HE5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1A	CGA	doub	0.00Å	1.22Å
CGA	O2A	sing	0.00Å	1.47Å
CGA	CBA	sing	0.00Å	1.52Å
O2A	C40	sing	0.00Å	1.43Å
C40	H401	sing	0.00Å	1.10Å
C40	H402	sing	0.00Å	1.10Å
C40	H403	sing	0.00Å	1.10Å
CBA	CAA	sing	0.00Å	1.54Å
CBA	HBA1	sing	0.00Å	1.10Å
CBA	HBA2	sing	0.00Å	1.10Å
CAA	C2A	sing	0.00Å	1.52Å
CAA	HAA1	sing	0.00Å	1.10Å
CAA	HAA2	sing	0.00Å	1.10Å
C2A	C1A	doub	0.00Å	1.40Å	Aromatic
C2A	C3A	sing	0.00Å	1.40Å	Aromatic
C1A	CHA	sing	0.00Å	1.47Å
C1A	NA	sing	0.00Å	1.33Å	Aromatic
CHA	C4D	doub	0.00Å	1.48Å
CHA	HHA	sing	0.00Å	1.08Å
C3A	C4A	doub	0.00Å	1.38Å	Aromatic
C3A	CMA	sing	0.00Å	1.51Å
CMA	HMA1	sing	0.00Å	1.10Å
CMA	HMA2	sing	0.00Å	1.10Å
CMA	HMA3	sing	0.00Å	1.10Å
C4A	NA	sing	0.00Å	1.34Å	Aromatic
C4A	CHB	sing	0.00Å	1.47Å
NA	ZN	sing	0.00Å	2.17Å
CHB	C1B	doub	0.00Å	1.46Å
CHB	HHB	sing	0.00Å	1.08Å
C1B	NB	sing	0.00Å	1.33Å
C1B	C2B	sing	0.00Å	1.39Å
C2B	C3B	sing	0.00Å	1.39Å
C2B	H2B1	sing	0.00Å	1.10Å
C2B	H2B2	sing	0.00Å	1.10Å
C3B	C4B	sing	0.00Å	1.40Å
C3B	CAB	sing	0.00Å	1.51Å
C3B	H3B	sing	0.00Å	1.10Å
CAB	HAB1	sing	0.00Å	1.10Å
CAB	HAB2	sing	0.00Å	1.10Å
CAB	HAB3	sing	0.00Å	1.10Å
NB	ZN	sing	0.00Å	2.16Å
NB	C4B	sing	0.00Å	1.33Å
ZN	ND	sing	0.00Å	2.16Å
ZN	NC	sing	0.00Å	2.16Å
ND	C1D	sing	0.00Å	1.34Å	Aromatic
ND	C4D	sing	0.00Å	1.33Å	Aromatic
C4D	C3D	sing	0.00Å	1.39Å	Aromatic
C4B	CHC	doub	0.00Å	1.48Å
CHC	C1C	sing	0.00Å	1.48Å
CHC	HHC	sing	0.00Å	1.08Å
C1C	C2C	doub	0.00Å	1.39Å	Aromatic
C1C	NC	sing	0.00Å	1.34Å	Aromatic
C2C	C3C	sing	0.00Å	1.40Å	Aromatic
C2C	H2C	sing	0.00Å	1.08Å
C3C	CAC	sing	0.00Å	1.51Å
C3C	C4C	doub	0.00Å	1.39Å	Aromatic
CAC	HAC1	sing	0.00Å	1.10Å
CAC	HAC2	sing	0.00Å	1.10Å
CAC	HAC3	sing	0.00Å	1.10Å
NC	C4C	sing	0.00Å	1.33Å	Aromatic
C4C	CHD	sing	0.00Å	1.48Å
CHD	C1D	doub	0.00Å	1.48Å
CHD	HHD	sing	0.00Å	1.08Å
C1D	C2D	sing	0.00Å	1.40Å	Aromatic
C2D	CMD	sing	0.00Å	1.51Å
C2D	C3D	doub	0.00Å	1.40Å	Aromatic
CMD	HMD1	sing	0.00Å	1.10Å
CMD	HMD2	sing	0.00Å	1.10Å
CMD	HMD3	sing	0.00Å	1.10Å
C3D	CAD	sing	0.00Å	1.51Å
CAD	CBD	sing	0.00Å	1.52Å
CAD	HAD1	sing	0.00Å	1.10Å
CAD	HAD2	sing	0.00Å	1.10Å
CBD	CGD	sing	0.00Å	1.51Å
CBD	HBD1	sing	0.00Å	1.10Å
CBD	HBD2	sing	0.00Å	1.10Å
CGD	O1D	doub	0.00Å	1.23Å
CGD	O2D	sing	0.00Å	1.45Å
O2D	C41	sing	0.00Å	1.44Å
C41	H411	sing	0.00Å	1.10Å
C41	H412	sing	0.00Å	1.10Å
C41	H413	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1A	CGA	O2A	118.7°	90.0°
O1A	CGA	CBA	119.3°	90.0°
O2A	CGA	CBA	122.0°	90.0°
CGA	O2A	C40	120.7°	90.0°
CGA	CBA	CAA	113.2°	90.0°
CGA	CBA	HBA1	108.3°	90.0°
CGA	CBA	HBA2	107.4°	90.0°
O2A	C40	H401	109.5°	90.0°
O2A	C40	H402	109.5°	90.0°
O2A	C40	H403	109.5°	90.0°
H401	C40	H402	109.5°	90.0°
H401	C40	H403	109.5°	90.0°
H402	C40	H403	109.5°	90.0°
CAA	CBA	HBA1	108.2°	90.0°
CAA	CBA	HBA2	107.4°	90.0°
CBA	CAA	C2A	113.3°	90.0°
CBA	CAA	HAA1	108.2°	90.0°
CBA	CAA	HAA2	107.4°	90.0°
HBA1	CBA	HBA2	112.4°	90.0°
C2A	CAA	HAA1	108.2°	90.0°
C2A	CAA	HAA2	107.3°	90.0°
CAA	C2A	C1A	126.5°	90.0°
CAA	C2A	C3A	128.1°	90.0°
HAA1	CAA	HAA2	112.5°	90.0°
C1A	C2A	C3A	105.4°	90.0°
C2A	C1A	CHA	125.6°	90.0°
C2A	C1A	NA	110.8°	90.0°
C2A	C3A	C4A	105.6°	90.0°
C2A	C3A	CMA	128.7°	90.0°
CHA	C1A	NA	123.6°	90.0°
C1A	CHA	C4D	128.0°	90.0°
C1A	CHA	HHA	116.0°	90.0°
C1A	NA	C4A	106.9°	90.0°
C1A	NA	ZN	126.8°	90.0°
C4D	CHA	HHA	116.0°	90.0°
CHA	C4D	ND	125.0°	90.0°
CHA	C4D	C3D	124.9°	90.0°
C4A	C3A	CMA	125.7°	90.0°
C3A	C4A	NA	111.3°	90.0°
C3A	C4A	CHB	123.5°	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	109.4°	90.0°
HMA1	CMA	HMA3	109.5°	90.0°
HMA2	CMA	HMA3	109.5°	90.0°
NA	C4A	CHB	125.2°	90.0°
C4A	NA	ZN	126.3°	90.0°
C4A	CHB	C1B	126.7°	90.0°
C4A	CHB	HHB	116.7°	90.0°
NA	ZN	NB	89.3°	90.0°
NA	ZN	ND	89.9°	90.0°
NA	ZN	NC	170.2°	90.0°
C1B	CHB	HHB	116.6°	90.0°
CHB	C1B	NB	126.1°	90.0°
CHB	C1B	C2B	119.5°	90.0°
NB	C1B	C2B	114.4°	90.0°
C1B	NB	ZN	125.9°	90.0°
C1B	NB	C4B	106.3°	90.0°
C1B	C2B	C3B	101.2°	90.0°
C1B	C2B	H2B1	112.3°	90.0°
C1B	C2B	H2B2	114.0°	90.0°
C3B	C2B	H2B1	112.3°	90.0°
C3B	C2B	H2B2	114.0°	90.0°
C2B	C3B	C4B	109.6°	90.0°
C2B	C3B	CAB	115.2°	90.0°
C2B	C3B	H3B	169.5°	90.0°
H2B1	C2B	H2B2	103.3°	90.0°
C4B	C3B	CAB	135.2°	90.0°
C4B	C3B	H3B	79.3°	90.0°
C3B	C4B	NB	108.4°	90.0°
C3B	C4B	CHC	127.7°	90.0°
CAB	C3B	H3B	56.4°	90.0°
C3B	CAB	HAB1	109.5°	90.0°
C3B	CAB	HAB2	109.5°	90.0°
C3B	CAB	HAB3	109.4°	90.0°
HAB1	CAB	HAB2	109.5°	90.0°
HAB1	CAB	HAB3	109.5°	90.0°
HAB2	CAB	HAB3	109.5°	90.0°
ZN	NB	C4B	127.7°	90.0°
NB	ZN	ND	170.3°	90.0°
NB	ZN	NC	89.2°	90.0°
NB	C4B	CHC	123.9°	90.0°
ND	ZN	NC	89.9°	90.0°
ZN	ND	C1D	126.4°	90.0°
ZN	ND	C4D	125.6°	90.0°
ZN	NC	C1C	125.6°	90.0°
ZN	NC	C4C	126.7°	90.0°
C1D	ND	C4D	108.0°	90.0°
ND	C1D	CHD	124.5°	90.0°
ND	C1D	C2D	110.1°	90.0°
ND	C4D	C3D	110.1°	90.0°
C4D	C3D	C2D	106.2°	90.0°
C4D	C3D	CAD	127.2°	90.0°
C4B	CHC	C1C	126.2°	90.0°
C4B	CHC	HHC	116.9°	90.0°
C1C	CHC	HHC	116.9°	90.0°
CHC	C1C	C2C	120.9°	90.0°
CHC	C1C	NC	126.3°	90.0°
C2C	C1C	NC	112.7°	90.0°
C1C	C2C	C3C	102.2°	90.0°
C1C	C2C	H2C	128.9°	90.0°
C1C	NC	C4C	107.7°	90.0°
C3C	C2C	H2C	128.9°	90.0°
C2C	C3C	CAC	116.3°	90.0°
C2C	C3C	C4C	109.3°	90.0°
CAC	C3C	C4C	134.4°	90.0°
C3C	CAC	HAC1	109.5°	90.0°
C3C	CAC	HAC2	109.5°	90.0°
C3C	CAC	HAC3	109.5°	90.0°
C3C	C4C	NC	108.1°	90.0°
C3C	C4C	CHD	127.4°	90.0°
HAC1	CAC	HAC2	109.5°	90.0°
HAC1	CAC	HAC3	109.4°	90.0°
HAC2	CAC	HAC3	109.5°	90.0°
NC	C4C	CHD	124.5°	90.0°
C4C	CHD	C1D	127.5°	90.0°
C4C	CHD	HHD	116.3°	90.0°
C1D	CHD	HHD	116.3°	90.0°
CHD	C1D	C2D	125.4°	90.0°
C1D	C2D	CMD	128.0°	90.0°
C1D	C2D	C3D	105.6°	90.0°
CMD	C2D	C3D	126.4°	90.0°
C2D	CMD	HMD1	109.5°	90.0°
C2D	CMD	HMD2	109.5°	90.0°
C2D	CMD	HMD3	109.5°	90.0°
C2D	C3D	CAD	126.6°	90.0°
HMD1	CMD	HMD2	109.5°	90.0°
HMD1	CMD	HMD3	109.4°	90.0°
HMD2	CMD	HMD3	109.5°	90.0°
C3D	CAD	CBD	107.7°	90.0°
C3D	CAD	HAD1	110.1°	90.0°
C3D	CAD	HAD2	110.5°	90.0°
CBD	CAD	HAD1	110.1°	90.0°
CBD	CAD	HAD2	110.5°	90.0°
CAD	CBD	CGD	112.0°	90.0°
CAD	CBD	HBD1	108.7°	90.0°
CAD	CBD	HBD2	108.1°	90.0°
HAD1	CAD	HAD2	108.1°	90.0°
CGD	CBD	HBD1	108.6°	90.0°
CGD	CBD	HBD2	108.0°	90.0°
CBD	CGD	O1D	122.1°	90.0°
CBD	CGD	O2D	118.5°	90.0°
HBD1	CBD	HBD2	111.4°	90.0°
O1D	CGD	O2D	119.4°	90.0°
CGD	O2D	C41	119.7°	90.0°
O2D	C41	H411	109.5°	90.0°
O2D	C41	H412	109.4°	90.0°
O2D	C41	H413	109.5°	90.0°
H411	C41	H412	109.5°	90.0°
H411	C41	H413	109.5°	90.0°
H412	C41	H413	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1A	CGA	O2A	CBA	179.8°	90.0°
O1A	CGA	O2A	C40	105.4°	90.0°
O1A	CGA	CBA	CAA	42.0°	90.0°
O1A	CGA	CBA	HBA1	78.0°	90.0°
O1A	CGA	CBA	HBA2	160.4°	90.0°
CGA	O2A	C40	H401	70.7°	90.0°
CGA	O2A	C40	H402	169.4°	90.0°
CGA	O2A	C40	H403	49.3°	90.0°
O2A	CGA	CBA	CAA	137.8°	90.0°
O2A	CGA	CBA	HBA1	102.2°	90.0°
O2A	CGA	CBA	HBA2	19.4°	90.0°
CBA	CGA	O2A	C40	74.8°	90.0°
CGA	CBA	CAA	HBA1	120.0°	90.0°
CGA	CBA	CAA	HBA2	118.4°	90.0°
CGA	CBA	HBA1	HBA2	118.5°	90.0°
CGA	CBA	CAA	C2A	53.6°	90.0°
CGA	CBA	CAA	HAA1	173.6°	90.0°
CGA	CBA	CAA	HAA2	64.7°	90.0°
O2A	C40	H401	H402	120.0°	90.0°
O2A	C40	H401	H403	120.0°	90.0°
O2A	C40	H402	H403	120.0°	90.0°
H401	C40	H402	H403	120.0°	90.0°
CAA	CBA	HBA1	HBA2	118.4°	90.0°
CBA	CAA	C2A	HAA1	120.0°	90.0°
CBA	CAA	C2A	HAA2	118.4°	90.0°
CBA	CAA	HAA1	HAA2	118.5°	90.0°
CBA	CAA	C2A	C1A	138.8°	90.0°
CBA	CAA	C2A	C3A	41.8°	90.0°
HBA1	CBA	CAA	C2A	173.6°	90.0°
HBA1	CBA	CAA	HAA1	66.4°	90.0°
HBA1	CBA	CAA	HAA2	55.3°	90.0°
HBA2	CBA	CAA	C2A	64.8°	90.0°
HBA2	CBA	CAA	HAA1	55.2°	90.0°
HBA2	CBA	CAA	HAA2	176.9°	90.0°
C2A	CAA	HAA1	HAA2	118.4°	90.0°
CAA	C2A	C1A	C3A	179.5°	90.0°
CAA	C2A	C1A	CHA	0.3°	90.0°
CAA	C2A	C1A	NA	179.5°	90.0°
CAA	C2A	C3A	C4A	179.9°	90.0°
CAA	C2A	C3A	CMA	0.3°	90.0°
HAA1	CAA	C2A	C1A	101.2°	90.0°
HAA1	CAA	C2A	C3A	78.2°	90.0°
HAA2	CAA	C2A	C1A	20.4°	90.0°
HAA2	CAA	C2A	C3A	160.2°	90.0°
C2A	C1A	CHA	NA	179.1°	90.0°
C2A	C1A	CHA	C4D	170.1°	90.0°
C2A	C1A	CHA	HHA	9.9°	90.0°
C1A	C2A	C3A	C4A	0.6°	90.0°
C1A	C2A	C3A	CMA	179.8°	90.0°
C2A	C1A	NA	C4A	0.9°	90.0°
C2A	C1A	NA	ZN	179.4°	90.0°
C3A	C2A	C1A	CHA	179.8°	90.0°
C3A	C2A	C1A	NA	1.0°	90.0°
C2A	C3A	C4A	CMA	179.6°	90.0°
C2A	C3A	CMA	HMA1	100.7°	90.0°
C2A	C3A	CMA	HMA2	139.4°	90.0°
C2A	C3A	CMA	HMA3	19.3°	90.0°
C2A	C3A	C4A	NA	0.1°	90.0°
C2A	C3A	C4A	CHB	179.4°	90.0°
C1A	CHA	C4D	HHA	180.0°	90.0°
CHA	C1A	NA	C4A	179.8°	90.0°
CHA	C1A	NA	ZN	0.1°	90.0°
C1A	CHA	C4D	ND	12.1°	90.0°
C1A	CHA	C4D	C3D	170.8°	90.0°
NA	C1A	CHA	C4D	10.8°	90.0°
NA	C1A	CHA	HHA	169.2°	90.0°
C1A	NA	C4A	C3A	0.5°	90.0°
C1A	NA	C4A	ZN	179.7°	90.0°
C1A	NA	C4A	CHB	180.0°	90.0°
C1A	NA	ZN	NB	176.3°	90.0°
C1A	NA	ZN	ND	6.0°	90.0°
C1A	NA	ZN	NC	94.8°	90.0°
CHA	C4D	ND	ZN	2.2°	90.0°
CHA	C4D	ND	C1D	179.5°	90.0°
CHA	C4D	ND	C3D	177.5°	90.0°
CHA	C4D	C3D	C2D	178.5°	90.0°
CHA	C4D	C3D	CAD	2.3°	90.0°
HHA	CHA	C4D	ND	167.9°	90.0°
HHA	CHA	C4D	C3D	9.2°	90.0°
C4A	C3A	CMA	HMA1	78.8°	90.0°
C4A	C3A	CMA	HMA2	41.2°	90.0°
C4A	C3A	CMA	HMA3	161.2°	90.0°
C3A	C4A	NA	CHB	179.5°	90.0°
C3A	C4A	NA	ZN	179.8°	90.0°
C3A	C4A	CHB	C1B	173.8°	90.0°
C3A	C4A	CHB	HHB	6.1°	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°
CMA	C3A	C4A	NA	179.7°	90.0°
CMA	C3A	C4A	CHB	0.1°	90.0°
HMA1	CMA	HMA2	HMA3	120.0°	90.0°
NA	C4A	CHB	C1B	6.7°	90.0°
NA	C4A	CHB	HHB	173.3°	90.0°
C4A	NA	ZN	NB	3.4°	90.0°
C4A	NA	ZN	ND	173.7°	90.0°
C4A	NA	ZN	NC	84.9°	90.0°
CHB	C4A	NA	ZN	0.3°	90.0°
C4A	CHB	C1B	HHB	180.0°	90.0°
C4A	CHB	C1B	NB	7.7°	90.0°
C4A	CHB	C1B	C2B	174.3°	90.0°
NA	ZN	NB	C1B	2.6°	90.0°
NA	ZN	NB	ND	85.7°	90.0°
NA	ZN	NB	NC	170.3°	90.0°
NA	ZN	NB	C4B	175.1°	90.0°
NA	ZN	ND	NC	170.2°	90.0°
NA	ZN	ND	C1D	173.1°	90.0°
NA	ZN	ND	C4D	4.9°	90.0°
NA	ZN	NC	C1C	85.8°	90.0°
NA	ZN	NC	C4C	91.9°	90.0°
CHB	C1B	NB	C2B	178.1°	90.0°
CHB	C1B	C2B	C3B	179.0°	90.0°
CHB	C1B	C2B	H2B1	59.0°	90.0°
CHB	C1B	C2B	H2B2	58.1°	90.0°
CHB	C1B	NB	ZN	2.0°	90.0°
CHB	C1B	NB	C4B	179.9°	90.0°
HHB	CHB	C1B	NB	172.3°	90.0°
HHB	CHB	C1B	C2B	5.7°	90.0°
NB	C1B	C2B	C3B	0.8°	90.0°
NB	C1B	C2B	H2B1	119.3°	90.0°
NB	C1B	C2B	H2B2	123.7°	90.0°
C1B	NB	C4B	C3B	2.1°	90.0°
C1B	NB	ZN	C4B	177.7°	90.0°
C1B	NB	ZN	ND	88.3°	90.0°
C1B	NB	ZN	NC	172.9°	90.0°
C1B	NB	C4B	CHC	179.6°	90.0°
C1B	C2B	C3B	H2B1	120.0°	90.0°
C1B	C2B	C3B	H2B2	122.9°	90.0°
C1B	C2B	H2B1	H2B2	123.3°	90.0°
C1B	C2B	C3B	C4B	0.5°	90.0°
C1B	C2B	C3B	CAB	179.0°	90.0°
C1B	C2B	C3B	H3B	146.7°	90.0°
C2B	C1B	NB	ZN	179.9°	90.0°
C2B	C1B	NB	C4B	1.8°	90.0°
C3B	C2B	H2B1	H2B2	123.3°	90.0°
C2B	C3B	C4B	CAB	178.1°	90.0°
C2B	C3B	C4B	H3B	174.3°	90.0°
C2B	C3B	CAB	H3B	173.0°	90.0°
C2B	C3B	CAB	HAB1	32.9°	90.0°
C2B	C3B	CAB	HAB2	87.1°	90.0°
C2B	C3B	CAB	HAB3	152.9°	90.0°
C2B	C3B	C4B	NB	1.7°	90.0°
C2B	C3B	C4B	CHC	179.9°	90.0°
H2B1	C2B	C3B	C4B	120.6°	90.0°
H2B1	C2B	C3B	CAB	61.0°	90.0°
H2B1	C2B	C3B	H3B	26.7°	90.0°
H2B2	C2B	C3B	C4B	122.4°	90.0°
H2B2	C2B	C3B	CAB	56.1°	90.0°
H2B2	C2B	C3B	H3B	90.4°	90.0°
C4B	C3B	CAB	H3B	9.1°	90.0°
C4B	C3B	CAB	HAB1	145.1°	90.0°
C4B	C3B	CAB	HAB2	94.9°	90.0°
C4B	C3B	CAB	HAB3	25.1°	90.0°
C3B	C4B	NB	ZN	179.9°	90.0°
C3B	C4B	NB	CHC	178.4°	90.0°
C3B	C4B	CHC	C1C	170.6°	90.0°
C3B	C4B	CHC	HHC	9.4°	90.0°
C3B	CAB	HAB1	HAB2	120.0°	90.0°
C3B	CAB	HAB1	HAB3	120.0°	90.0°
C3B	CAB	HAB2	HAB3	120.0°	90.0°
CAB	C3B	C4B	NB	179.7°	90.0°
CAB	C3B	C4B	CHC	2.0°	90.0°
H3B	C3B	CAB	HAB1	154.2°	90.0°
H3B	C3B	CAB	HAB2	85.8°	90.0°
H3B	C3B	CAB	HAB3	34.2°	90.0°
H3B	C3B	C4B	NB	172.6°	90.0°
H3B	C3B	C4B	CHC	5.7°	90.0°
HAB1	CAB	HAB2	HAB3	120.0°	90.0°
NB	ZN	ND	NC	84.5°	90.0°
NB	ZN	ND	C1D	87.4°	90.0°
NB	ZN	ND	C4D	90.6°	90.0°
ZN	NB	C4B	CHC	1.6°	90.0°
NB	ZN	NC	C1C	4.3°	90.0°
NB	ZN	NC	C4C	173.5°	90.0°
C4B	NB	ZN	ND	89.4°	90.0°
C4B	NB	ZN	NC	4.8°	90.0°
NB	C4B	CHC	C1C	11.3°	90.0°
NB	C4B	CHC	HHC	168.6°	90.0°
ZN	ND	C1D	C4D	178.2°	90.0°
ZN	ND	C4D	C3D	179.7°	90.0°
ND	ZN	NC	C1C	174.6°	90.0°
ND	ZN	NC	C4C	3.2°	90.0°
ZN	ND	C1D	CHD	2.1°	90.0°
ZN	ND	C1D	C2D	179.5°	90.0°
NC	ZN	ND	C1D	2.9°	90.0°
NC	ZN	ND	C4D	175.1°	90.0°
ZN	NC	C1C	CHC	2.6°	90.0°
ZN	NC	C1C	C2C	179.9°	90.0°
ZN	NC	C1C	C4C	178.1°	90.0°
ZN	NC	C4C	C3C	179.9°	90.0°
ZN	NC	C4C	CHD	1.6°	90.0°
C1D	ND	C4D	C3D	2.0°	90.0°
ND	C1D	CHD	C4C	9.2°	90.0°
ND	C1D	CHD	C2D	176.9°	90.0°
ND	C1D	CHD	HHD	170.9°	90.0°
ND	C1D	C2D	CMD	179.3°	90.0°
ND	C1D	C2D	C3D	1.6°	90.0°
C4D	ND	C1D	CHD	179.6°	90.0°
C4D	ND	C1D	C2D	2.3°	90.0°
ND	C4D	C3D	C2D	1.0°	90.0°
ND	C4D	C3D	CAD	179.8°	90.0°
C4D	C3D	C2D	C1D	0.4°	90.0°
C4D	C3D	C2D	CMD	179.5°	90.0°
C4D	C3D	C2D	CAD	179.2°	90.0°
C4D	C3D	CAD	CBD	76.5°	90.0°
C4D	C3D	CAD	HAD1	163.5°	90.0°
C4D	C3D	CAD	HAD2	44.3°	90.0°
C4B	CHC	C1C	HHC	180.0°	90.0°
C4B	CHC	C1C	C2C	170.8°	90.0°
C4B	CHC	C1C	NC	12.1°	90.0°
CHC	C1C	C2C	NC	177.5°	90.0°
CHC	C1C	C2C	C3C	178.8°	90.0°
CHC	C1C	C2C	H2C	1.3°	90.0°
CHC	C1C	NC	C4C	179.3°	90.0°
HHC	CHC	C1C	C2C	9.2°	90.0°
HHC	CHC	C1C	NC	167.9°	90.0°
C1C	C2C	C3C	H2C	180.0°	90.0°
C1C	C2C	C3C	CAC	179.0°	90.0°
C1C	C2C	C3C	C4C	0.1°	90.0°
C2C	C1C	NC	C4C	2.0°	90.0°
NC	C1C	C2C	C3C	1.3°	90.0°
NC	C1C	C2C	H2C	178.8°	90.0°
C1C	NC	C4C	C3C	1.8°	90.0°
C1C	NC	C4C	CHD	179.6°	90.0°
C2C	C3C	CAC	C4C	178.8°	90.0°
C2C	C3C	CAC	HAC1	93.9°	90.0°
C2C	C3C	CAC	HAC2	26.2°	90.0°
C2C	C3C	CAC	HAC3	146.2°	90.0°
C2C	C3C	C4C	NC	1.1°	90.0°
C2C	C3C	C4C	CHD	179.6°	90.0°
H2C	C2C	C3C	CAC	1.0°	90.0°
H2C	C2C	C3C	C4C	179.9°	90.0°
C3C	CAC	HAC1	HAC2	120.0°	90.0°
C3C	CAC	HAC1	HAC3	120.0°	90.0°
C3C	CAC	HAC2	HAC3	120.0°	90.0°
CAC	C3C	C4C	NC	179.9°	90.0°
CAC	C3C	C4C	CHD	1.6°	90.0°
C4C	C3C	CAC	HAC1	84.9°	90.0°
C4C	C3C	CAC	HAC2	155.1°	90.0°
C4C	C3C	CAC	HAC3	35.1°	90.0°
C3C	C4C	NC	CHD	178.5°	90.0°
C3C	C4C	CHD	C1D	172.9°	90.0°
C3C	C4C	CHD	HHD	7.1°	90.0°
HAC1	CAC	HAC2	HAC3	120.0°	90.0°
NC	C4C	CHD	C1D	8.9°	90.0°
NC	C4C	CHD	HHD	171.2°	90.0°
C4C	CHD	C1D	HHD	180.0°	90.0°
C4C	CHD	C1D	C2D	173.9°	90.0°
CHD	C1D	C2D	CMD	1.9°	90.0°
CHD	C1D	C2D	C3D	178.9°	90.0°
HHD	CHD	C1D	C2D	6.1°	90.0°
C1D	C2D	CMD	C3D	178.9°	90.0°
C1D	C2D	CMD	HMD1	98.6°	90.0°
C1D	C2D	CMD	HMD2	21.4°	90.0°
C1D	C2D	CMD	HMD3	141.4°	90.0°
C1D	C2D	C3D	CAD	178.8°	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°
CMD	C2D	C3D	CAD	0.3°	90.0°
C3D	C2D	CMD	HMD1	80.3°	90.0°
C3D	C2D	CMD	HMD2	159.7°	90.0°
C3D	C2D	CMD	HMD3	39.7°	90.0°
C2D	C3D	CAD	CBD	102.6°	90.0°
C2D	C3D	CAD	HAD1	17.4°	90.0°
C2D	C3D	CAD	HAD2	136.7°	90.0°
HMD1	CMD	HMD2	HMD3	120.0°	90.0°
C3D	CAD	CBD	HAD1	120.0°	90.0°
C3D	CAD	CBD	HAD2	120.7°	90.0°
C3D	CAD	HAD1	HAD2	120.7°	90.0°
C3D	CAD	CBD	CGD	114.6°	90.0°
C3D	CAD	CBD	HBD1	125.3°	90.0°
C3D	CAD	CBD	HBD2	4.3°	90.0°
CBD	CAD	HAD1	HAD2	120.7°	90.0°
CAD	CBD	CGD	HBD1	120.0°	90.0°
CAD	CBD	CGD	HBD2	118.9°	90.0°
CAD	CBD	HBD1	HBD2	119.0°	90.0°
CAD	CBD	CGD	O1D	60.3°	90.0°
CAD	CBD	CGD	O2D	121.7°	90.0°
HAD1	CAD	CBD	CGD	5.4°	90.0°
HAD1	CAD	CBD	HBD1	114.7°	90.0°
HAD1	CAD	CBD	HBD2	124.3°	90.0°
HAD2	CAD	CBD	CGD	124.6°	90.0°
HAD2	CAD	CBD	HBD1	4.6°	90.0°
HAD2	CAD	CBD	HBD2	116.5°	90.0°
CGD	CBD	HBD1	HBD2	118.9°	90.0°
CBD	CGD	O1D	O2D	178.0°	90.0°
CBD	CGD	O2D	C41	89.7°	90.0°
HBD1	CBD	CGD	O1D	59.8°	90.0°
HBD1	CBD	CGD	O2D	118.3°	90.0°
HBD2	CBD	CGD	O1D	179.2°	90.0°
HBD2	CBD	CGD	O2D	2.7°	90.0°
O1D	CGD	O2D	C41	88.4°	90.0°
CGD	O2D	C41	H411	61.1°	90.0°
CGD	O2D	C41	H412	178.9°	90.0°
CGD	O2D	C41	H413	58.9°	90.0°
O2D	C41	H411	H412	120.0°	90.0°
O2D	C41	H411	H413	120.0°	90.0°
O2D	C41	H412	H413	120.0°	90.0°
H411	C41	H412	H413	120.0°	90.0°

Definition date:	2006-10-10
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2IN4