WRK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CMB	C2B	sing	0.00Å	1.50Å
CBB	CAB	doub	0.00Å	1.32Å
C2B	C3B	doub	0.00Å	1.37Å
C2B	C1B	sing	0.00Å	1.46Å
CAB	C3B	sing	0.00Å	1.46Å
CMA	C3A	sing	0.00Å	1.50Å
C3B	C4B	sing	0.00Å	1.43Å
O2A	CGA	doub	0.00Å	1.22Å
CHB	C1B	sing	0.00Å	1.37Å
CHB	C4A	doub	0.00Å	1.36Å
C1B	NB	doub	0.00Å	1.38Å
C3A	C4A	sing	0.00Å	1.42Å
C3A	C2A	doub	0.00Å	1.40Å
C4A	NA	sing	0.00Å	1.40Å
CBA	CGA	sing	0.00Å	1.51Å
CBA	CAA	sing	0.00Å	1.54Å
CGA	O1A	sing	0.00Å	1.30Å
C4B	NB	sing	0.00Å	1.35Å
C4B	CHC	doub	0.00Å	1.41Å
NB	FE	sing	0.00Å	2.03Å
C2A	CAA	sing	0.00Å	1.51Å
C2A	C1A	sing	0.00Å	1.44Å
CHC	C1C	sing	0.00Å	1.39Å
NA	FE	sing	0.00Å	2.13Å
NA	C1A	sing	0.00Å	1.37Å
FE	NC	sing	0.00Å	2.08Å
C1A	CHA	doub	0.00Å	1.40Å
C1C	NC	sing	0.00Å	1.38Å	Aromatic
C1C	C2C	doub	0.00Å	1.45Å	Aromatic
NC	C4C	sing	0.00Å	1.36Å	Aromatic
CHA	C4D	sing	0.00Å	1.33Å
CMC	C2C	sing	0.00Å	1.50Å
C2C	C3C	sing	0.00Å	1.39Å	Aromatic
O2D	CGD	doub	0.00Å	1.31Å
CBD	CGD	sing	0.00Å	1.50Å
CBD	CAD	sing	0.00Å	1.52Å
C4D	ND	doub	0.00Å	1.37Å
C4D	C3D	sing	0.00Å	1.45Å
CGD	O1D	sing	0.00Å	1.21Å
ND	C40	sing	0.00Å	1.45Å
ND	C1D	sing	0.00Å	1.38Å
C4C	C3C	doub	0.00Å	1.43Å	Aromatic
C4C	CHD	sing	0.00Å	1.42Å
C40	C41	sing	0.00Å	1.53Å
C3C	CAC	sing	0.00Å	1.47Å
C46	C45	doub	0.00Å	1.38Å	Aromatic
C46	C47	sing	0.00Å	1.38Å	Aromatic
C3D	CAD	sing	0.00Å	1.51Å
C3D	C2D	doub	0.00Å	1.38Å
C1D	CHD	doub	0.00Å	1.33Å
C1D	C2D	sing	0.00Å	1.48Å
C45	C44	sing	0.00Å	1.39Å	Aromatic
C2D	CMD	sing	0.00Å	1.50Å
C47	C48	doub	0.00Å	1.37Å	Aromatic
CAC	CBC	doub	0.00Å	1.31Å
C41	C43	sing	0.00Å	1.51Å
C41	O1	doub	0.00Å	1.21Å
C44	C43	sing	0.00Å	1.51Å
C44	C49	doub	0.00Å	1.39Å	Aromatic
C48	C49	sing	0.00Å	1.39Å	Aromatic
CHA	H1	sing	0.00Å	1.08Å
CHB	H2	sing	0.00Å	1.08Å
CHC	H3	sing	0.00Å	1.08Å
CHD	H4	sing	0.00Å	1.08Å
CMA	H5	sing	0.00Å	1.10Å
CMA	H6	sing	0.00Å	1.10Å
CMA	H7	sing	0.00Å	1.10Å
CAA	H8	sing	0.00Å	1.10Å
CAA	H9	sing	0.00Å	1.10Å
CBA	H10	sing	0.00Å	1.10Å
CBA	H11	sing	0.00Å	1.10Å
O1A	H12	sing	0.00Å	0.95Å
CMB	H13	sing	0.00Å	1.10Å
CMB	H14	sing	0.00Å	1.10Å
CMB	H15	sing	0.00Å	1.10Å
CAB	H16	sing	0.00Å	1.08Å
CBB	H17	sing	0.00Å	1.08Å
CBB	H18	sing	0.00Å	1.08Å
CMC	H19	sing	0.00Å	1.10Å
CMC	H20	sing	0.00Å	1.10Å
CMC	H21	sing	0.00Å	1.10Å
CAC	H22	sing	0.00Å	1.08Å
CBC	H23	sing	0.00Å	1.08Å
CBC	H24	sing	0.00Å	1.08Å
CMD	H25	sing	0.00Å	1.10Å
CMD	H26	sing	0.00Å	1.10Å
CMD	H27	sing	0.00Å	1.10Å
CAD	H28	sing	0.00Å	1.10Å
CAD	H29	sing	0.00Å	1.10Å
CBD	H30	sing	0.00Å	1.10Å
CBD	H31	sing	0.00Å	1.10Å
O1D	H32	sing	0.00Å	0.95Å
C40	H33	sing	0.00Å	1.10Å
C40	H34	sing	0.00Å	1.10Å
C43	H35	sing	0.00Å	1.10Å
C43	H36	sing	0.00Å	1.10Å
C45	H37	sing	0.00Å	1.08Å
C46	H38	sing	0.00Å	1.08Å
C47	H39	sing	0.00Å	1.08Å
C48	H40	sing	0.00Å	1.08Å
C49	H41	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CMB	C2B	C3B	129.6°	90.0°
CMB	C2B	C1B	125.5°	90.0°
C2B	CMB	H13	109.5°	90.0°
C2B	CMB	H14	109.4°	90.0°
C2B	CMB	H15	109.5°	90.0°
CBB	CAB	C3B	126.0°	90.0°
CBB	CAB	H16	117.0°	90.0°
CAB	CBB	H17	120.0°	90.0°
CAB	CBB	H18	120.0°	90.0°
C3B	C2B	C1B	104.9°	90.0°
C2B	C3B	CAB	128.3°	90.0°
C2B	C3B	C4B	107.6°	90.0°
C2B	C1B	CHB	126.5°	90.0°
C2B	C1B	NB	110.5°	90.0°
CAB	C3B	C4B	124.1°	90.0°
C3B	CAB	H16	117.0°	90.0°
CMA	C3A	C4A	126.3°	90.0°
CMA	C3A	C2A	126.8°	90.0°
C3A	CMA	H5	109.5°	90.0°
C3A	CMA	H6	109.5°	90.0°
C3A	CMA	H7	109.4°	90.0°
C3B	C4B	NB	111.0°	90.0°
C3B	C4B	CHC	124.6°	90.0°
O2A	CGA	CBA	123.3°	90.0°
O2A	CGA	O1A	123.0°	90.0°
C1B	CHB	C4A	132.8°	90.0°
CHB	C1B	NB	122.9°	90.0°
C1B	CHB	H2	113.6°	90.0°
CHB	C4A	C3A	128.6°	90.0°
CHB	C4A	NA	121.7°	90.0°
C4A	CHB	H2	113.6°	90.0°
C1B	NB	C4B	106.0°	90.0°
C1B	NB	FE	124.8°	90.0°
C4A	C3A	C2A	106.9°	90.0°
C3A	C4A	NA	109.6°	90.0°
C3A	C2A	CAA	127.3°	90.0°
C3A	C2A	C1A	107.2°	90.0°
C4A	NA	FE	123.1°	90.0°
C4A	NA	C1A	107.3°	90.0°
CGA	CBA	CAA	113.9°	90.0°
CBA	CGA	O1A	113.6°	90.0°
CGA	CBA	H10	108.4°	90.0°
CGA	CBA	H11	108.4°	90.0°
CBA	CAA	C2A	112.5°	90.0°
CBA	CAA	H8	108.7°	90.0°
CBA	CAA	H9	108.7°	90.0°
CAA	CBA	H10	108.4°	90.0°
CAA	CBA	H11	108.4°	90.0°
CGA	O1A	H12	109.5°	90.0°
NB	C4B	CHC	124.3°	90.0°
C4B	NB	FE	127.3°	90.0°
C4B	CHC	C1C	125.7°	90.0°
C4B	CHC	H3	117.1°	90.0°
NB	FE	NA	89.4°	90.0°
NB	FE	NC	88.5°	90.0°
CAA	C2A	C1A	125.4°	90.0°
C2A	CAA	H8	108.7°	90.0°
C2A	CAA	H9	108.7°	90.0°
C2A	C1A	NA	109.0°	90.0°
C2A	C1A	CHA	126.2°	90.0°
CHC	C1C	NC	125.5°	90.0°
CHC	C1C	C2C	124.3°	90.0°
C1C	CHC	H3	117.2°	90.0°
FE	NA	C1A	127.0°	90.0°
NA	FE	NC	152.8°	90.0°
NA	C1A	CHA	124.6°	90.0°
FE	NC	C1C	124.6°	90.0°
FE	NC	C4C	128.4°	90.0°
C1A	CHA	C4D	127.5°	90.0°
C1A	CHA	H1	116.2°	90.0°
NC	C1C	C2C	110.2°	90.0°
C1C	NC	C4C	106.4°	90.0°
C1C	C2C	CMC	125.3°	90.0°
C1C	C2C	C3C	105.1°	90.0°
NC	C4C	C3C	110.7°	90.0°
NC	C4C	CHD	125.3°	90.0°
CHA	C4D	ND	131.3°	90.0°
CHA	C4D	C3D	124.1°	90.0°
C4D	CHA	H1	116.2°	90.0°
CMC	C2C	C3C	129.7°	90.0°
C2C	CMC	H19	109.5°	90.0°
C2C	CMC	H20	109.5°	90.0°
C2C	CMC	H21	109.5°	90.0°
C2C	C3C	C4C	107.6°	90.0°
C2C	C3C	CAC	129.6°	90.0°
O2D	CGD	CBD	113.7°	90.0°
O2D	CGD	O1D	123.2°	90.0°
CGD	CBD	CAD	113.4°	90.0°
CBD	CGD	O1D	123.1°	90.0°
CGD	CBD	H30	108.5°	90.0°
CGD	CBD	H31	108.5°	90.0°
CBD	CAD	C3D	113.5°	90.0°
CBD	CAD	H28	108.5°	90.0°
CBD	CAD	H29	108.5°	90.0°
CAD	CBD	H30	108.5°	90.0°
CAD	CBD	H31	108.5°	90.0°
ND	C4D	C3D	104.2°	90.0°
C4D	ND	C40	118.1°	90.0°
C4D	ND	C1D	115.0°	90.0°
C4D	C3D	CAD	125.1°	90.0°
C4D	C3D	C2D	108.8°	90.0°
CGD	O1D	H32	109.5°	90.0°
C40	ND	C1D	118.5°	90.0°
ND	C40	C41	112.2°	90.0°
ND	C40	H33	108.8°	90.0°
ND	C40	H34	108.8°	90.0°
ND	C1D	CHD	130.1°	90.0°
ND	C1D	C2D	102.4°	90.0°
C3C	C4C	CHD	124.0°	90.0°
C4C	C3C	CAC	122.8°	90.0°
C4C	CHD	C1D	126.3°	90.0°
C4C	CHD	H4	116.9°	90.0°
C40	C41	C43	116.5°	90.0°
C40	C41	O1	122.4°	90.0°
C41	C40	H33	108.8°	90.0°
C41	C40	H34	108.8°	90.0°
C3C	CAC	CBC	129.1°	90.0°
C3C	CAC	H22	115.5°	90.0°
C45	C46	C47	120.3°	90.0°
C46	C45	C44	120.7°	90.0°
C46	C45	H37	119.7°	90.0°
C45	C46	H38	119.8°	90.0°
C46	C47	C48	119.7°	90.0°
C47	C46	H38	119.8°	90.0°
C46	C47	H39	120.2°	90.0°
CAD	C3D	C2D	126.1°	90.0°
C3D	CAD	H28	108.5°	90.0°
C3D	CAD	H29	108.5°	90.0°
C3D	C2D	C1D	108.5°	90.0°
C3D	C2D	CMD	126.5°	90.0°
CHD	C1D	C2D	127.5°	90.0°
C1D	CHD	H4	116.8°	90.0°
C1D	C2D	CMD	124.8°	90.0°
C45	C44	C43	120.7°	90.0°
C45	C44	C49	118.3°	90.0°
C44	C45	H37	119.7°	90.0°
C2D	CMD	H25	109.5°	90.0°
C2D	CMD	H26	109.5°	90.0°
C2D	CMD	H27	109.5°	90.0°
C47	C48	C49	120.2°	90.0°
C48	C47	H39	120.1°	90.0°
C47	C48	H40	119.9°	90.0°
CBC	CAC	H22	115.5°	90.0°
CAC	CBC	H23	120.0°	90.0°
CAC	CBC	H24	120.0°	90.0°
C43	C41	O1	121.1°	90.0°
C41	C43	C44	108.9°	90.0°
C41	C43	H35	109.6°	90.0°
C41	C43	H36	109.6°	90.0°
C43	C44	C49	120.8°	90.0°
C44	C43	H35	109.6°	90.0°
C44	C43	H36	109.6°	90.0°
C44	C49	C48	120.7°	90.0°
C44	C49	H41	119.6°	90.0°
C49	C48	H40	119.9°	90.0°
C48	C49	H41	119.6°	90.0°
H5	CMA	H6	109.5°	90.0°
H5	CMA	H7	109.4°	90.0°
H6	CMA	H7	109.5°	90.0°
H8	CAA	H9	109.5°	90.0°
H10	CBA	H11	109.5°	90.0°
H13	CMB	H14	109.5°	90.0°
H13	CMB	H15	109.5°	90.0°
H14	CMB	H15	109.4°	90.0°
H17	CBB	H18	120.0°	90.0°
H19	CMC	H20	109.5°	90.0°
H19	CMC	H21	109.5°	90.0°
H20	CMC	H21	109.5°	90.0°
H23	CBC	H24	120.0°	90.0°
H25	CMD	H26	109.5°	90.0°
H25	CMD	H27	109.4°	90.0°
H26	CMD	H27	109.5°	90.0°
H28	CAD	H29	109.4°	90.0°
H30	CBD	H31	109.5°	90.0°
H33	C40	H34	109.5°	90.0°
H35	C43	H36	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CMB	C2B	C3B	C1B	177.9°	90.0°
CMB	C2B	C3B	CAB	2.0°	90.0°
CMB	C2B	C3B	C4B	177.6°	90.0°
CMB	C2B	C1B	CHB	5.6°	90.0°
CMB	C2B	C1B	NB	177.9°	90.0°
C2B	CMB	H13	H14	120.0°	90.0°
C2B	CMB	H13	H15	120.0°	90.0°
C2B	CMB	H14	H15	120.0°	90.0°
CBB	CAB	C3B	C2B	38.4°	90.0°
CBB	CAB	C3B	H16	180.0°	90.0°
CBB	CAB	C3B	C4B	142.1°	90.0°
CAB	CBB	H17	H18	179.9°	90.0°
C2B	C3B	CAB	C4B	179.5°	90.0°
C3B	C2B	C1B	CHB	176.4°	90.0°
C3B	C2B	C1B	NB	0.1°	90.0°
C2B	C3B	C4B	NB	0.4°	90.0°
C2B	C3B	C4B	CHC	179.8°	90.0°
C3B	C2B	CMB	H13	180.0°	90.0°
C3B	C2B	CMB	H14	60.0°	90.0°
C3B	C2B	CMB	H15	60.0°	90.0°
C2B	C3B	CAB	H16	141.6°	90.0°
C1B	C2B	C3B	CAB	179.9°	90.0°
C1B	C2B	C3B	C4B	0.3°	90.0°
C2B	C1B	CHB	NB	176.1°	90.0°
C2B	C1B	CHB	C4A	175.5°	90.0°
C2B	C1B	NB	C4B	0.2°	90.0°
C2B	C1B	NB	FE	165.6°	90.0°
C2B	C1B	CHB	H2	4.5°	90.0°
C1B	C2B	CMB	H13	2.5°	90.0°
C1B	C2B	CMB	H14	117.5°	90.0°
C1B	C2B	CMB	H15	122.5°	90.0°
CAB	C3B	C4B	NB	180.0°	90.0°
CAB	C3B	C4B	CHC	0.2°	90.0°
C3B	CAB	CBB	H17	180.0°	90.0°
C3B	CAB	CBB	H18	0.0°	90.0°
CMA	C3A	C4A	CHB	5.0°	90.0°
CMA	C3A	C4A	C2A	179.5°	90.0°
CMA	C3A	C4A	NA	178.0°	90.0°
CMA	C3A	C2A	CAA	3.0°	90.0°
CMA	C3A	C2A	C1A	178.6°	90.0°
C3A	CMA	H5	H6	120.0°	90.0°
C3A	CMA	H5	H7	120.0°	90.0°
C3A	CMA	H6	H7	120.0°	90.0°
C3B	C4B	NB	C1B	0.4°	90.0°
C3B	C4B	NB	CHC	179.7°	90.0°
C3B	C4B	NB	FE	165.3°	90.0°
C3B	C4B	CHC	C1C	176.3°	90.0°
C3B	C4B	CHC	H3	3.7°	90.0°
C4B	C3B	CAB	H16	37.9°	90.0°
O2A	CGA	CBA	O1A	179.7°	90.0°
O2A	CGA	CBA	CAA	116.7°	90.0°
O2A	CGA	CBA	H10	122.7°	90.0°
O2A	CGA	CBA	H11	4.0°	90.0°
O2A	CGA	O1A	H12	0.0°	90.0°
C1B	CHB	C4A	H2	180.0°	90.0°
C1B	CHB	C4A	C3A	179.1°	90.0°
C1B	CHB	C4A	NA	2.4°	90.0°
CHB	C1B	NB	C4B	176.8°	90.0°
CHB	C1B	NB	FE	17.8°	90.0°
C4A	CHB	C1B	NB	0.6°	90.0°
CHB	C4A	C3A	NA	177.0°	90.0°
CHB	C4A	C3A	C2A	175.5°	90.0°
CHB	C4A	NA	FE	13.2°	90.0°
CHB	C4A	NA	C1A	175.8°	90.0°
C1B	NB	C4B	FE	164.9°	90.0°
C1B	NB	C4B	CHC	179.9°	90.0°
C1B	NB	FE	NA	23.8°	90.0°
C1B	NB	FE	NC	176.6°	90.0°
NB	C1B	CHB	H2	179.4°	90.0°
C4A	C3A	C2A	CAA	177.5°	90.0°
C4A	C3A	C2A	C1A	0.9°	90.0°
C3A	C4A	NA	FE	164.0°	90.0°
C3A	C4A	NA	C1A	1.4°	90.0°
C3A	C4A	CHB	H2	0.9°	90.0°
C4A	C3A	CMA	H5	180.0°	90.0°
C4A	C3A	CMA	H6	60.0°	90.0°
C4A	C3A	CMA	H7	60.0°	90.0°
C2A	C3A	C4A	NA	1.4°	90.0°
C3A	C2A	CAA	CBA	73.2°	90.0°
C3A	C2A	CAA	C1A	178.1°	90.0°
C3A	C2A	C1A	NA	0.0°	90.0°
C3A	C2A	C1A	CHA	174.6°	90.0°
C2A	C3A	CMA	H5	0.6°	90.0°
C2A	C3A	CMA	H6	120.6°	90.0°
C2A	C3A	CMA	H7	119.4°	90.0°
C3A	C2A	CAA	H8	166.4°	90.0°
C3A	C2A	CAA	H9	47.3°	90.0°
C4A	NA	FE	NB	21.6°	90.0°
C4A	NA	C1A	C2A	0.9°	90.0°
C4A	NA	FE	C1A	159.0°	90.0°
C4A	NA	FE	NC	107.1°	90.0°
C4A	NA	C1A	CHA	173.9°	90.0°
NA	C4A	CHB	H2	177.6°	90.0°
CGA	CBA	CAA	H10	120.7°	90.0°
CGA	CBA	CAA	H11	120.7°	90.0°
CGA	CBA	CAA	C2A	55.8°	90.0°
CGA	CBA	CAA	H8	64.7°	90.0°
CGA	CBA	CAA	H9	176.2°	90.0°
CGA	CBA	H10	H11	118.0°	90.0°
CBA	CGA	O1A	H12	179.7°	90.0°
CAA	CBA	CGA	O1A	63.1°	90.0°
CBA	CAA	C2A	H8	120.5°	90.0°
CBA	CAA	C2A	H9	120.4°	90.0°
CBA	CAA	C2A	C1A	105.0°	90.0°
CBA	CAA	H8	H9	118.6°	90.0°
CAA	CBA	H10	H11	118.0°	90.0°
O1A	CGA	CBA	H10	57.6°	90.0°
O1A	CGA	CBA	H11	176.3°	90.0°
NB	C4B	CHC	C1C	3.4°	90.0°
C4B	NB	FE	NA	174.0°	90.0°
C4B	NB	FE	NC	21.1°	90.0°
NB	C4B	CHC	H3	176.6°	90.0°
CHC	C4B	NB	FE	15.0°	90.0°
C4B	CHC	C1C	H3	180.0°	90.0°
C4B	CHC	C1C	NC	6.7°	90.0°
C4B	CHC	C1C	C2C	173.8°	90.0°
NB	FE	NA	NC	85.5°	90.0°
NB	FE	NA	C1A	179.4°	90.0°
NB	FE	NC	C1C	17.4°	90.0°
NB	FE	NC	C4C	173.4°	90.0°
CAA	C2A	C1A	NA	178.4°	90.0°
CAA	C2A	C1A	CHA	3.8°	90.0°
C2A	CAA	H8	H9	118.6°	90.0°
C2A	CAA	CBA	H10	176.4°	90.0°
C2A	CAA	CBA	H11	64.9°	90.0°
C2A	C1A	NA	FE	162.6°	90.0°
C2A	C1A	NA	CHA	174.7°	90.0°
C2A	C1A	CHA	C4D	176.9°	90.0°
C2A	C1A	CHA	H1	3.1°	90.0°
C1A	C2A	CAA	H8	15.5°	90.0°
C1A	C2A	CAA	H9	134.6°	90.0°
CHC	C1C	NC	FE	8.0°	90.0°
CHC	C1C	NC	C2C	179.6°	90.0°
CHC	C1C	NC	C4C	179.2°	90.0°
CHC	C1C	C2C	CMC	0.2°	90.0°
CHC	C1C	C2C	C3C	179.8°	90.0°
FE	NA	C1A	CHA	12.2°	90.0°
NA	FE	NC	C1C	103.2°	90.0°
NA	FE	NC	C4C	87.7°	90.0°
C1A	NA	FE	NC	93.9°	90.0°
NA	C1A	CHA	C4D	9.3°	90.0°
NA	C1A	CHA	H1	170.8°	90.0°
FE	NC	C1C	C4C	171.1°	90.0°
FE	NC	C1C	C2C	171.5°	90.0°
FE	NC	C4C	C3C	171.5°	90.0°
FE	NC	C4C	CHD	8.6°	90.0°
C1A	CHA	C4D	H1	180.0°	90.0°
C1A	CHA	C4D	ND	15.6°	90.0°
C1A	CHA	C4D	C3D	156.2°	90.0°
NC	C1C	C2C	CMC	179.8°	90.0°
NC	C1C	C2C	C3C	0.2°	90.0°
C1C	NC	C4C	C3C	0.8°	90.0°
C1C	NC	C4C	CHD	179.3°	90.0°
NC	C1C	CHC	H3	173.3°	90.0°
C2C	C1C	NC	C4C	0.4°	90.0°
C1C	C2C	CMC	C3C	180.0°	90.0°
C1C	C2C	C3C	C4C	0.7°	90.0°
C1C	C2C	C3C	CAC	178.3°	90.0°
C2C	C1C	CHC	H3	6.2°	90.0°
C1C	C2C	CMC	H19	90.0°	90.0°
C1C	C2C	CMC	H20	150.0°	90.0°
C1C	C2C	CMC	H21	30.0°	90.0°
NC	C4C	C3C	C2C	1.0°	90.0°
NC	C4C	C3C	CHD	179.8°	90.0°
NC	C4C	C3C	CAC	178.1°	90.0°
NC	C4C	CHD	C1D	2.9°	90.0°
NC	C4C	CHD	H4	177.1°	90.0°
CHA	C4D	ND	C3D	173.0°	90.0°
CHA	C4D	ND	C40	48.8°	90.0°
CHA	C4D	ND	C1D	163.4°	90.0°
CHA	C4D	C3D	CAD	7.2°	90.0°
CHA	C4D	C3D	C2D	169.5°	90.0°
CMC	C2C	C3C	C4C	179.3°	90.0°
CMC	C2C	C3C	CAC	1.7°	90.0°
C2C	CMC	H19	H20	120.0°	90.0°
C2C	CMC	H19	H21	120.0°	90.0°
C2C	CMC	H20	H21	120.0°	90.0°
C2C	C3C	C4C	CAC	179.1°	90.0°
C2C	C3C	C4C	CHD	179.2°	90.0°
C2C	C3C	CAC	CBC	1.5°	90.0°
C3C	C2C	CMC	H19	90.0°	90.0°
C3C	C2C	CMC	H20	30.0°	90.0°
C3C	C2C	CMC	H21	150.0°	90.0°
C2C	C3C	CAC	H22	178.5°	90.0°
O2D	CGD	CBD	O1D	179.4°	90.0°
O2D	CGD	CBD	CAD	97.3°	90.0°
O2D	CGD	CBD	H30	142.1°	90.0°
O2D	CGD	CBD	H31	23.2°	90.0°
O2D	CGD	O1D	H32	0.0°	90.0°
CGD	CBD	CAD	H30	120.6°	90.0°
CGD	CBD	CAD	H31	120.6°	90.0°
CGD	CBD	CAD	C3D	89.9°	90.0°
CGD	CBD	CAD	H28	30.7°	90.0°
CGD	CBD	CAD	H29	149.5°	90.0°
CGD	CBD	H30	H31	118.2°	90.0°
CBD	CGD	O1D	H32	179.4°	90.0°
CBD	CAD	C3D	C4D	88.9°	90.0°
CAD	CBD	CGD	O1D	82.1°	90.0°
CBD	CAD	C3D	H28	120.6°	90.0°
CBD	CAD	C3D	H29	120.6°	90.0°
CBD	CAD	C3D	C2D	87.3°	90.0°
CBD	CAD	H28	H29	118.2°	90.0°
CAD	CBD	H30	H31	118.2°	90.0°
C4D	ND	C40	C1D	146.7°	90.0°
C4D	ND	C40	C41	73.1°	90.0°
ND	C4D	C3D	CAD	179.2°	90.0°
ND	C4D	C3D	C2D	4.1°	90.0°
C4D	ND	C1D	CHD	169.2°	90.0°
C4D	ND	C1D	C2D	10.6°	90.0°
ND	C4D	CHA	H1	164.4°	90.0°
C4D	ND	C40	H33	47.4°	90.0°
C4D	ND	C40	H34	166.5°	90.0°
C3D	C4D	ND	C40	138.3°	90.0°
C3D	C4D	ND	C1D	9.6°	90.0°
C4D	C3D	CAD	C2D	176.2°	90.0°
C4D	C3D	C2D	C1D	2.0°	90.0°
C4D	C3D	C2D	CMD	176.9°	90.0°
C3D	C4D	CHA	H1	23.8°	90.0°
C4D	C3D	CAD	H28	150.5°	90.0°
C4D	C3D	CAD	H29	31.7°	90.0°
O1D	CGD	CBD	H30	38.5°	90.0°
O1D	CGD	CBD	H31	157.3°	90.0°
ND	C40	C41	H33	120.4°	90.0°
ND	C40	C41	H34	120.4°	90.0°
C40	ND	C1D	CHD	43.1°	90.0°
C40	ND	C1D	C2D	137.1°	90.0°
ND	C40	C41	C43	168.6°	90.0°
ND	C40	C41	O1	10.3°	90.0°
ND	C40	H33	H34	118.7°	90.0°
ND	C1D	CHD	C4C	27.5°	90.0°
C1D	ND	C40	C41	73.6°	90.0°
ND	C1D	C2D	C3D	7.2°	90.0°
ND	C1D	CHD	C2D	179.8°	90.0°
ND	C1D	C2D	CMD	177.8°	90.0°
ND	C1D	CHD	H4	152.5°	90.0°
C1D	ND	C40	H33	165.9°	90.0°
C1D	ND	C40	H34	46.8°	90.0°
C3C	C4C	CHD	C1D	176.9°	90.0°
C4C	C3C	CAC	CBC	177.4°	90.0°
C3C	C4C	CHD	H4	3.1°	90.0°
C4C	C3C	CAC	H22	2.6°	90.0°
CHD	C4C	C3C	CAC	1.7°	90.0°
C4C	CHD	C1D	H4	180.0°	90.0°
C4C	CHD	C1D	C2D	152.2°	90.0°
C40	C41	C43	O1	179.0°	90.0°
C40	C41	C43	C44	48.9°	90.0°
C41	C40	H33	H34	118.8°	90.0°
C40	C41	C43	H35	168.9°	90.0°
C40	C41	C43	H36	71.0°	90.0°
C3C	CAC	CBC	H22	180.0°	90.0°
C3C	CAC	CBC	H23	180.0°	90.0°
C3C	CAC	CBC	H24	0.0°	90.0°
C45	C46	C47	H38	180.0°	90.0°
C46	C45	C44	H37	180.0°	90.0°
C45	C46	C47	C48	0.5°	90.0°
C46	C45	C44	C43	173.9°	90.0°
C46	C45	C44	C49	1.6°	90.0°
C45	C46	C47	H39	179.5°	90.0°
C47	C46	C45	C44	0.7°	90.0°
C46	C47	C48	H39	180.0°	90.0°
C46	C47	C48	C49	0.7°	90.0°
C47	C46	C45	H37	179.3°	90.0°
C46	C47	C48	H40	179.3°	90.0°
CAD	C3D	C2D	C1D	174.7°	90.0°
CAD	C3D	C2D	CMD	0.2°	90.0°
C3D	CAD	H28	H29	118.2°	90.0°
C3D	CAD	CBD	H30	149.5°	90.0°
C3D	CAD	CBD	H31	30.6°	90.0°
C3D	C2D	C1D	CHD	172.6°	90.0°
C3D	C2D	C1D	CMD	174.9°	90.0°
C3D	C2D	CMD	H25	180.0°	90.0°
C3D	C2D	CMD	H26	60.0°	90.0°
C3D	C2D	CMD	H27	60.0°	90.0°
C2D	C3D	CAD	H28	33.3°	90.0°
C2D	C3D	CAD	H29	152.1°	90.0°
CHD	C1D	C2D	CMD	2.4°	90.0°
C2D	C1D	CHD	H4	27.8°	90.0°
C1D	C2D	CMD	H25	6.0°	90.0°
C1D	C2D	CMD	H26	114.1°	90.0°
C1D	C2D	CMD	H27	126.0°	90.0°
C45	C44	C43	C41	101.3°	90.0°
C45	C44	C43	C49	175.4°	90.0°
C45	C44	C49	C48	1.4°	90.0°
C45	C44	C43	H35	138.8°	90.0°
C45	C44	C43	H36	18.6°	90.0°
C44	C45	C46	H38	179.3°	90.0°
C45	C44	C49	H41	178.6°	90.0°
C2D	CMD	H25	H26	120.0°	90.0°
C2D	CMD	H25	H27	120.0°	90.0°
C2D	CMD	H26	H27	120.0°	90.0°
C47	C48	C49	C44	0.2°	90.0°
C47	C48	C49	H40	180.0°	90.0°
C48	C47	C46	H38	179.5°	90.0°
C47	C48	C49	H41	179.8°	90.0°
CAC	CBC	H23	H24	180.0°	90.0°
C41	C43	C44	H35	119.9°	90.0°
C41	C43	C44	H36	119.9°	90.0°
C41	C43	C44	C49	74.1°	90.0°
C43	C41	C40	H33	71.0°	90.0°
C43	C41	C40	H34	48.2°	90.0°
C41	C43	H35	H36	120.3°	90.0°
O1	C41	C43	C44	130.0°	90.0°
O1	C41	C40	H33	110.1°	90.0°
O1	C41	C40	H34	130.7°	90.0°
O1	C41	C43	H35	10.1°	90.0°
O1	C41	C43	H36	110.1°	90.0°
C43	C44	C49	C48	174.1°	90.0°
C44	C43	H35	H36	120.3°	90.0°
C43	C44	C45	H37	6.2°	90.0°
C43	C44	C49	H41	5.9°	90.0°
C44	C49	C48	H41	180.0°	90.0°
C49	C44	C43	H35	45.9°	90.0°
C49	C44	C43	H36	166.0°	90.0°
C49	C44	C45	H37	178.4°	90.0°
C44	C49	C48	H40	179.8°	90.0°
C49	C48	C47	H39	179.3°	90.0°
H5	CMA	H6	H7	120.0°	90.0°
H8	CAA	CBA	H10	56.0°	90.0°
H8	CAA	CBA	H11	174.6°	90.0°
H9	CAA	CBA	H10	63.2°	90.0°
H9	CAA	CBA	H11	55.5°	90.0°
H13	CMB	H14	H15	120.0°	90.0°
H16	CAB	CBB	H17	0.0°	90.0°
H16	CAB	CBB	H18	180.0°	90.0°
H19	CMC	H20	H21	120.0°	90.0°
H22	CAC	CBC	H23	0.0°	90.0°
H22	CAC	CBC	H24	180.0°	90.0°
H25	CMD	H26	H27	120.0°	90.0°
H28	CAD	CBD	H30	89.9°	90.0°
H28	CAD	CBD	H31	151.3°	90.0°
H29	CAD	CBD	H30	28.9°	90.0°
H29	CAD	CBD	H31	90.0°	90.0°
H37	C45	C46	H38	0.7°	90.0°
H38	C46	C47	H39	0.5°	90.0°
H39	C47	C48	H40	0.7°	90.0°
H40	C48	C49	H41	0.3°	90.0°

Release date:	2023-12-06
Definition date:	2022-10-27
Last modified:	2023-12-01
Release status:	REL
Processing site:	RCSB
Derived from:	8ESS