HAS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE	NA	sing	0.00Å	1.97Å
FE	NB	sing	0.00Å	1.97Å
FE	NC	sing	0.00Å	1.96Å
FE	ND	sing	0.00Å	1.96Å
CHA	C1A	doub	0.00Å	1.37Å
CHA	C4D	sing	0.00Å	1.37Å
CHA	HHA	sing	0.00Å	1.08Å
CHB	C1D	doub	0.00Å	1.38Å
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	1.38Å
CHC	HHC	sing	0.00Å	1.08Å
CHD	C4C	sing	0.00Å	1.38Å
CHD	C4A	doub	0.00Å	1.38Å
CHD	HHD	sing	0.00Å	1.08Å
NA	C1A	sing	0.00Å	1.38Å
NA	C4A	sing	0.00Å	1.38Å
C1A	C2A	sing	0.00Å	1.44Å
C2A	C3A	doub	0.00Å	1.35Å
C2A	CAA	sing	0.00Å	1.52Å
C3A	C4A	sing	0.00Å	1.45Å
C3A	CMA	sing	0.00Å	1.52Å
CMA	HMA1	sing	0.00Å	1.10Å
CMA	HMA2	sing	0.00Å	1.10Å
CMA	HMA3	sing	0.00Å	1.10Å
OMD	CMD	doub	0.00Å	1.21Å
CAA	CBA	sing	0.00Å	1.53Å
CAA	HAA1	sing	0.00Å	1.10Å
CAA	HAA2	sing	0.00Å	1.10Å
CBA	CGA	sing	0.00Å	1.52Å
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	1.25Å
O2A	H2A	sing	0.00Å	0.95Å
NB	C1B	doub	0.00Å	1.38Å
NB	C4B	sing	0.00Å	1.38Å
C1B	C2B	sing	0.00Å	1.45Å
C2B	C3B	doub	0.00Å	1.34Å
C2B	CMB	sing	0.00Å	1.52Å
C3B	C4B	sing	0.00Å	1.46Å
C3B	C11	sing	0.00Å	1.52Å
CMB	HMB1	sing	0.00Å	1.10Å
CMB	HMB2	sing	0.00Å	1.10Å
CMB	HMB3	sing	0.00Å	1.10Å
NC	C1C	sing	0.00Å	1.38Å	Aromatic
NC	C4C	sing	0.00Å	1.38Å	Aromatic
C1C	C2C	doub	0.00Å	1.44Å	Aromatic
C2C	C3C	sing	0.00Å	1.35Å	Aromatic
C2C	CMC	sing	0.00Å	1.52Å
C3C	C4C	doub	0.00Å	1.45Å	Aromatic
C3C	CAC	sing	0.00Å	1.39Å
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	1.40Å
CAC	HAC	sing	0.00Å	1.08Å
CBC	HBC1	sing	0.00Å	1.08Å
CBC	HBC2	sing	0.00Å	1.08Å
ND	C1D	sing	0.00Å	1.38Å
ND	C4D	doub	0.00Å	1.37Å
C1D	C2D	sing	0.00Å	1.45Å
C2D	C3D	doub	0.00Å	1.35Å
C2D	CMD	sing	0.00Å	1.46Å
C3D	C4D	sing	0.00Å	1.44Å
C3D	CAD	sing	0.00Å	1.52Å
CMD	HMD	sing	0.00Å	1.08Å
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	1.24Å
CGD	O2D	sing	0.00Å	1.24Å
O2D	H2D	sing	0.00Å	0.95Å
C11	O11	sing	0.00Å	1.43Å
C11	C12	sing	0.00Å	1.54Å
C11	H11	sing	0.00Å	1.10Å
O11	HO1	sing	0.00Å	0.95Å
C12	C13	sing	0.00Å	1.53Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C13	C14	sing	0.00Å	1.54Å
C13	H131	sing	0.00Å	1.10Å
C13	H132	sing	0.00Å	1.10Å
C14	C15	doub	0.00Å	1.40Å
C14	H14	sing	0.00Å	1.08Å
C15	C16	sing	0.00Å	1.52Å
C15	C26	sing	0.00Å	1.52Å
C16	C17	sing	0.00Å	1.52Å
C16	H161	sing	0.00Å	1.10Å
C16	H162	sing	0.00Å	1.10Å
C17	C18	sing	0.00Å	1.53Å
C17	H171	sing	0.00Å	1.10Å
C17	H172	sing	0.00Å	1.10Å
C18	C19	doub	0.00Å	1.40Å
C18	H18	sing	0.00Å	1.08Å
C19	C20	sing	0.00Å	1.52Å
C19	C27	sing	0.00Å	1.52Å
C20	C21	sing	0.00Å	1.53Å
C20	H201	sing	0.00Å	1.10Å
C20	H202	sing	0.00Å	1.10Å
C21	C22	sing	0.00Å	1.53Å
C21	H211	sing	0.00Å	1.10Å
C21	H212	sing	0.00Å	1.10Å
C22	C23	doub	0.00Å	1.40Å
C22	H22	sing	0.00Å	1.08Å
C23	C24	sing	0.00Å	1.52Å
C23	C25	sing	0.00Å	1.52Å
C24	C28	sing	0.00Å	1.51Å
C24	H241	sing	0.00Å	1.10Å
C24	H242	sing	0.00Å	1.10Å
C25	H251	sing	0.00Å	1.10Å
C25	H252	sing	0.00Å	1.10Å
C25	H253	sing	0.00Å	1.10Å
C26	H261	sing	0.00Å	1.10Å
C26	H262	sing	0.00Å	1.10Å
C26	H263	sing	0.00Å	1.10Å
C27	H271	sing	0.00Å	1.10Å
C27	H272	sing	0.00Å	1.10Å
C27	H273	sing	0.00Å	1.10Å
C28	C29	sing	0.00Å	1.53Å
C28	H281	sing	0.00Å	1.10Å
C28	H282	sing	0.00Å	1.10Å
C29	C30	doub	0.00Å	1.40Å
C29	H29	sing	0.00Å	1.08Å
C30	C31	sing	0.00Å	1.52Å
C30	C32	sing	0.00Å	1.52Å
C31	H311	sing	0.00Å	1.10Å
C31	H312	sing	0.00Å	1.10Å
C31	H313	sing	0.00Å	1.10Å
C32	H321	sing	0.00Å	1.10Å
C32	H322	sing	0.00Å	1.10Å
C32	H323	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NA	FE	NB	176.9°	90.0°
NA	FE	NC	90.1°	90.0°
NA	FE	ND	89.9°	90.0°
FE	NA	C1A	127.9°	90.0°
FE	NA	C4A	128.1°	90.0°
NB	FE	NC	89.8°	90.0°
NB	FE	ND	89.8°	90.0°
FE	NB	C1B	128.0°	90.0°
FE	NB	C4B	128.1°	90.0°
NC	FE	ND	172.8°	90.0°
FE	NC	C1C	127.9°	90.0°
FE	NC	C4C	128.0°	90.0°
FE	ND	C1D	128.2°	90.0°
FE	ND	C4D	127.8°	90.0°
C1A	CHA	C4D	125.2°	90.0°
C1A	CHA	HHA	117.4°	90.0°
CHA	C1A	NA	124.4°	90.0°
CHA	C1A	C2A	123.5°	90.0°
C4D	CHA	HHA	117.4°	90.0°
CHA	C4D	ND	124.6°	90.0°
CHA	C4D	C3D	123.7°	90.0°
C1D	CHB	C1B	125.3°	90.0°
C1D	CHB	HHB	117.3°	90.0°
CHB	C1D	ND	124.2°	90.0°
CHB	C1D	C2D	124.5°	90.0°
C1B	CHB	HHB	117.4°	90.0°
CHB	C1B	NB	124.4°	90.0°
CHB	C1B	C2B	124.1°	90.0°
C4B	CHC	C1C	125.3°	90.0°
C4B	CHC	HHC	117.3°	90.0°
CHC	C4B	NB	123.9°	90.0°
CHC	C4B	C3B	124.6°	90.0°
C1C	CHC	HHC	117.4°	90.0°
CHC	C1C	NC	124.6°	90.0°
CHC	C1C	C2C	123.9°	90.0°
C4C	CHD	C4A	125.2°	90.0°
C4C	CHD	HHD	117.4°	90.0°
CHD	C4C	NC	124.3°	90.0°
CHD	C4C	C3C	124.3°	90.0°
C4A	CHD	HHD	117.4°	90.0°
CHD	C4A	NA	124.2°	90.0°
CHD	C4A	C3A	124.6°	90.0°
C1A	NA	C4A	103.9°	90.0°
NA	C1A	C2A	111.9°	90.0°
NA	C4A	C3A	111.2°	90.0°
C1A	C2A	C3A	106.4°	90.0°
C1A	C2A	CAA	126.4°	90.0°
C3A	C2A	CAA	127.2°	90.0°
C2A	C3A	C4A	106.6°	90.0°
C2A	C3A	CMA	126.3°	90.0°
C2A	CAA	CBA	113.7°	90.0°
C2A	CAA	HAA1	108.4°	90.0°
C2A	CAA	HAA2	108.4°	90.0°
C4A	C3A	CMA	127.0°	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	109.4°	90.0°
OMD	CMD	C2D	125.3°	90.0°
OMD	CMD	HMD	117.3°	90.0°
CBA	CAA	HAA1	108.4°	90.0°
CBA	CAA	HAA2	108.4°	90.0°
CAA	CBA	CGA	112.1°	90.0°
CAA	CBA	HBA1	108.8°	90.0°
CAA	CBA	HBA2	108.8°	90.0°
HAA1	CAA	HAA2	109.5°	90.0°
CGA	CBA	HBA1	108.8°	90.0°
CGA	CBA	HBA2	108.8°	90.0°
CBA	CGA	O1A	118.4°	90.0°
CBA	CGA	O2A	119.3°	90.0°
HBA1	CBA	HBA2	109.5°	90.0°
O1A	CGA	O2A	122.3°	90.0°
CGA	O2A	H2A	109.5°	90.0°
C1B	NB	C4B	103.9°	90.0°
NB	C1B	C2B	111.5°	90.0°
NB	C4B	C3B	111.3°	90.0°
C1B	C2B	C3B	106.9°	90.0°
C1B	C2B	CMB	127.4°	90.0°
C3B	C2B	CMB	125.7°	90.0°
C2B	C3B	C4B	106.3°	90.0°
C2B	C3B	C11	124.7°	90.0°
C2B	CMB	HMB1	109.5°	90.0°
C2B	CMB	HMB2	109.5°	90.0°
C2B	CMB	HMB3	109.5°	90.0°
C4B	C3B	C11	128.9°	90.0°
C3B	C11	O11	111.0°	90.0°
C3B	C11	C12	113.0°	90.0°
C3B	C11	H11	107.1°	90.0°
HMB1	CMB	HMB2	109.5°	90.0°
HMB1	CMB	HMB3	109.4°	90.0°
HMB2	CMB	HMB3	109.5°	90.0°
C1C	NC	C4C	104.1°	90.0°
NC	C1C	C2C	111.5°	90.0°
NC	C4C	C3C	111.4°	90.0°
C1C	C2C	C3C	106.8°	90.0°
C1C	C2C	CMC	126.0°	90.0°
C3C	C2C	CMC	127.1°	90.0°
C2C	C3C	C4C	106.3°	90.0°
C2C	C3C	CAC	127.5°	90.0°
C2C	CMC	HMC1	109.5°	90.0°
C2C	CMC	HMC2	109.5°	90.0°
C2C	CMC	HMC3	109.5°	90.0°
C4C	C3C	CAC	126.2°	90.0°
C3C	CAC	CBC	123.5°	90.0°
C3C	CAC	HAC	118.3°	90.0°
HMC1	CMC	HMC2	109.5°	90.0°
HMC1	CMC	HMC3	109.5°	90.0°
HMC2	CMC	HMC3	109.5°	90.0°
CBC	CAC	HAC	118.2°	90.0°
CAC	CBC	HBC1	120.0°	90.0°
CAC	CBC	HBC2	120.0°	90.0°
HBC1	CBC	HBC2	120.0°	90.0°
C1D	ND	C4D	104.0°	90.0°
ND	C1D	C2D	111.3°	90.0°
ND	C4D	C3D	111.6°	90.0°
C1D	C2D	C3D	106.5°	90.0°
C1D	C2D	CMD	127.6°	90.0°
C3D	C2D	CMD	126.0°	90.0°
C2D	C3D	C4D	106.7°	90.0°
C2D	C3D	CAD	126.8°	90.0°
C2D	CMD	HMD	117.3°	90.0°
C4D	C3D	CAD	126.5°	90.0°
C3D	CAD	CBD	112.5°	90.0°
C3D	CAD	HAD1	108.7°	90.0°
C3D	CAD	HAD2	108.7°	90.0°
CBD	CAD	HAD1	108.7°	90.0°
CBD	CAD	HAD2	108.7°	90.0°
CAD	CBD	CGD	112.4°	90.0°
CAD	CBD	HBD1	108.7°	90.0°
CAD	CBD	HBD2	108.7°	90.0°
HAD1	CAD	HAD2	109.4°	90.0°
CGD	CBD	HBD1	108.8°	90.0°
CGD	CBD	HBD2	108.7°	90.0°
CBD	CGD	O1D	118.7°	90.0°
CBD	CGD	O2D	118.7°	90.0°
HBD1	CBD	HBD2	109.5°	90.0°
O1D	CGD	O2D	122.6°	90.0°
CGD	O2D	H2D	109.5°	90.0°
O11	C11	C12	110.5°	90.0°
O11	C11	H11	108.2°	90.0°
C11	O11	HO1	109.5°	90.0°
C12	C11	H11	106.9°	90.0°
C11	C12	C13	114.6°	90.0°
C11	C12	H121	108.2°	90.0°
C11	C12	H122	108.2°	90.0°
C13	C12	H121	108.2°	90.0°
C13	C12	H122	108.2°	90.0°
C12	C13	C14	113.8°	90.0°
C12	C13	H131	108.4°	90.0°
C12	C13	H132	108.3°	90.0°
H121	C12	H122	109.4°	90.0°
C14	C13	H131	108.4°	90.0°
C14	C13	H132	108.4°	90.0°
C13	C14	C15	123.6°	90.0°
C13	C14	H14	118.2°	90.0°
H131	C13	H132	109.5°	90.0°
C15	C14	H14	118.2°	90.0°
C14	C15	C16	120.2°	90.0°
C14	C15	C26	122.4°	90.0°
C16	C15	C26	117.3°	90.0°
C15	C16	C17	112.2°	90.0°
C15	C16	H161	108.8°	90.0°
C15	C16	H162	108.8°	90.0°
C15	C26	H261	109.5°	90.0°
C15	C26	H262	109.5°	90.0°
C15	C26	H263	109.5°	90.0°
C17	C16	H161	108.8°	90.0°
C17	C16	H162	108.8°	90.0°
C16	C17	C18	112.1°	90.0°
C16	C17	H171	108.8°	90.0°
C16	C17	H172	108.8°	90.0°
H161	C16	H162	109.5°	90.0°
C18	C17	H171	108.8°	90.0°
C18	C17	H172	108.8°	90.0°
C17	C18	C19	123.5°	90.0°
C17	C18	H18	118.3°	90.0°
H171	C17	H172	109.4°	90.0°
C19	C18	H18	118.2°	90.0°
C18	C19	C20	120.2°	90.0°
C18	C19	C27	121.9°	90.0°
C20	C19	C27	117.9°	90.0°
C19	C20	C21	112.1°	90.0°
C19	C20	H201	108.8°	90.0°
C19	C20	H202	108.8°	90.0°
C19	C27	H271	109.5°	90.0°
C19	C27	H272	109.4°	90.0°
C19	C27	H273	109.5°	90.0°
C21	C20	H201	108.8°	90.0°
C21	C20	H202	108.8°	90.0°
C20	C21	C22	112.3°	90.0°
C20	C21	H211	108.8°	90.0°
C20	C21	H212	108.8°	90.0°
H201	C20	H202	109.5°	90.0°
C22	C21	H211	108.7°	90.0°
C22	C21	H212	108.8°	90.0°
C21	C22	C23	122.1°	90.0°
C21	C22	H22	118.9°	90.0°
H211	C21	H212	109.5°	90.0°
C23	C22	H22	119.0°	90.0°
C22	C23	C24	120.2°	90.0°
C22	C23	C25	121.9°	90.0°
C24	C23	C25	117.8°	90.0°
C23	C24	C28	113.5°	90.0°
C23	C24	H241	108.5°	90.0°
C23	C24	H242	108.5°	90.0°
C23	C25	H251	109.5°	90.0°
C23	C25	H252	109.5°	90.0°
C23	C25	H253	109.5°	90.0°
C28	C24	H241	108.5°	90.0°
C28	C24	H242	108.4°	90.0°
C24	C28	C29	112.2°	90.0°
C24	C28	H281	108.8°	90.0°
C24	C28	H282	108.8°	90.0°
H241	C24	H242	109.5°	90.0°
H251	C25	H252	109.5°	90.0°
H251	C25	H253	109.5°	90.0°
H252	C25	H253	109.4°	90.0°
H261	C26	H262	109.4°	90.0°
H261	C26	H263	109.5°	90.0°
H262	C26	H263	109.5°	90.0°
H271	C27	H272	109.5°	90.0°
H271	C27	H273	109.4°	90.0°
H272	C27	H273	109.5°	90.0°
C29	C28	H281	108.8°	90.0°
C29	C28	H282	108.8°	90.0°
C28	C29	C30	123.9°	90.0°
C28	C29	H29	118.1°	90.0°
H281	C28	H282	109.5°	90.0°
C30	C29	H29	118.1°	90.0°
C29	C30	C31	121.2°	90.0°
C29	C30	C32	121.8°	90.0°
C31	C30	C32	117.0°	90.0°
C30	C31	H311	109.5°	90.0°
C30	C31	H312	109.5°	90.0°
C30	C31	H313	109.5°	90.0°
C30	C32	H321	109.5°	90.0°
C30	C32	H322	109.5°	90.0°
C30	C32	H323	109.5°	90.0°
H311	C31	H312	109.4°	90.0°
H311	C31	H313	109.4°	90.0°
H312	C31	H313	109.5°	90.0°
H321	C32	H322	109.5°	90.0°
H321	C32	H323	109.4°	90.0°
H322	C32	H323	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NA	FE	NB	NC	88.1°	90.0°
NA	FE	NB	ND	84.7°	90.0°
NA	FE	NC	ND	90.2°	90.0°
FE	NA	C1A	CHA	2.5°	90.0°
FE	NA	C4A	CHD	0.3°	90.0°
FE	NA	C1A	C4A	177.6°	90.0°
FE	NA	C1A	C2A	177.9°	90.0°
FE	NA	C4A	C3A	177.3°	90.0°
NA	FE	NB	C1B	85.8°	90.0°
NA	FE	NB	C4B	95.0°	90.0°
NA	FE	NC	C1C	179.6°	90.0°
NA	FE	NC	C4C	1.6°	90.0°
NA	FE	ND	C1D	175.2°	90.0°
NA	FE	ND	C4D	2.9°	90.0°
NB	FE	NC	ND	86.7°	90.0°
FE	NB	C1B	CHB	3.0°	90.0°
FE	NB	C4B	CHC	7.0°	90.0°
NB	FE	NA	C1A	88.2°	90.0°
NB	FE	NA	C4A	88.8°	90.0°
FE	NB	C1B	C4B	179.3°	90.0°
FE	NB	C1B	C2B	178.2°	90.0°
FE	NB	C4B	C3B	177.5°	90.0°
NB	FE	NC	C1C	3.5°	90.0°
NB	FE	NC	C4C	178.5°	90.0°
NB	FE	ND	C1D	1.8°	90.0°
NB	FE	ND	C4D	179.9°	90.0°
FE	NC	C1C	CHC	0.1°	90.0°
FE	NC	C4C	CHD	1.6°	90.0°
NC	FE	NA	C1A	176.3°	90.0°
NC	FE	NA	C4A	0.7°	90.0°
NC	FE	NB	C1B	174.0°	90.0°
NC	FE	NB	C4B	6.9°	90.0°
FE	NC	C1C	C4C	178.4°	90.0°
FE	NC	C1C	C2C	179.1°	90.0°
FE	NC	C4C	C3C	178.6°	90.0°
NC	FE	ND	C1D	85.0°	90.0°
NC	FE	ND	C4D	93.2°	90.0°
FE	ND	C4D	CHA	1.2°	90.0°
FE	ND	C1D	CHB	3.2°	90.0°
ND	FE	NA	C1A	3.6°	90.0°
ND	FE	NA	C4A	173.5°	90.0°
ND	FE	NB	C1B	1.2°	90.0°
ND	FE	NB	C4B	179.6°	90.0°
ND	FE	NC	C1C	90.2°	90.0°
ND	FE	NC	C4C	91.8°	90.0°
FE	ND	C1D	C4D	178.5°	90.0°
FE	ND	C1D	C2D	177.7°	90.0°
FE	ND	C4D	C3D	177.9°	90.0°
C1A	CHA	C4D	HHA	180.0°	90.0°
CHA	C1A	NA	C2A	175.4°	90.0°
CHA	C1A	NA	C4A	175.1°	90.0°
CHA	C1A	C2A	C3A	174.6°	90.0°
CHA	C1A	C2A	CAA	6.0°	90.0°
C1A	CHA	C4D	ND	1.3°	90.0°
C1A	CHA	C4D	C3D	175.0°	90.0°
C4D	CHA	C1A	NA	0.7°	90.0°
C4D	CHA	C1A	C2A	174.2°	90.0°
CHA	C4D	ND	C1D	177.3°	90.0°
CHA	C4D	ND	C3D	176.7°	90.0°
CHA	C4D	C3D	C2D	176.9°	90.0°
CHA	C4D	C3D	CAD	2.4°	90.0°
HHA	CHA	C1A	NA	179.3°	90.0°
HHA	CHA	C1A	C2A	5.8°	90.0°
HHA	CHA	C4D	ND	178.7°	90.0°
HHA	CHA	C4D	C3D	5.0°	90.0°
C1D	CHB	C1B	HHB	180.0°	90.0°
C1D	CHB	C1B	NB	1.8°	90.0°
C1D	CHB	C1B	C2B	179.5°	90.0°
CHB	C1D	ND	C2D	179.0°	90.0°
CHB	C1D	ND	C4D	178.3°	90.0°
CHB	C1D	C2D	C3D	178.3°	90.0°
CHB	C1D	C2D	CMD	2.0°	90.0°
CHB	C1B	NB	C2B	178.8°	90.0°
CHB	C1B	NB	C4B	177.7°	90.0°
CHB	C1B	C2B	C3B	178.8°	90.0°
CHB	C1B	C2B	CMB	0.0°	90.0°
C1B	CHB	C1D	ND	1.4°	90.0°
C1B	CHB	C1D	C2D	179.7°	90.0°
HHB	CHB	C1B	NB	178.2°	90.0°
HHB	CHB	C1B	C2B	0.5°	90.0°
HHB	CHB	C1D	ND	178.6°	90.0°
HHB	CHB	C1D	C2D	0.3°	90.0°
C4B	CHC	C1C	HHC	180.0°	90.0°
CHC	C4B	NB	C1B	173.6°	90.0°
CHC	C4B	NB	C3B	175.5°	90.0°
CHC	C4B	C3B	C2B	173.6°	90.0°
CHC	C4B	C3B	C11	9.8°	90.0°
C4B	CHC	C1C	NC	2.2°	90.0°
C4B	CHC	C1C	C2C	178.8°	90.0°
C1C	CHC	C4B	NB	1.4°	90.0°
C1C	CHC	C4B	C3B	176.3°	90.0°
CHC	C1C	NC	C2C	179.1°	90.0°
CHC	C1C	NC	C4C	178.3°	90.0°
CHC	C1C	C2C	C3C	178.1°	90.0°
CHC	C1C	C2C	CMC	4.5°	90.0°
HHC	CHC	C4B	NB	178.6°	90.0°
HHC	CHC	C4B	C3B	3.7°	90.0°
HHC	CHC	C1C	NC	177.8°	90.0°
HHC	CHC	C1C	C2C	1.2°	90.0°
C4C	CHD	C4A	HHD	180.0°	90.0°
C4C	CHD	C4A	NA	0.9°	90.0°
C4C	CHD	C4A	C3A	176.3°	90.0°
CHD	C4C	NC	C1C	179.9°	90.0°
CHD	C4C	NC	C3C	179.8°	90.0°
CHD	C4C	C3C	C2C	179.4°	90.0°
CHD	C4C	C3C	CAC	1.8°	90.0°
CHD	C4A	NA	C1A	177.9°	90.0°
CHD	C4A	NA	C3A	177.5°	90.0°
CHD	C4A	C3A	C2A	178.4°	90.0°
CHD	C4A	C3A	CMA	1.2°	90.0°
C4A	CHD	C4C	NC	0.1°	90.0°
C4A	CHD	C4C	C3C	179.9°	90.0°
HHD	CHD	C4A	NA	179.2°	90.0°
HHD	CHD	C4A	C3A	3.6°	90.0°
HHD	CHD	C4C	NC	179.9°	90.0°
HHD	CHD	C4C	C3C	0.1°	90.0°
NA	C1A	C2A	C3A	0.8°	90.0°
NA	C1A	C2A	CAA	178.6°	90.0°
C1A	NA	C4A	C3A	0.4°	90.0°
C4A	NA	C1A	C2A	0.3°	90.0°
NA	C4A	C3A	C2A	0.9°	90.0°
NA	C4A	C3A	CMA	176.3°	90.0°
C1A	C2A	C3A	CAA	179.4°	90.0°
C1A	C2A	C3A	C4A	1.0°	90.0°
C1A	C2A	C3A	CMA	176.2°	90.0°
C1A	C2A	CAA	CBA	99.8°	90.0°
C1A	C2A	CAA	HAA1	20.8°	90.0°
C1A	C2A	CAA	HAA2	139.5°	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	80.9°	90.0°
C3A	C2A	CAA	HAA1	158.5°	90.0°
C3A	C2A	CAA	HAA2	39.7°	90.0°
CAA	C2A	C3A	C4A	178.4°	90.0°
CAA	C2A	C3A	CMA	4.4°	90.0°
C2A	CAA	CBA	HAA1	120.6°	90.0°
C2A	CAA	CBA	HAA2	120.6°	90.0°
C2A	CAA	HAA1	HAA2	118.1°	90.0°
C2A	CAA	CBA	CGA	179.5°	90.0°
C2A	CAA	CBA	HBA1	59.1°	90.0°
C2A	CAA	CBA	HBA2	60.0°	90.0°
C4A	C3A	CMA	HMA1	3.4°	90.0°
C4A	C3A	CMA	HMA2	116.6°	90.0°
C4A	C3A	CMA	HMA3	123.4°	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°
OMD	CMD	C2D	C1D	28.7°	90.0°
OMD	CMD	C2D	C3D	150.9°	90.0°
OMD	CMD	C2D	HMD	180.0°	90.0°
CBA	CAA	HAA1	HAA2	118.1°	90.0°
CAA	CBA	CGA	HBA1	120.4°	90.0°
CAA	CBA	CGA	HBA2	120.4°	90.0°
CAA	CBA	HBA1	HBA2	118.7°	90.0°
CAA	CBA	CGA	O1A	86.3°	90.0°
CAA	CBA	CGA	O2A	92.0°	90.0°
HAA1	CAA	CBA	CGA	59.8°	90.0°
HAA1	CAA	CBA	HBA1	179.8°	90.0°
HAA1	CAA	CBA	HBA2	60.6°	90.0°
HAA2	CAA	CBA	CGA	58.9°	90.0°
HAA2	CAA	CBA	HBA1	61.5°	90.0°
HAA2	CAA	CBA	HBA2	179.3°	90.0°
CGA	CBA	HBA1	HBA2	118.8°	90.0°
CBA	CGA	O1A	O2A	178.2°	90.0°
CBA	CGA	O2A	H2A	178.2°	90.0°
HBA1	CBA	CGA	O1A	34.1°	90.0°
HBA1	CBA	CGA	O2A	147.6°	90.0°
HBA2	CBA	CGA	O1A	153.3°	90.0°
HBA2	CBA	CGA	O2A	28.4°	90.0°
O1A	CGA	O2A	H2A	0.0°	90.0°
NB	C1B	C2B	C3B	0.0°	90.0°
NB	C1B	C2B	CMB	178.9°	90.0°
C1B	NB	C4B	C3B	1.8°	90.0°
C4B	NB	C1B	C2B	1.2°	90.0°
NB	C4B	C3B	C2B	1.9°	90.0°
NB	C4B	C3B	C11	174.8°	90.0°
C1B	C2B	C3B	CMB	178.9°	90.0°
C1B	C2B	C3B	C4B	1.0°	90.0°
C1B	C2B	C3B	C11	175.8°	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	C11	176.7°	90.0°
C3B	C2B	CMB	HMB1	1.4°	90.0°
C3B	C2B	CMB	HMB2	121.4°	90.0°
C3B	C2B	CMB	HMB3	118.6°	90.0°
C2B	C3B	C11	O11	121.6°	90.0°
C2B	C3B	C11	C12	113.7°	90.0°
C2B	C3B	C11	H11	3.8°	90.0°
CMB	C2B	C3B	C4B	177.8°	90.0°
CMB	C2B	C3B	C11	5.4°	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	C11	O11	62.3°	90.0°
C4B	C3B	C11	C12	62.4°	90.0°
C4B	C3B	C11	H11	179.9°	90.0°
C3B	C11	O11	C12	126.1°	90.0°
C3B	C11	O11	H11	117.2°	90.0°
C3B	C11	C12	H11	117.5°	90.0°
C3B	C11	O11	HO1	180.0°	90.0°
C3B	C11	C12	C13	169.0°	90.0°
C3B	C11	C12	H121	70.2°	90.0°
C3B	C11	C12	H122	48.2°	90.0°
HMB1	CMB	HMB2	HMB3	120.0°	90.0°
NC	C1C	C2C	C3C	1.0°	90.0°
NC	C1C	C2C	CMC	176.4°	90.0°
C1C	NC	C4C	C3C	0.3°	90.0°
C4C	NC	C1C	C2C	0.8°	90.0°
NC	C4C	C3C	C2C	0.4°	90.0°
NC	C4C	C3C	CAC	178.4°	90.0°
C1C	C2C	C3C	CMC	177.4°	90.0°
C1C	C2C	C3C	C4C	0.8°	90.0°
C1C	C2C	C3C	CAC	177.9°	90.0°
C1C	C2C	CMC	HMC1	88.5°	90.0°
C1C	C2C	CMC	HMC2	151.5°	90.0°
C1C	C2C	CMC	HMC3	31.5°	90.0°
C2C	C3C	C4C	CAC	178.7°	90.0°
C3C	C2C	CMC	HMC1	88.4°	90.0°
C3C	C2C	CMC	HMC2	31.6°	90.0°
C3C	C2C	CMC	HMC3	151.6°	90.0°
C2C	C3C	CAC	CBC	22.1°	90.0°
C2C	C3C	CAC	HAC	157.9°	90.0°
CMC	C2C	C3C	C4C	176.6°	90.0°
CMC	C2C	C3C	CAC	4.7°	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°
C4C	C3C	CAC	CBC	159.4°	90.0°
C4C	C3C	CAC	HAC	20.6°	90.0°
C3C	CAC	CBC	HAC	180.0°	90.0°
C3C	CAC	CBC	HBC1	180.0°	90.0°
C3C	CAC	CBC	HBC2	0.0°	90.0°
HMC1	CMC	HMC2	HMC3	120.0°	90.0°
CAC	CBC	HBC1	HBC2	180.0°	90.0°
HAC	CAC	CBC	HBC1	0.0°	90.0°
HAC	CAC	CBC	HBC2	180.0°	90.0°
ND	C1D	C2D	C3D	0.7°	90.0°
ND	C1D	C2D	CMD	178.9°	90.0°
C1D	ND	C4D	C3D	0.5°	90.0°
C4D	ND	C1D	C2D	0.7°	90.0°
ND	C4D	C3D	C2D	0.1°	90.0°
ND	C4D	C3D	CAD	179.2°	90.0°
C1D	C2D	C3D	CMD	179.6°	90.0°
C1D	C2D	C3D	C4D	0.3°	90.0°
C1D	C2D	C3D	CAD	179.7°	90.0°
C1D	C2D	CMD	HMD	151.3°	90.0°
C2D	C3D	C4D	CAD	179.4°	90.0°
C3D	C2D	CMD	HMD	29.1°	90.0°
C2D	C3D	CAD	CBD	100.2°	90.0°
C2D	C3D	CAD	HAD1	139.4°	90.0°
C2D	C3D	CAD	HAD2	20.3°	90.0°
CMD	C2D	C3D	C4D	179.3°	90.0°
CMD	C2D	C3D	CAD	0.0°	90.0°
C4D	C3D	CAD	CBD	80.6°	90.0°
C4D	C3D	CAD	HAD1	39.9°	90.0°
C4D	C3D	CAD	HAD2	159.0°	90.0°
C3D	CAD	CBD	HAD1	120.5°	90.0°
C3D	CAD	CBD	HAD2	120.5°	90.0°
C3D	CAD	HAD1	HAD2	118.6°	90.0°
C3D	CAD	CBD	CGD	176.9°	90.0°
C3D	CAD	CBD	HBD1	62.6°	90.0°
C3D	CAD	CBD	HBD2	56.5°	90.0°
CBD	CAD	HAD1	HAD2	118.6°	90.0°
CAD	CBD	CGD	HBD1	120.5°	90.0°
CAD	CBD	CGD	HBD2	120.4°	90.0°
CAD	CBD	HBD1	HBD2	118.6°	90.0°
CAD	CBD	CGD	O1D	120.0°	90.0°
CAD	CBD	CGD	O2D	60.2°	90.0°
HAD1	CAD	CBD	CGD	56.4°	90.0°
HAD1	CAD	CBD	HBD1	176.9°	90.0°
HAD1	CAD	CBD	HBD2	64.0°	90.0°
HAD2	CAD	CBD	CGD	62.7°	90.0°
HAD2	CAD	CBD	HBD1	57.8°	90.0°
HAD2	CAD	CBD	HBD2	176.9°	90.0°
CGD	CBD	HBD1	HBD2	118.7°	90.0°
CBD	CGD	O1D	O2D	179.7°	90.0°
CBD	CGD	O2D	H2D	179.7°	90.0°
HBD1	CBD	CGD	O1D	0.4°	90.0°
HBD1	CBD	CGD	O2D	179.3°	90.0°
HBD2	CBD	CGD	O1D	119.5°	90.0°
HBD2	CBD	CGD	O2D	60.2°	90.0°
O1D	CGD	O2D	H2D	0.0°	90.0°
O11	C11	C12	H11	117.5°	90.0°
O11	C11	C12	C13	66.0°	90.0°
O11	C11	C12	H121	54.7°	90.0°
O11	C11	C12	H122	173.2°	90.0°
C12	C11	O11	HO1	53.9°	90.0°
C11	C12	C13	H121	120.8°	90.0°
C11	C12	C13	H122	120.8°	90.0°
C11	C12	H121	H122	117.7°	90.0°
C11	C12	C13	C14	173.5°	90.0°
C11	C12	C13	H131	65.9°	90.0°
C11	C12	C13	H132	52.8°	90.0°
H11	C11	O11	HO1	62.8°	90.0°
H11	C11	C12	C13	51.5°	90.0°
H11	C11	C12	H121	172.3°	90.0°
H11	C11	C12	H122	69.3°	90.0°
C13	C12	H121	H122	117.7°	90.0°
C12	C13	C14	H131	120.7°	90.0°
C12	C13	C14	H132	120.6°	90.0°
C12	C13	H131	H132	118.0°	90.0°
C12	C13	C14	C15	161.2°	90.0°
C12	C13	C14	H14	18.8°	90.0°
H121	C12	C13	C14	52.7°	90.0°
H121	C12	C13	H131	173.3°	90.0°
H121	C12	C13	H132	68.0°	90.0°
H122	C12	C13	C14	65.8°	90.0°
H122	C12	C13	H131	54.9°	90.0°
H122	C12	C13	H132	173.6°	90.0°
C14	C13	H131	H132	118.0°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C13	C14	C15	C16	179.9°	90.0°
C13	C14	C15	C26	1.1°	90.0°
H131	C13	C14	C15	40.5°	90.0°
H131	C13	C14	H14	139.4°	90.0°
H132	C13	C14	C15	78.2°	90.0°
H132	C13	C14	H14	101.8°	90.0°
C14	C15	C16	C26	178.9°	90.0°
C14	C15	C16	C17	112.3°	90.0°
C14	C15	C16	H161	8.1°	90.0°
C14	C15	C16	H162	127.3°	90.0°
C14	C15	C26	H261	180.0°	90.0°
C14	C15	C26	H262	60.0°	90.0°
C14	C15	C26	H263	60.0°	90.0°
H14	C14	C15	C16	0.1°	90.0°
H14	C14	C15	C26	178.9°	90.0°
C15	C16	C17	H161	120.4°	90.0°
C15	C16	C17	H162	120.4°	90.0°
C15	C16	H161	H162	118.8°	90.0°
C15	C16	C17	C18	167.9°	90.0°
C15	C16	C17	H171	71.6°	90.0°
C15	C16	C17	H172	47.5°	90.0°
C16	C15	C26	H261	1.1°	90.0°
C16	C15	C26	H262	118.9°	90.0°
C16	C15	C26	H263	121.1°	90.0°
C26	C15	C16	C17	68.8°	90.0°
C26	C15	C16	H161	170.8°	90.0°
C26	C15	C16	H162	51.6°	90.0°
C15	C26	H261	H262	120.0°	90.0°
C15	C26	H261	H263	120.0°	90.0°
C15	C26	H262	H263	120.0°	90.0°
C17	C16	H161	H162	118.8°	90.0°
C16	C17	C18	H171	120.4°	90.0°
C16	C17	C18	H172	120.4°	90.0°
C16	C17	H171	H172	118.8°	90.0°
C16	C17	C18	C19	157.1°	90.0°
C16	C17	C18	H18	22.9°	90.0°
H161	C16	C17	C18	47.6°	90.0°
H161	C16	C17	H171	168.0°	90.0°
H161	C16	C17	H172	72.9°	90.0°
H162	C16	C17	C18	71.7°	90.0°
H162	C16	C17	H171	48.8°	90.0°
H162	C16	C17	H172	167.9°	90.0°
C18	C17	H171	H172	118.8°	90.0°
C17	C18	C19	H18	180.0°	90.0°
C17	C18	C19	C20	179.7°	90.0°
C17	C18	C19	C27	2.1°	90.0°
H171	C17	C18	C19	82.4°	90.0°
H171	C17	C18	H18	97.5°	90.0°
H172	C17	C18	C19	36.7°	90.0°
H172	C17	C18	H18	143.3°	90.0°
C18	C19	C20	C27	177.7°	90.0°
C18	C19	C20	C21	115.6°	90.0°
C18	C19	C20	H201	124.1°	90.0°
C18	C19	C20	H202	4.8°	90.0°
C18	C19	C27	H271	180.0°	90.0°
C18	C19	C27	H272	60.0°	90.0°
C18	C19	C27	H273	60.0°	90.0°
H18	C18	C19	C20	0.3°	90.0°
H18	C18	C19	C27	177.9°	90.0°
C19	C20	C21	H201	120.4°	90.0°
C19	C20	C21	H202	120.4°	90.0°
C19	C20	H201	H202	118.8°	90.0°
C19	C20	C21	C22	163.2°	90.0°
C19	C20	C21	H211	76.4°	90.0°
C19	C20	C21	H212	42.8°	90.0°
C20	C19	C27	H271	2.3°	90.0°
C20	C19	C27	H272	122.4°	90.0°
C20	C19	C27	H273	117.6°	90.0°
C27	C19	C20	C21	66.8°	90.0°
C27	C19	C20	H201	53.6°	90.0°
C27	C19	C20	H202	172.9°	90.0°
C19	C27	H271	H272	120.0°	90.0°
C19	C27	H271	H273	120.0°	90.0°
C19	C27	H272	H273	120.0°	90.0°
C21	C20	H201	H202	118.8°	90.0°
C20	C21	C22	H211	120.4°	90.0°
C20	C21	C22	H212	120.4°	90.0°
C20	C21	H211	H212	118.7°	90.0°
C20	C21	C22	C23	146.3°	90.0°
C20	C21	C22	H22	33.7°	90.0°
H201	C20	C21	C22	42.9°	90.0°
H201	C20	C21	H211	163.3°	90.0°
H201	C20	C21	H212	77.6°	90.0°
H202	C20	C21	C22	76.4°	90.0°
H202	C20	C21	H211	44.0°	90.0°
H202	C20	C21	H212	163.2°	90.0°
C22	C21	H211	H212	118.7°	90.0°
C21	C22	C23	H22	180.0°	90.0°
C21	C22	C23	C24	179.0°	90.0°
C21	C22	C23	C25	1.2°	90.0°
H211	C21	C22	C23	93.3°	90.0°
H211	C21	C22	H22	86.7°	90.0°
H212	C21	C22	C23	25.9°	90.0°
H212	C21	C22	H22	154.1°	90.0°
C22	C23	C24	C25	177.9°	90.0°
C22	C23	C24	C28	89.2°	90.0°
C22	C23	C24	H241	150.2°	90.0°
C22	C23	C24	H242	31.4°	90.0°
C22	C23	C25	H251	180.0°	90.0°
C22	C23	C25	H252	60.0°	90.0°
C22	C23	C25	H253	60.0°	90.0°
H22	C22	C23	C24	1.0°	90.0°
H22	C22	C23	C25	178.9°	90.0°
C23	C24	C28	H241	120.6°	90.0°
C23	C24	C28	H242	120.6°	90.0°
C23	C24	H241	H242	118.2°	90.0°
C24	C23	C25	H251	2.1°	90.0°
C24	C23	C25	H252	122.1°	90.0°
C24	C23	C25	H253	117.9°	90.0°
C23	C24	C28	C29	173.5°	90.0°
C23	C24	C28	H281	53.1°	90.0°
C23	C24	C28	H282	66.1°	90.0°
C25	C23	C24	C28	92.9°	90.0°
C25	C23	C24	H241	27.7°	90.0°
C25	C23	C24	H242	146.5°	90.0°
C23	C25	H251	H252	120.0°	90.0°
C23	C25	H251	H253	120.0°	90.0°
C23	C25	H252	H253	120.0°	90.0°
C28	C24	H241	H242	118.2°	90.0°
C24	C28	C29	H281	120.4°	90.0°
C24	C28	C29	H282	120.4°	90.0°
C24	C28	H281	H282	118.8°	90.0°
C24	C28	C29	C30	179.2°	90.0°
C24	C28	C29	H29	0.8°	90.0°
H241	C24	C28	C29	65.9°	90.0°
H241	C24	C28	H281	173.7°	90.0°
H241	C24	C28	H282	54.5°	90.0°
H242	C24	C28	C29	52.9°	90.0°
H242	C24	C28	H281	67.5°	90.0°
H242	C24	C28	H282	173.3°	90.0°
H251	C25	H252	H253	120.0°	90.0°
H261	C26	H262	H263	120.0°	90.0°
H271	C27	H272	H273	120.0°	90.0°
C29	C28	H281	H282	118.8°	90.0°
C28	C29	C30	H29	180.0°	90.0°
C28	C29	C30	C31	179.8°	90.0°
C28	C29	C30	C32	0.3°	90.0°
H281	C28	C29	C30	58.8°	90.0°
H281	C28	C29	H29	121.2°	90.0°
H282	C28	C29	C30	60.4°	90.0°
H282	C28	C29	H29	119.6°	90.0°
C29	C30	C31	C32	179.9°	90.0°
C29	C30	C31	H311	180.0°	90.0°
C29	C30	C31	H312	60.0°	90.0°
C29	C30	C31	H313	60.0°	90.0°
C29	C30	C32	H321	180.0°	90.0°
C29	C30	C32	H322	60.0°	90.0°
C29	C30	C32	H323	60.0°	90.0°
H29	C29	C30	C31	0.2°	90.0°
H29	C29	C30	C32	179.7°	90.0°
C30	C31	H311	H312	120.0°	90.0°
C30	C31	H311	H313	120.0°	90.0°
C30	C31	H312	H313	120.0°	90.0°
C31	C30	C32	H321	0.1°	90.0°
C31	C30	C32	H322	120.1°	90.0°
C31	C30	C32	H323	119.9°	90.0°
C32	C30	C31	H311	0.1°	90.0°
C32	C30	C31	H312	119.9°	90.0°
C32	C30	C31	H313	120.1°	90.0°
C30	C32	H321	H322	120.0°	90.0°
C30	C32	H321	H323	120.0°	90.0°
C30	C32	H322	H323	120.0°	90.0°
H311	C31	H312	H313	120.0°	90.0°
H321	C32	H322	H323	120.0°	90.0°

Definition date:	2000-03-06
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1EHK