522

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	O1	sing	0.00Å	1.37Å
O2	CAB	sing	0.00Å	1.43Å
CBB	CAB	sing	0.00Å	1.50Å
CMB	C2B	sing	0.00Å	1.50Å
CAB	C3B	sing	0.00Å	1.50Å
C2B	C3B	doub	0.00Å	1.39Å
C2B	C1B	sing	0.00Å	1.39Å
C3B	C4B	sing	0.00Å	1.39Å
C1B	CHB	sing	0.00Å	1.47Å
C1B	NB	doub	0.00Å	1.33Å
CHB	C4A	doub	0.00Å	1.46Å
C4B	NB	sing	0.00Å	1.34Å
C4B	CHC	doub	0.00Å	1.46Å
CMA	C3A	sing	0.00Å	1.50Å
NB	FE	sing	0.00Å	2.07Å
CHC	C1C	sing	0.00Å	1.47Å
C4A	C3A	sing	0.00Å	1.39Å
C4A	NA	sing	0.00Å	1.35Å
C3A	C2A	doub	0.00Å	1.38Å
CMC	C2C	sing	0.00Å	1.50Å
C1C	C2C	doub	0.00Å	1.39Å	Aromatic
C1C	NC	sing	0.00Å	1.33Å	Aromatic
NA	FE	sing	0.00Å	2.05Å
NA	C1A	sing	0.00Å	1.34Å
FE	NC	sing	0.00Å	2.06Å
FE	ND	sing	0.00Å	2.07Å
C2A	C1A	sing	0.00Å	1.38Å
C2A	CAA	sing	0.00Å	1.50Å
C2C	C3C	sing	0.00Å	1.38Å	Aromatic
NC	C4C	sing	0.00Å	1.33Å	Aromatic
C1A	CHA	doub	0.00Å	1.48Å
CAA	CBA	sing	0.00Å	1.53Å
C3C	C4C	doub	0.00Å	1.39Å	Aromatic
C3C	CAC	sing	0.00Å	1.49Å
C4C	CHD	sing	0.00Å	1.46Å
CBA	CGA	sing	0.00Å	1.51Å
O1A	CGA	doub	0.00Å	1.25Å
CHA	C4D	sing	0.00Å	1.46Å
ND	C4D	doub	0.00Å	1.34Å
ND	C1D	sing	0.00Å	1.33Å
CGA	O2A	sing	0.00Å	1.25Å
CBC	CAC	doub	0.00Å	1.31Å
C4D	C3D	sing	0.00Å	1.39Å
CHD	C1D	doub	0.00Å	1.46Å
C1D	C2D	sing	0.00Å	1.39Å
C3D	C2D	doub	0.00Å	1.37Å
C3D	CAD	sing	0.00Å	1.52Å
C2D	CMD	sing	0.00Å	1.51Å
CAD	CBD	sing	0.00Å	1.50Å
CBD	CGD	sing	0.00Å	1.52Å
CGD	O2D	doub	0.00Å	1.26Å
CGD	O1D	sing	0.00Å	1.24Å
O2A	H1	sing	0.00Å	0.95Å
CBA	H2	sing	0.00Å	1.10Å
CBA	H3	sing	0.00Å	1.10Å
CAA	H4	sing	0.00Å	1.10Å
CAA	H5	sing	0.00Å	1.10Å
CHA	H6	sing	0.00Å	1.08Å
CMA	H7	sing	0.00Å	1.10Å
CMA	H8	sing	0.00Å	1.10Å
CMA	H9	sing	0.00Å	1.10Å
CHB	H10	sing	0.00Å	1.08Å
CMB	H11	sing	0.00Å	1.10Å
CMB	H12	sing	0.00Å	1.10Å
CMB	H13	sing	0.00Å	1.10Å
CAB	H14	sing	0.00Å	1.10Å
O1	H15	sing	0.00Å	0.95Å
CBB	H16	sing	0.00Å	1.10Å
CBB	H17	sing	0.00Å	1.10Å
CBB	H18	sing	0.00Å	1.10Å
CHC	H19	sing	0.00Å	1.08Å
CMC	H20	sing	0.00Å	1.10Å
CMC	H21	sing	0.00Å	1.10Å
CMC	H22	sing	0.00Å	1.10Å
CAC	H23	sing	0.00Å	1.08Å
CBC	H24	sing	0.00Å	1.08Å
CBC	H25	sing	0.00Å	1.08Å
CHD	H26	sing	0.00Å	1.08Å
CMD	H27	sing	0.00Å	1.10Å
CMD	H28	sing	0.00Å	1.10Å
CMD	H29	sing	0.00Å	1.10Å
CAD	H30	sing	0.00Å	1.10Å
CAD	H31	sing	0.00Å	1.10Å
CBD	H32	sing	0.00Å	1.10Å
CBD	H33	sing	0.00Å	1.10Å
O1D	H34	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	O2	CAB	114.8°	90.0°
O2	O1	H15	109.5°	90.0°
O2	CAB	CBB	104.1°	90.0°
O2	CAB	C3B	111.1°	90.0°
O2	CAB	H14	109.6°	90.0°
CBB	CAB	C3B	114.7°	90.0°
CBB	CAB	H14	108.6°	90.0°
CAB	CBB	H16	109.5°	90.0°
CAB	CBB	H17	109.5°	90.0°
CAB	CBB	H18	109.5°	90.0°
CMB	C2B	C3B	128.8°	90.0°
CMB	C2B	C1B	125.5°	90.0°
C2B	CMB	H11	109.5°	90.0°
C2B	CMB	H12	109.5°	90.0°
C2B	CMB	H13	109.5°	90.0°
CAB	C3B	C2B	129.4°	90.0°
CAB	C3B	C4B	127.3°	90.0°
C3B	CAB	H14	108.6°	90.0°
C3B	C2B	C1B	105.6°	90.0°
C2B	C3B	C4B	103.3°	90.0°
C2B	C1B	CHB	122.5°	90.0°
C2B	C1B	NB	113.8°	90.0°
C3B	C4B	NB	114.6°	90.0°
C3B	C4B	CHC	122.8°	90.0°
CHB	C1B	NB	123.7°	90.0°
C1B	CHB	C4A	124.9°	90.0°
C1B	CHB	H10	117.5°	90.0°
C1B	NB	C4B	102.7°	90.0°
C1B	NB	FE	129.3°	90.0°
CHB	C4A	C3A	122.5°	90.0°
CHB	C4A	NA	123.9°	90.0°
C4A	CHB	H10	117.6°	90.0°
NB	C4B	CHC	122.6°	90.0°
C4B	NB	FE	128.0°	90.0°
C4B	CHC	C1C	127.2°	90.0°
C4B	CHC	H19	116.4°	90.0°
CMA	C3A	C4A	128.6°	90.0°
CMA	C3A	C2A	127.7°	90.0°
C3A	CMA	H7	109.5°	90.0°
C3A	CMA	H8	109.5°	90.0°
C3A	CMA	H9	109.5°	90.0°
NB	FE	NA	89.1°	90.0°
NB	FE	NC	90.7°	90.0°
NB	FE	ND	178.8°	90.0°
CHC	C1C	C2C	122.6°	90.0°
CHC	C1C	NC	123.4°	90.0°
C1C	CHC	H19	116.4°	90.0°
C3A	C4A	NA	113.6°	90.0°
C4A	C3A	C2A	103.7°	90.0°
C4A	NA	FE	128.8°	90.0°
C4A	NA	C1A	103.4°	90.0°
C3A	C2A	C1A	106.7°	90.0°
C3A	C2A	CAA	126.6°	90.0°
CMC	C2C	C1C	125.2°	90.0°
CMC	C2C	C3C	130.7°	90.0°
C2C	CMC	H20	109.5°	90.0°
C2C	CMC	H21	109.5°	90.0°
C2C	CMC	H22	109.4°	90.0°
C2C	C1C	NC	113.8°	90.0°
C1C	C2C	C3C	104.1°	90.0°
C1C	NC	FE	127.3°	90.0°
C1C	NC	C4C	103.5°	90.0°
FE	NA	C1A	127.2°	90.0°
NA	FE	NC	178.3°	90.0°
NA	FE	ND	90.8°	90.0°
NA	C1A	C2A	112.6°	90.0°
NA	C1A	CHA	123.6°	90.0°
NC	FE	ND	89.3°	90.0°
FE	NC	C4C	128.5°	90.0°
FE	ND	C4D	128.8°	90.0°
FE	ND	C1D	129.0°	90.0°
C1A	C2A	CAA	126.8°	90.0°
C2A	C1A	CHA	123.6°	90.0°
C2A	CAA	CBA	110.0°	90.0°
C2A	CAA	H4	109.3°	90.0°
C2A	CAA	H5	109.3°	90.0°
C2C	C3C	C4C	105.8°	90.0°
C2C	C3C	CAC	130.0°	90.0°
NC	C4C	C3C	112.6°	90.0°
NC	C4C	CHD	123.7°	90.0°
C1A	CHA	C4D	127.0°	90.0°
C1A	CHA	H6	116.5°	90.0°
CAA	CBA	CGA	109.0°	90.0°
CAA	CBA	H2	109.6°	90.0°
CAA	CBA	H3	109.6°	90.0°
CBA	CAA	H4	109.3°	90.0°
CBA	CAA	H5	109.3°	90.0°
C4C	C3C	CAC	124.1°	90.0°
C3C	C4C	CHD	123.6°	90.0°
C3C	CAC	CBC	125.7°	90.0°
C3C	CAC	H23	117.1°	90.0°
C4C	CHD	C1D	125.8°	90.0°
C4C	CHD	H26	117.1°	90.0°
CBA	CGA	O1A	117.8°	90.0°
CBA	CGA	O2A	118.4°	90.0°
CGA	CBA	H2	109.6°	90.0°
CGA	CBA	H3	109.6°	90.0°
O1A	CGA	O2A	123.8°	90.0°
CHA	C4D	ND	121.7°	90.0°
CHA	C4D	C3D	124.2°	90.0°
C4D	CHA	H6	116.5°	90.0°
C4D	ND	C1D	102.1°	90.0°
ND	C4D	C3D	114.2°	90.0°
ND	C1D	CHD	123.2°	90.0°
ND	C1D	C2D	114.0°	90.0°
CGA	O2A	H1	109.5°	90.0°
CBC	CAC	H23	117.2°	90.0°
CAC	CBC	H24	120.0°	90.0°
CAC	CBC	H25	120.0°	90.0°
C4D	C3D	C2D	104.6°	90.0°
C4D	C3D	CAD	129.3°	90.0°
CHD	C1D	C2D	122.8°	90.0°
C1D	CHD	H26	117.1°	90.0°
C1D	C2D	C3D	105.0°	90.0°
C1D	C2D	CMD	127.3°	90.0°
C2D	C3D	CAD	125.9°	90.0°
C3D	C2D	CMD	127.5°	90.0°
C3D	CAD	CBD	118.1°	90.0°
C3D	CAD	H30	107.3°	90.0°
C3D	CAD	H31	107.3°	90.0°
C2D	CMD	H27	109.5°	90.0°
C2D	CMD	H28	109.5°	90.0°
C2D	CMD	H29	109.5°	90.0°
CAD	CBD	CGD	109.5°	90.0°
CBD	CAD	H30	107.2°	90.0°
CBD	CAD	H31	107.3°	90.0°
CAD	CBD	H32	109.5°	90.0°
CAD	CBD	H33	109.4°	90.0°
CBD	CGD	O2D	121.3°	90.0°
CBD	CGD	O1D	115.0°	90.0°
CGD	CBD	H32	109.5°	90.0°
CGD	CBD	H33	109.4°	90.0°
O2D	CGD	O1D	123.6°	90.0°
CGD	O1D	H34	109.5°	90.0°
H2	CBA	H3	109.5°	90.0°
H4	CAA	H5	109.5°	90.0°
H7	CMA	H8	109.5°	90.0°
H7	CMA	H9	109.5°	90.0°
H8	CMA	H9	109.5°	90.0°
H11	CMB	H12	109.5°	90.0°
H11	CMB	H13	109.4°	90.0°
H12	CMB	H13	109.5°	90.0°
H16	CBB	H17	109.4°	90.0°
H16	CBB	H18	109.5°	90.0°
H17	CBB	H18	109.5°	90.0°
H20	CMC	H21	109.4°	90.0°
H20	CMC	H22	109.5°	90.0°
H21	CMC	H22	109.5°	90.0°
H24	CBC	H25	120.0°	90.0°
H27	CMD	H28	109.4°	90.0°
H27	CMD	H29	109.5°	90.0°
H28	CMD	H29	109.5°	90.0°
H30	CAD	H31	109.5°	90.0°
H32	CBD	H33	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	O2	CAB	CBB	172.7°	90.0°
O1	O2	CAB	C3B	48.7°	90.0°
O1	O2	CAB	H14	71.3°	90.0°
O2	CAB	CBB	C3B	121.6°	90.0°
O2	CAB	CBB	H14	116.7°	90.0°
O2	CAB	C3B	H14	120.6°	90.0°
O2	CAB	C3B	C2B	60.0°	90.0°
O2	CAB	C3B	C4B	117.4°	90.0°
CAB	O2	O1	H15	180.0°	90.0°
O2	CAB	CBB	H16	180.0°	90.0°
O2	CAB	CBB	H17	60.0°	90.0°
O2	CAB	CBB	H18	60.0°	90.0°
CBB	CAB	C3B	H14	121.7°	90.0°
CBB	CAB	C3B	C2B	57.8°	90.0°
CBB	CAB	C3B	C4B	124.9°	90.0°
CAB	CBB	H16	H17	120.0°	90.0°
CAB	CBB	H16	H18	120.0°	90.0°
CAB	CBB	H17	H18	120.0°	90.0°
CMB	C2B	C3B	CAB	2.1°	90.0°
CMB	C2B	C3B	C1B	179.0°	90.0°
CMB	C2B	C3B	C4B	179.9°	90.0°
CMB	C2B	C1B	CHB	0.3°	90.0°
CMB	C2B	C1B	NB	179.4°	90.0°
C2B	CMB	H11	H12	120.0°	90.0°
C2B	CMB	H11	H13	120.0°	90.0°
C2B	CMB	H12	H13	120.0°	90.0°
CAB	C3B	C2B	C4B	177.8°	90.0°
CAB	C3B	C2B	C1B	178.9°	90.0°
CAB	C3B	C4B	NB	178.4°	90.0°
CAB	C3B	C4B	CHC	5.3°	90.0°
C3B	CAB	CBB	H16	58.4°	90.0°
C3B	CAB	CBB	H17	178.3°	90.0°
C3B	CAB	CBB	H18	61.7°	90.0°
C3B	C2B	C1B	CHB	178.7°	90.0°
C3B	C2B	C1B	NB	1.5°	90.0°
C2B	C3B	C4B	NB	0.5°	90.0°
C2B	C3B	C4B	CHC	176.8°	90.0°
C3B	C2B	CMB	H11	180.0°	90.0°
C3B	C2B	CMB	H12	60.0°	90.0°
C3B	C2B	CMB	H13	60.0°	90.0°
C2B	C3B	CAB	H14	179.5°	90.0°
C1B	C2B	C3B	C4B	1.1°	90.0°
C2B	C1B	CHB	NB	179.7°	90.0°
C2B	C1B	CHB	C4A	178.9°	90.0°
C2B	C1B	NB	C4B	1.2°	90.0°
C2B	C1B	NB	FE	179.1°	90.0°
C2B	C1B	CHB	H10	1.1°	90.0°
C1B	C2B	CMB	H11	1.2°	90.0°
C1B	C2B	CMB	H12	118.8°	90.0°
C1B	C2B	CMB	H13	121.2°	90.0°
C3B	C4B	NB	C1B	0.4°	90.0°
C3B	C4B	NB	CHC	176.4°	90.0°
C3B	C4B	NB	FE	179.9°	90.0°
C3B	C4B	CHC	C1C	173.1°	90.0°
C4B	C3B	CAB	H14	3.2°	90.0°
C3B	C4B	CHC	H19	6.9°	90.0°
C1B	CHB	C4A	H10	180.0°	90.0°
CHB	C1B	NB	C4B	179.1°	90.0°
CHB	C1B	NB	FE	0.6°	90.0°
C1B	CHB	C4A	C3A	178.7°	90.0°
C1B	CHB	C4A	NA	3.4°	90.0°
NB	C1B	CHB	C4A	0.8°	90.0°
C1B	NB	C4B	FE	179.7°	90.0°
C1B	NB	C4B	CHC	175.9°	90.0°
C1B	NB	FE	NA	1.9°	90.0°
C1B	NB	FE	NC	176.4°	90.0°
C1B	NB	FE	ND	83.7°	90.0°
NB	C1B	CHB	H10	179.2°	90.0°
CHB	C4A	C3A	CMA	0.1°	90.0°
CHB	C4A	C3A	NA	178.1°	90.0°
CHB	C4A	C3A	C2A	179.8°	90.0°
CHB	C4A	NA	FE	7.5°	90.0°
CHB	C4A	NA	C1A	178.9°	90.0°
NB	C4B	CHC	C1C	3.0°	90.0°
C4B	NB	FE	NA	178.4°	90.0°
C4B	NB	FE	NC	3.3°	90.0°
C4B	NB	FE	ND	96.0°	90.0°
NB	C4B	CHC	H19	177.0°	90.0°
CHC	C4B	NB	FE	3.8°	90.0°
C4B	CHC	C1C	H19	180.0°	90.0°
C4B	CHC	C1C	C2C	174.0°	90.0°
C4B	CHC	C1C	NC	10.4°	90.0°
CMA	C3A	C4A	C2A	179.7°	90.0°
CMA	C3A	C4A	NA	178.1°	90.0°
CMA	C3A	C2A	C1A	179.9°	90.0°
CMA	C3A	C2A	CAA	0.3°	90.0°
C3A	CMA	H7	H8	120.0°	90.0°
C3A	CMA	H7	H9	120.0°	90.0°
C3A	CMA	H8	H9	120.0°	90.0°
NB	FE	NA	C4A	5.9°	90.0°
NB	FE	NC	C1C	3.7°	90.0°
NB	FE	NA	NC	84.2°	90.0°
NB	FE	NA	ND	178.8°	90.0°
NB	FE	NA	C1A	175.5°	90.0°
NB	FE	NC	ND	178.8°	90.0°
NB	FE	NC	C4C	172.1°	90.0°
NB	FE	ND	C4D	89.9°	90.0°
NB	FE	ND	C1D	92.2°	90.0°
CHC	C1C	C2C	CMC	1.9°	90.0°
CHC	C1C	C2C	NC	176.0°	90.0°
CHC	C1C	NC	FE	10.1°	90.0°
CHC	C1C	C2C	C3C	178.7°	90.0°
CHC	C1C	NC	C4C	179.2°	90.0°
C3A	C4A	NA	FE	174.4°	90.0°
C3A	C4A	NA	C1A	3.0°	90.0°
C4A	C3A	C2A	C1A	0.4°	90.0°
C4A	C3A	C2A	CAA	180.0°	90.0°
C4A	C3A	CMA	H7	180.0°	90.0°
C4A	C3A	CMA	H8	60.0°	90.0°
C4A	C3A	CMA	H9	60.0°	90.0°
C3A	C4A	CHB	H10	1.3°	90.0°
NA	C4A	C3A	C2A	1.6°	90.0°
C4A	NA	FE	C1A	169.5°	90.0°
C4A	NA	FE	NC	78.3°	90.0°
C4A	NA	FE	ND	172.9°	90.0°
C4A	NA	C1A	C2A	3.2°	90.0°
C4A	NA	C1A	CHA	177.9°	90.0°
NA	C4A	CHB	H10	176.6°	90.0°
C3A	C2A	C1A	NA	2.4°	90.0°
C3A	C2A	C1A	CAA	179.6°	90.0°
C3A	C2A	C1A	CHA	177.0°	90.0°
C3A	C2A	CAA	CBA	93.8°	90.0°
C3A	C2A	CAA	H4	26.2°	90.0°
C3A	C2A	CAA	H5	146.1°	90.0°
C2A	C3A	CMA	H7	0.4°	90.0°
C2A	C3A	CMA	H8	120.4°	90.0°
C2A	C3A	CMA	H9	119.6°	90.0°
CMC	C2C	C1C	C3C	179.4°	90.0°
CMC	C2C	C1C	NC	177.9°	90.0°
CMC	C2C	C3C	C4C	179.7°	90.0°
CMC	C2C	C3C	CAC	3.3°	90.0°
C2C	CMC	H20	H21	120.0°	90.0°
C2C	CMC	H20	H22	120.0°	90.0°
C2C	CMC	H21	H22	120.0°	90.0°
C2C	C1C	NC	FE	173.9°	90.0°
C2C	C1C	NC	C4C	3.3°	90.0°
C1C	C2C	C3C	C4C	0.9°	90.0°
C1C	C2C	C3C	CAC	177.3°	90.0°
C2C	C1C	CHC	H19	6.0°	90.0°
C1C	C2C	CMC	H20	89.7°	90.0°
C1C	C2C	CMC	H21	150.3°	90.0°
C1C	C2C	CMC	H22	30.3°	90.0°
C1C	NC	FE	NA	80.5°	90.0°
C1C	NC	FE	C4C	168.4°	90.0°
C1C	NC	FE	ND	175.1°	90.0°
NC	C1C	C2C	C3C	2.7°	90.0°
C1C	NC	C4C	C3C	2.6°	90.0°
C1C	NC	C4C	CHD	179.8°	90.0°
NC	C1C	CHC	H19	169.6°	90.0°
NA	FE	NC	ND	94.6°	90.0°
FE	NA	C1A	C2A	174.9°	90.0°
NA	FE	NC	C4C	87.9°	90.0°
FE	NA	C1A	CHA	10.5°	90.0°
NA	FE	ND	C4D	4.3°	90.0°
NA	FE	ND	C1D	177.7°	90.0°
C1A	NA	FE	NC	91.2°	90.0°
C1A	NA	FE	ND	3.4°	90.0°
NA	C1A	C2A	CHA	174.6°	90.0°
NA	C1A	C2A	CAA	178.0°	90.0°
NA	C1A	CHA	C4D	11.3°	90.0°
NA	C1A	CHA	H6	168.7°	90.0°
FE	NC	C4C	C3C	173.1°	90.0°
FE	NC	C4C	CHD	9.7°	90.0°
NC	FE	ND	C4D	177.4°	90.0°
NC	FE	ND	C1D	0.6°	90.0°
ND	FE	NC	C4C	6.7°	90.0°
FE	ND	C4D	CHA	4.6°	90.0°
FE	ND	C4D	C1D	178.4°	90.0°
FE	ND	C4D	C3D	177.5°	90.0°
FE	ND	C1D	CHD	2.6°	90.0°
FE	ND	C1D	C2D	175.7°	90.0°
C1A	C2A	CAA	CBA	85.6°	90.0°
C2A	C1A	CHA	C4D	174.7°	90.0°
C1A	C2A	CAA	H4	154.3°	90.0°
C1A	C2A	CAA	H5	34.4°	90.0°
C2A	C1A	CHA	H6	5.3°	90.0°
CAA	C2A	C1A	CHA	3.4°	90.0°
C2A	CAA	CBA	H4	120.1°	90.0°
C2A	CAA	CBA	H5	120.1°	90.0°
C2A	CAA	CBA	CGA	178.7°	90.0°
C2A	CAA	CBA	H2	58.7°	90.0°
C2A	CAA	CBA	H3	61.4°	90.0°
C2A	CAA	H4	H5	119.7°	90.0°
C2C	C3C	C4C	NC	1.1°	90.0°
C2C	C3C	C4C	CAC	176.6°	90.0°
C2C	C3C	C4C	CHD	178.3°	90.0°
C2C	C3C	CAC	CBC	7.8°	90.0°
C3C	C2C	CMC	H20	89.6°	90.0°
C3C	C2C	CMC	H21	30.4°	90.0°
C3C	C2C	CMC	H22	150.4°	90.0°
C2C	C3C	CAC	H23	172.1°	90.0°
NC	C4C	C3C	CHD	177.2°	90.0°
NC	C4C	C3C	CAC	175.6°	90.0°
NC	C4C	CHD	C1D	5.2°	90.0°
NC	C4C	CHD	H26	174.9°	90.0°
C1A	CHA	C4D	H6	180.0°	90.0°
C1A	CHA	C4D	ND	3.2°	90.0°
C1A	CHA	C4D	C3D	174.5°	90.0°
CAA	CBA	CGA	H2	119.9°	90.0°
CAA	CBA	CGA	H3	119.9°	90.0°
CAA	CBA	CGA	O1A	66.2°	90.0°
CAA	CBA	CGA	O2A	112.4°	90.0°
CAA	CBA	H2	H3	120.2°	90.0°
CBA	CAA	H4	H5	119.8°	90.0°
C4C	C3C	CAC	CBC	167.9°	90.0°
C3C	C4C	CHD	C1D	177.9°	90.0°
C4C	C3C	CAC	H23	12.1°	90.0°
C3C	C4C	CHD	H26	2.0°	90.0°
CAC	C3C	C4C	CHD	1.6°	90.0°
C3C	CAC	CBC	H23	180.0°	90.0°
C3C	CAC	CBC	H24	180.0°	90.0°
C3C	CAC	CBC	H25	0.0°	90.0°
C4C	CHD	C1D	ND	1.3°	90.0°
C4C	CHD	C1D	H26	180.0°	90.0°
C4C	CHD	C1D	C2D	176.9°	90.0°
CBA	CGA	O1A	O2A	178.5°	90.0°
CBA	CGA	O2A	H1	178.5°	90.0°
CGA	CBA	H2	H3	120.2°	90.0°
CGA	CBA	CAA	H4	61.3°	90.0°
CGA	CBA	CAA	H5	58.6°	90.0°
O1A	CGA	O2A	H1	0.0°	90.0°
O1A	CGA	CBA	H2	173.8°	90.0°
O1A	CGA	CBA	H3	53.7°	90.0°
CHA	C4D	ND	C3D	177.9°	90.0°
CHA	C4D	ND	C1D	177.0°	90.0°
CHA	C4D	C3D	C2D	178.9°	90.0°
CHA	C4D	C3D	CAD	6.4°	90.0°
C4D	ND	C1D	CHD	179.0°	90.0°
C4D	ND	C1D	C2D	2.7°	90.0°
ND	C4D	C3D	C2D	1.1°	90.0°
ND	C4D	C3D	CAD	175.8°	90.0°
ND	C4D	CHA	H6	176.8°	90.0°
C1D	ND	C4D	C3D	0.9°	90.0°
ND	C1D	CHD	C2D	178.2°	90.0°
ND	C1D	C2D	C3D	3.5°	90.0°
ND	C1D	C2D	CMD	179.7°	90.0°
ND	C1D	CHD	H26	178.7°	90.0°
O2A	CGA	CBA	H2	7.6°	90.0°
O2A	CGA	CBA	H3	127.7°	90.0°
CAC	CBC	H24	H25	180.0°	90.0°
C4D	C3D	C2D	C1D	2.6°	90.0°
C4D	C3D	C2D	CAD	174.9°	90.0°
C4D	C3D	C2D	CMD	179.3°	90.0°
C4D	C3D	CAD	CBD	79.5°	90.0°
C3D	C4D	CHA	H6	5.5°	90.0°
C4D	C3D	CAD	H30	41.7°	90.0°
C4D	C3D	CAD	H31	159.2°	90.0°
CHD	C1D	C2D	C3D	178.2°	90.0°
CHD	C1D	C2D	CMD	1.4°	90.0°
C1D	C2D	C3D	CMD	176.8°	90.0°
C1D	C2D	C3D	CAD	177.5°	90.0°
C2D	C1D	CHD	H26	3.1°	90.0°
C1D	C2D	CMD	H27	180.0°	90.0°
C1D	C2D	CMD	H28	60.0°	90.0°
C1D	C2D	CMD	H29	60.0°	90.0°
C2D	C3D	CAD	CBD	106.8°	90.0°
C3D	C2D	CMD	H27	3.9°	90.0°
C3D	C2D	CMD	H28	123.9°	90.0°
C3D	C2D	CMD	H29	116.1°	90.0°
C2D	C3D	CAD	H30	131.9°	90.0°
C2D	C3D	CAD	H31	14.4°	90.0°
CAD	C3D	C2D	CMD	5.7°	90.0°
C3D	CAD	CBD	H30	121.2°	90.0°
C3D	CAD	CBD	H31	121.2°	90.0°
C3D	CAD	CBD	CGD	173.7°	90.0°
C3D	CAD	H30	H31	116.1°	90.0°
C3D	CAD	CBD	H32	53.7°	90.0°
C3D	CAD	CBD	H33	66.3°	90.0°
C2D	CMD	H27	H28	120.0°	90.0°
C2D	CMD	H27	H29	120.0°	90.0°
C2D	CMD	H28	H29	120.0°	90.0°
CAD	CBD	CGD	H32	120.0°	90.0°
CAD	CBD	CGD	H33	120.0°	90.0°
CAD	CBD	CGD	O2D	11.1°	90.0°
CAD	CBD	CGD	O1D	170.1°	90.0°
CBD	CAD	H30	H31	116.1°	90.0°
CAD	CBD	H32	H33	120.0°	90.0°
CBD	CGD	O2D	O1D	178.8°	90.0°
CGD	CBD	CAD	H30	65.1°	90.0°
CGD	CBD	CAD	H31	52.5°	90.0°
CGD	CBD	H32	H33	120.0°	90.0°
CBD	CGD	O1D	H34	178.9°	90.0°
O2D	CGD	CBD	H32	109.0°	90.0°
O2D	CGD	CBD	H33	131.1°	90.0°
O2D	CGD	O1D	H34	0.0°	90.0°
O1D	CGD	CBD	H32	69.9°	90.0°
O1D	CGD	CBD	H33	50.1°	90.0°
H2	CBA	CAA	H4	178.8°	90.0°
H2	CBA	CAA	H5	61.4°	90.0°
H3	CBA	CAA	H4	58.7°	90.0°
H3	CBA	CAA	H5	178.5°	90.0°
H7	CMA	H8	H9	120.0°	90.0°
H11	CMB	H12	H13	119.9°	90.0°
H14	CAB	CBB	H16	63.3°	90.0°
H14	CAB	CBB	H17	56.7°	90.0°
H14	CAB	CBB	H18	176.7°	90.0°
H16	CBB	H17	H18	120.0°	90.0°
H20	CMC	H21	H22	120.0°	90.0°
H23	CAC	CBC	H24	0.0°	90.0°
H23	CAC	CBC	H25	180.0°	90.0°
H27	CMD	H28	H29	120.0°	90.0°
H30	CAD	CBD	H32	174.9°	90.0°
H30	CAD	CBD	H33	54.9°	90.0°
H31	CAD	CBD	H32	67.6°	90.0°
H31	CAD	CBD	H33	172.5°	90.0°

Release date:	2015-09-02
Definition date:	2015-07-15
Last modified:	2015-08-28
Release status:	REL
Processing site:	RCSB
Derived from:	5CJH