE	ND	C4D	C3D	164.6°	90.0°
C1A	CHA	C4D	HHA	180.0°	90.0°
CHA	C1A	NA	C2A	177.9°	90.0°
CHA	C1A	NA	C4A	179.3°	90.0°
CHA	C1A	C2A	C3A	178.0°	90.0°
CHA	C1A	C2A	CAA	3.4°	90.0°
C1A	CHA	C4D	ND	19.1°	90.0°
C1A	CHA	C4D	C3D	163.3°	90.0°
C4D	CHA	C1A	NA	1.8°	90.0°
C4D	CHA	C1A	C2A	175.7°	90.0°
CHA	C4D	ND	C1D	179.3°	90.0°
CHA	C4D	ND	C3D	177.9°	90.0°
CHA	C4D	C3D	C2D	179.6°	90.0°
CHA	C4D	C3D	CAD	3.3°	90.0°
HHA	CHA	C1A	NA	178.2°	90.0°
HHA	CHA	C1A	C2A	4.3°	90.0°
HHA	CHA	C4D	ND	160.9°	90.0°
HHA	CHA	C4D	C3D	16.7°	90.0°
C4A	CHB	C1B	HHB	180.0°	90.0°
CHB	C4A	NA	C1A	176.6°	90.0°
CHB	C4A	NA	C3A	178.7°	90.0°
CHB	C4A	C3A	C2A	176.8°	90.0°
CHB	C4A	C3A	CMA	0.4°	90.0°
C4A	CHB	C1B	NB	25.3°	90.0°
C4A	CHB	C1B	C2B	167.9°	90.0°
C1B	CHB	C4A	NA	18.9°	90.0°
C1B	CHB	C4A	C3A	159.7°	90.0°
CHB	C1B	NB	C2B	168.8°	90.0°
CHB	C1B	NB	C4B	170.9°	90.0°
CHB	C1B	C2B	C3B	171.0°	90.0°
CHB	C1B	C2B	CMB	7.5°	90.0°
HHB	CHB	C4A	NA	161.1°	90.0°
HHB	CHB	C4A	C3A	20.3°	90.0°
HHB	CHB	C1B	NB	154.7°	90.0°
HHB	CHB	C1B	C2B	12.2°	90.0°
C4B	CHC	C1C	HHC	180.0°	90.0°
CHC	C4B	NB	C1B	176.4°	90.0°
CHC	C4B	NB	C3B	177.4°	90.0°
CHC	C4B	C3B	C2B	177.9°	90.0°
CHC	C4B	C3B	CAB	4.5°	90.0°
C4B	CHC	C1C	NC	2.5°	90.0°
C4B	CHC	C1C	C2C	178.3°	90.0°
C1C	CHC	C4B	NB	2.6°	90.0°
C1C	CHC	C4B	C3B	174.3°	90.0°
CHC	C1C	NC	C2C	179.3°	90.0°
CHC	C1C	NC	C4C	171.4°	90.0°
CHC	C1C	C2C	C3C	171.3°	90.0°
CHC	C1C	C2C	CMC	53.4°	90.0°
CHC	C1C	C2C	S	73.0°	90.0°
HHC	CHC	C4B	NB	177.4°	90.0°
HHC	CHC	C4B	C3B	5.6°	90.0°
HHC	CHC	C1C	NC	177.5°	90.0°
HHC	CHC	C1C	C2C	1.7°	90.0°
C4C	CHD	C1D	HHD	180.0°	90.0°
CHD	C4C	NC	C1C	167.4°	90.0°
CHD	C4C	NC	C3C	163.1°	90.0°
CHD	C4C	C3C	C2C	160.5°	90.0°
CHD	C4C	C3C	CAC	28.0°	90.0°
CHD	C4C	C3C	H3C	67.2°	90.0°
C4C	CHD	C1D	ND	25.1°	90.0°
C4C	CHD	C1D	C2D	158.7°	90.0°
C1D	CHD	C4C	NC	25.6°	90.0°
C1D	CHD	C4C	C3C	174.5°	90.0°
CHD	C1D	ND	C2D	176.7°	90.0°
CHD	C1D	ND	C4D	177.3°	90.0°
CHD	C1D	C2D	C3D	176.2°	90.0°
CHD	C1D	C2D	CMD	0.7°	90.0°
HHD	CHD	C4C	NC	154.4°	90.0°
HHD	CHD	C4C	C3C	5.5°	90.0°
HHD	CHD	C1D	ND	154.9°	90.0°
HHD	CHD	C1D	C2D	21.3°	90.0°
NA	C1A	C2A	C3A	0.3°	90.0°
NA	C1A	C2A	CAA	178.9°	90.0°
C1A	NA	C4A	C3A	2.1°	90.0°
C4A	NA	C1A	C2A	1.5°	90.0°
NA	C4A	C3A	C2A	2.0°	90.0°
NA	C4A	C3A	CMA	179.2°	90.0°
C1A	C2A	C3A	CAA	178.4°	90.0°
C1A	C2A	C3A	C4A	1.0°	90.0°
C1A	C2A	C3A	CMA	177.6°	90.0°
C1A	C2A	CAA	CBA	101.0°	90.0°
C1A	C2A	CAA	HAA1	137.8°	90.0°
C1A	C2A	CAA	HAA2	20.2°	90.0°
C2A	C3A	C4A	CMA	177.2°	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	77.3°	90.0°
C3A	C2A	CAA	HAA1	43.9°	90.0°
C3A	C2A	CAA	HAA2	161.5°	90.0°
CAA	C2A	C3A	C4A	177.5°	90.0°
CAA	C2A	C3A	CMA	0.8°	90.0°
C2A	CAA	CBA	HAA1	121.2°	90.0°
C2A	CAA	CBA	HAA2	121.2°	90.0°
C2A	CAA	HAA1	HAA2	116.2°	90.0°
C2A	CAA	CBA	CGA	54.9°	90.0°
C2A	CAA	CBA	HBA1	65.4°	90.0°
C2A	CAA	CBA	HBA2	175.2°	90.0°
C4A	C3A	CMA	HMA1	3.7°	90.0°
C4A	C3A	CMA	HMA2	123.8°	90.0°
C4A	C3A	CMA	HMA3	116.3°	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	116.2°	90.0°
CAA	CBA	CGA	HBA1	120.3°	90.0°
CAA	CBA	CGA	HBA2	120.3°	90.0°
CAA	CBA	HBA1	HBA2	119.1°	90.0°
CAA	CBA	CGA	O1A	54.9°	90.0°
CAA	CBA	CGA	O2A	123.4°	90.0°
HAA1	CAA	CBA	CGA	176.2°	90.0°
HAA1	CAA	CBA	HBA1	55.9°	90.0°
HAA1	CAA	CBA	HBA2	63.5°	90.0°
HAA2	CAA	CBA	CGA	66.2°	90.0°
HAA2	CAA	CBA	HBA1	173.5°	90.0°
HAA2	CAA	CBA	HBA2	54.1°	90.0°
CGA	CBA	HBA1	HBA2	119.1°	90.0°
CBA	CGA	O1A	O2A	178.1°	90.0°
CBA	CGA	O2A	H2A	177.9°	90.0°
HBA1	CBA	CGA	O1A	175.2°	90.0°
HBA1	CBA	CGA	O2A	3.1°	90.0°
HBA2	CBA	CGA	O1A	65.4°	90.0°
HBA2	CBA	CGA	O2A	116.3°	90.0°
O1A	CGA	O2A	H2A	0.0°	90.0°
NB	C1B	C2B	C3B	2.6°	90.0°
NB	C1B	C2B	CMB	175.9°	90.0°
C1B	NB	C4B	C3B	1.0°	90.0°
C4B	NB	C1B	C2B	2.2°	90.0°
NB	C4B	C3B	C2B	0.5°	90.0°
NB	C4B	C3B	CAB	178.1°	90.0°
C1B	C2B	C3B	CMB	178.4°	90.0°
C1B	C2B	C3B	C4B	1.8°	90.0°
C1B	C2B	C3B	CAB	179.1°	90.0°
C1B	C2B	CMB	HMB1	180.0°	90.0°
C1B	C2B	CMB	HMB2	60.0°	90.0°
C1B	C2B	CMB	HMB3	60.0°	90.0°
C2B	C3B	C4B	CAB	177.6°	90.0°
C3B	C2B	CMB	HMB1	1.8°	90.0°
C3B	C2B	CMB	HMB2	118.1°	90.0°
C3B	C2B	CMB	HMB3	121.9°	90.0°
C2B	C3B	CAB	CBB	89.5°	90.0°
C2B	C3B	CAB	HAB	90.5°	90.0°
CMB	C2B	C3B	C4B	176.5°	90.0°
CMB	C2B	C3B	CAB	0.7°	90.0°
C2B	CMB	HMB1	HMB2	120.0°	90.0°
C2B	CMB	HMB1	HMB3	120.0°	90.0°
C2B	CMB	HMB2	HMB3	120.0°	90.0°
C4B	C3B	CAB	CBB	87.4°	90.0°
C4B	C3B	CAB	HAB	92.6°	90.0°
C3B	CAB	CBB	HAB	180.0°	90.0°
C3B	CAB	CBB	HBB1	180.0°	90.0°
C3B	CAB	CBB	HBB2	0.0°	90.0°
HMB1	CMB	HMB2	HMB3	120.0°	90.0°
CAB	CBB	HBB1	HBB2	180.0°	90.0°
HAB	CAB	CBB	HBB1	0.0°	90.0°
HAB	CAB	CBB	HBB2	180.0°	90.0°
NC	C1C	C2C	C3C	9.4°	90.0°
NC	C1C	C2C	CMC	125.8°	90.0°
NC	C1C	C2C	S	107.8°	90.0°
C1C	NC	C4C	C3C	4.3°	90.0°
C4C	NC	C1C	C2C	9.3°	90.0°
NC	C4C	C3C	C2C	1.9°	90.0°
NC	C4C	C3C	CAC	169.7°	90.0°
NC	C4C	C3C	H3C	95.2°	90.0°
C1C	C2C	C3C	CMC	127.8°	90.0°
C1C	C2C	C3C	S	124.9°	90.0°
C1C	C2C	CMC	S	137.0°	90.0°
C1C	C2C	C3C	C4C	6.5°	90.0°
C1C	C2C	C3C	CAC	165.8°	90.0°
C1C	C2C	C3C	H3C	99.9°	90.0°
C1C	C2C	CMC	HMC1	180.0°	90.0°
C1C	C2C	CMC	HMC2	60.0°	90.0°
C1C	C2C	CMC	HMC3	60.0°	90.0°
C1C	C2C	S	CBC	134.0°	90.0°
C3C	C2C	CMC	S	102.5°	90.0°
C2C	C3C	C4C	CAC	171.5°	90.0°
C2C	C3C	C4C	H3C	93.3°	90.0°
C2C	C3C	CAC	H3C	94.1°	90.0°
C3C	C2C	CMC	HMC1	59.5°	90.0°
C3C	C2C	CMC	HMC2	179.5°	90.0°
C3C	C2C	CMC	HMC3	60.5°	90.0°
C2C	C3C	CAC	CBC	26.6°	90.0°
C2C	C3C	CAC	HAC	153.4°	90.0°
C3C	C2C	S	CBC	33.1°	90.0°
CMC	C2C	C3C	C4C	121.3°	90.0°
CMC	C2C	C3C	CAC	66.4°	90.0°
CMC	C2C	C3C	H3C	27.9°	90.0°
C2C	CMC	HMC1	HMC2	120.0°	90.0°
C2C	CMC	HMC1	HMC3	120.0°	90.0°
C2C	CMC	HMC2	HMC3	120.0°	90.0°
CMC	C2C	S	CBC	94.6°	90.0°
S	C2C	C3C	C4C	131.4°	90.0°
S	C2C	C3C	CAC	40.9°	90.0°
S	C2C	C3C	H3C	135.2°	90.0°
S	C2C	CMC	HMC1	43.0°	90.0°
S	C2C	CMC	HMC2	77.0°	90.0°
S	C2C	CMC	HMC3	163.0°	90.0°
C2C	S	CBC	CAC	24.6°	90.0°
C2C	S	CBC	HBC	155.4°	90.0°
C4C	C3C	CAC	H3C	95.0°	90.0°
C4C	C3C	CAC	CBC	144.2°	90.0°
C4C	C3C	CAC	HAC	35.8°	90.0°
C3C	CAC	CBC	HAC	180.0°	90.0°
C3C	CAC	CBC	S	3.4°	90.0°
C3C	CAC	CBC	HBC	176.7°	90.0°
H3C	C3C	CAC	CBC	120.7°	90.0°
H3C	C3C	CAC	HAC	59.3°	90.0°
HMC1	CMC	HMC2	HMC3	120.0°	90.0°
CAC	CBC	S	HBC	180.0°	90.0°
HAC	CAC	CBC	S	176.7°	90.0°
HAC	CAC	CBC	HBC	3.3°	90.0°
ND	C1D	C2D	C3D	0.5°	90.0°
ND	C1D	C2D	CMD	177.4°	90.0°
C1D	ND	C4D	C3D	1.4°	90.0°
C4D	ND	C1D	C2D	0.6°	90.0°
ND	C4D	C3D	C2D	1.7°	90.0°
ND	C4D	C3D	CAD	178.9°	90.0°
C1D	C2D	C3D	CMD	177.0°	90.0°
C1D	C2D	C3D	C4D	1.3°	90.0°
C1D	C2D	C3D	CAD	178.5°	90.0°
C1D	C2D	CMD	HMD1	88.2°	90.0°
C1D	C2D	CMD	HMD2	151.8°	90.0°
C1D	C2D	CMD	HMD3	31.8°	90.0°
C2D	C3D	C4D	CAD	177.2°	90.0°
C3D	C2D	CMD	HMD1	88.3°	90.0°
C3D	C2D	CMD	HMD2	31.7°	90.0°
C3D	C2D	CMD	HMD3	151.7°	90.0°
C2D	C3D	CAD	CBD	96.6°	90.0°
C2D	C3D	CAD	HAD1	23.8°	90.0°
C2D	C3D	CAD	HAD2	143.1°	90.0°
CMD	C2D	C3D	C4D	178.3°	90.0°
CMD	C2D	C3D	CAD	4.5°	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	80.1°	90.0°
C4D	C3D	CAD	HAD1	159.5°	90.0°
C4D	C3D	CAD	HAD2	40.2°	90.0°
C3D	CAD	CBD	HAD1	120.3°	90.0°
C3D	CAD	CBD	HAD2	120.3°	90.0°
C3D	CAD	HAD1	HAD2	119.0°	90.0°
C3D	CAD	CBD	CGD	167.7°	90.0°
C3D	CAD	CBD	HBD1	70.2°	90.0°
C3D	CAD	CBD	HBD2	45.5°	90.0°
HMD1	CMD	HMD2	HMD3	120.0°	90.0°
CBD	CAD	HAD1	HAD2	119.0°	90.0°
CAD	CBD	CGD	HBD1	122.1°	90.0°
CAD	CBD	CGD	HBD2	122.2°	90.0°
CAD	CBD	HBD1	HBD2	112.8°	90.0°
CAD	CBD	CGD	O1D	61.1°	90.0°
CAD	CBD	CGD	O2D	120.0°	90.0°
HAD1	CAD	CBD	CGD	47.4°	90.0°
HAD1	CAD	CBD	HBD1	169.5°	90.0°
HAD1	CAD	CBD	HBD2	74.8°	90.0°
HAD2	CAD	CBD	CGD	72.0°	90.0°
HAD2	CAD	CBD	HBD1	50.2°	90.0°
HAD2	CAD	CBD	HBD2	165.8°	90.0°
CGD	CBD	HBD1	HBD2	112.7°	90.0°
CBD	CGD	O1D	O2D	178.7°	90.0°
CBD	CGD	O2D	H2D	178.7°	90.0°
HBD1	CBD	CGD	O1D	176.7°	90.0°
HBD1	CBD	CGD	O2D	2.1°	90.0°
HBD2	CBD	CGD	O1D	61.1°	90.0°
HBD2	CBD	CGD	O2D	117.8°	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:	EBI
Derived from:	1YMC