MD9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CMB	C2B	sing	0.00Å	1.50Å
CMC	C2C	sing	0.00Å	1.50Å
CMA	C3A	sing	0.00Å	1.50Å
CMD	C2D	sing	0.00Å	1.50Å
CAA	CBA	sing	0.00Å	1.52Å
CAA	C2A	sing	0.00Å	1.52Å
CBA	CGA	sing	0.00Å	1.48Å
CGA	O1A	doub	0.00Å	1.26Å
CGA	O2A	sing	0.00Å	1.25Å
CAD	CBD	sing	0.00Å	1.50Å
CAD	C3D	sing	0.00Å	1.52Å
CBD	CGD	sing	0.00Å	1.49Å
CGD	O1D	doub	0.00Å	1.25Å
CGD	O2D	sing	0.00Å	1.25Å
C2A	C3A	doub	0.00Å	1.37Å
C2A	C1A	sing	0.00Å	1.39Å
C3A	C4A	sing	0.00Å	1.39Å
C4A	NA	doub	0.00Å	1.38Å
C4A	CHB	sing	0.00Å	1.49Å
NA	C1A	sing	0.00Å	1.40Å
NA	MG	sing	0.00Å	1.70Å
C1A	CHA	doub	0.00Å	1.50Å
CHB	C1B	doub	0.00Å	1.47Å
C1B	C2B	sing	0.00Å	1.39Å
C1B	NB	sing	0.00Å	1.35Å
C2B	C3B	doub	0.00Å	1.37Å
C3B	C4B	sing	0.00Å	1.39Å
C4B	NB	sing	0.00Å	1.36Å
C4B	CHC	doub	0.00Å	1.45Å
NB	MG	sing	0.00Å	2.03Å
CHC	C1C	sing	0.00Å	1.44Å
C1C	C2C	sing	0.00Å	1.38Å
C1C	NC	doub	0.00Å	1.36Å
C2C	C3C	doub	0.00Å	1.36Å
C3C	C4C	sing	0.00Å	1.38Å
C4C	NC	sing	0.00Å	1.38Å
C4C	CHD	doub	0.00Å	1.47Å
NC	MG	sing	0.00Å	1.87Å
CHD	C1D	sing	0.00Å	1.48Å
C1D	C2D	doub	0.00Å	1.40Å	Aromatic
C1D	ND	sing	0.00Å	1.36Å	Aromatic
C2D	C3D	sing	0.00Å	1.36Å	Aromatic
C3D	C4D	doub	0.00Å	1.40Å	Aromatic
C4D	ND	sing	0.00Å	1.35Å	Aromatic
C4D	CHA	sing	0.00Å	1.48Å
ND	MG	sing	0.00Å	1.95Å
CMB	H1	sing	0.00Å	1.10Å
CMB	H2	sing	0.00Å	1.10Å
CMB	H3	sing	0.00Å	1.10Å
CMC	H4	sing	0.00Å	1.10Å
CMC	H5	sing	0.00Å	1.10Å
CMC	H6	sing	0.00Å	1.10Å
CMA	H7	sing	0.00Å	1.10Å
CMA	H8	sing	0.00Å	1.10Å
CMA	H9	sing	0.00Å	1.10Å
CMD	H10	sing	0.00Å	1.10Å
CMD	H11	sing	0.00Å	1.10Å
CMD	H12	sing	0.00Å	1.10Å
CAA	H13	sing	0.00Å	1.10Å
CAA	H14	sing	0.00Å	1.10Å
CBA	H15	sing	0.00Å	1.10Å
CBA	H16	sing	0.00Å	1.10Å
CAD	H17	sing	0.00Å	1.10Å
CAD	H18	sing	0.00Å	1.10Å
CBD	H19	sing	0.00Å	1.10Å
CBD	H20	sing	0.00Å	1.10Å
CHB	H21	sing	0.00Å	1.08Å
C3B	H22	sing	0.00Å	1.08Å
CHC	H23	sing	0.00Å	1.08Å
C3C	H24	sing	0.00Å	1.08Å
CHD	H25	sing	0.00Å	1.08Å
CHA	H26	sing	0.00Å	1.08Å
O2D	H27	sing	0.00Å	0.95Å
O2A	H28	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CMB	C2B	C1B	127.8°	90.0°
CMB	C2B	C3B	128.0°	90.0°
C2B	CMB	H1	109.5°	90.0°
C2B	CMB	H2	109.5°	90.0°
C2B	CMB	H3	109.5°	90.0°
CMC	C2C	C1C	128.1°	90.0°
CMC	C2C	C3C	127.5°	90.0°
C2C	CMC	H4	109.5°	90.0°
C2C	CMC	H5	109.5°	90.0°
C2C	CMC	H6	109.5°	90.0°
CMA	C3A	C2A	127.2°	90.0°
CMA	C3A	C4A	128.4°	90.0°
C3A	CMA	H7	109.5°	90.0°
C3A	CMA	H8	109.5°	90.0°
C3A	CMA	H9	109.5°	90.0°
CMD	C2D	C1D	127.5°	90.0°
CMD	C2D	C3D	127.3°	90.0°
C2D	CMD	H10	109.5°	90.0°
C2D	CMD	H11	109.5°	90.0°
C2D	CMD	H12	109.5°	90.0°
CBA	CAA	C2A	117.2°	90.0°
CAA	CBA	CGA	117.4°	90.0°
CBA	CAA	H13	107.5°	90.0°
CBA	CAA	H14	107.5°	90.0°
CAA	CBA	H15	107.5°	90.0°
CAA	CBA	H16	107.4°	90.0°
CAA	C2A	C3A	126.0°	90.0°
CAA	C2A	C1A	128.1°	90.0°
C2A	CAA	H13	107.5°	90.0°
C2A	CAA	H14	107.5°	90.0°
CBA	CGA	O1A	119.9°	90.0°
CBA	CGA	O2A	120.0°	90.0°
CGA	CBA	H15	107.5°	90.0°
CGA	CBA	H16	107.5°	90.0°
O1A	CGA	O2A	120.1°	90.0°
CGA	O2A	H28	109.5°	90.0°
CBD	CAD	C3D	116.7°	90.0°
CAD	CBD	CGD	119.1°	90.0°
CBD	CAD	H17	107.6°	90.0°
CBD	CAD	H18	107.6°	90.0°
CAD	CBD	H19	107.0°	90.0°
CAD	CBD	H20	107.0°	90.0°
CAD	C3D	C2D	127.3°	90.0°
CAD	C3D	C4D	127.5°	90.0°
C3D	CAD	H17	107.6°	90.0°
C3D	CAD	H18	107.6°	90.0°
CBD	CGD	O1D	119.5°	90.0°
CBD	CGD	O2D	120.1°	90.0°
CGD	CBD	H19	107.0°	90.0°
CGD	CBD	H20	107.0°	90.0°
O1D	CGD	O2D	120.4°	90.0°
CGD	O2D	H27	109.5°	90.0°
C3A	C2A	C1A	106.0°	90.0°
C2A	C3A	C4A	104.4°	90.0°
C2A	C1A	NA	114.9°	90.0°
C2A	C1A	CHA	111.8°	90.0°
C3A	C4A	NA	116.6°	90.0°
C3A	C4A	CHB	113.5°	90.0°
NA	C4A	CHB	130.0°	90.0°
C4A	NA	C1A	98.2°	90.0°
C4A	NA	MG	135.0°	90.0°
C4A	CHB	C1B	107.8°	90.0°
C4A	CHB	H21	126.1°	90.0°
C1A	NA	MG	126.8°	90.0°
NA	C1A	CHA	133.3°	90.0°
NA	MG	NB	86.7°	90.0°
NA	MG	NC	163.6°	90.0°
NA	MG	ND	94.3°	90.0°
C1A	CHA	C4D	109.6°	90.0°
C1A	CHA	H26	125.2°	90.0°
CHB	C1B	C2B	116.6°	90.0°
CHB	C1B	NB	128.7°	90.0°
C1B	CHB	H21	126.1°	90.0°
C2B	C1B	NB	114.8°	90.0°
C1B	C2B	C3B	104.2°	90.0°
C1B	NB	C4B	101.4°	90.0°
C1B	NB	MG	127.1°	90.0°
C2B	C3B	C4B	106.1°	90.0°
C2B	C3B	H22	127.0°	90.0°
C3B	C4B	NB	113.5°	90.0°
C3B	C4B	CHC	116.1°	90.0°
C4B	C3B	H22	127.0°	90.0°
NB	C4B	CHC	130.4°	90.0°
C4B	NB	MG	129.6°	90.0°
C4B	CHC	C1C	109.0°	90.0°
C4B	CHC	H23	125.5°	90.0°
NB	MG	NC	84.0°	90.0°
NB	MG	ND	157.6°	90.0°
CHC	C1C	C2C	112.5°	90.0°
CHC	C1C	NC	130.8°	90.0°
C1C	CHC	H23	125.5°	90.0°
C2C	C1C	NC	116.7°	90.0°
C1C	C2C	C3C	104.4°	90.0°
C1C	NC	C4C	97.7°	90.0°
C1C	NC	MG	135.0°	90.0°
C2C	C3C	C4C	105.3°	90.0°
C2C	C3C	H24	127.4°	90.0°
C3C	C4C	NC	116.0°	90.0°
C3C	C4C	CHD	112.0°	90.0°
C4C	C3C	H24	127.3°	90.0°
NC	C4C	CHD	132.0°	90.0°
C4C	NC	MG	127.2°	90.0°
C4C	CHD	C1D	109.9°	90.0°
C4C	CHD	H25	125.1°	90.0°
NC	MG	ND	89.3°	90.0°
CHD	C1D	C2D	118.0°	90.0°
CHD	C1D	ND	128.2°	90.0°
C1D	CHD	H25	125.0°	90.0°
C2D	C1D	ND	113.7°	90.0°
C1D	C2D	C3D	105.2°	90.0°
C1D	ND	C4D	101.9°	90.0°
C1D	ND	MG	127.8°	90.0°
C2D	C3D	C4D	105.2°	90.0°
C3D	C4D	ND	114.0°	90.0°
C3D	C4D	CHA	119.2°	90.0°
ND	C4D	CHA	126.9°	90.0°
C4D	ND	MG	127.0°	90.0°
C4D	CHA	H26	125.2°	90.0°
H1	CMB	H2	109.5°	90.0°
H1	CMB	H3	109.5°	90.0°
H2	CMB	H3	109.4°	90.0°
H4	CMC	H5	109.5°	90.0°
H4	CMC	H6	109.4°	90.0°
H5	CMC	H6	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°
H10	CMD	H11	109.4°	90.0°
H10	CMD	H12	109.5°	90.0°
H11	CMD	H12	109.5°	90.0°
H13	CAA	H14	109.5°	90.0°
H15	CBA	H16	109.5°	90.0°
H17	CAD	H18	109.5°	90.0°
H19	CBD	H20	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CMB	C2B	C1B	CHB	0.6°	90.0°
CMB	C2B	C1B	C3B	179.9°	90.0°
CMB	C2B	C1B	NB	179.4°	90.0°
CMB	C2B	C3B	C4B	180.0°	90.0°
C2B	CMB	H1	H2	120.0°	90.0°
C2B	CMB	H1	H3	120.0°	90.0°
C2B	CMB	H2	H3	120.0°	90.0°
CMB	C2B	C3B	H22	0.0°	90.0°
CMC	C2C	C1C	CHC	0.2°	90.0°
CMC	C2C	C1C	C3C	179.8°	90.0°
CMC	C2C	C1C	NC	180.0°	90.0°
CMC	C2C	C3C	C4C	179.8°	90.0°
C2C	CMC	H4	H5	120.0°	90.0°
C2C	CMC	H4	H6	120.0°	90.0°
C2C	CMC	H5	H6	120.0°	90.0°
CMC	C2C	C3C	H24	0.2°	90.0°
CMA	C3A	C2A	CAA	0.1°	90.0°
CMA	C3A	C2A	C4A	179.9°	90.0°
CMA	C3A	C2A	C1A	179.9°	90.0°
CMA	C3A	C4A	NA	179.8°	90.0°
CMA	C3A	C4A	CHB	0.2°	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°
CMD	C2D	C3D	CAD	0.1°	90.0°
CMD	C2D	C1D	CHD	0.2°	90.0°
CMD	C2D	C1D	C3D	179.9°	90.0°
CMD	C2D	C1D	ND	179.3°	90.0°
CMD	C2D	C3D	C4D	179.9°	90.0°
C2D	CMD	H10	H11	120.0°	90.0°
C2D	CMD	H10	H12	120.0°	90.0°
C2D	CMD	H11	H12	120.0°	90.0°
CBA	CAA	C2A	H13	121.1°	90.0°
CBA	CAA	C2A	H14	121.1°	90.0°
CAA	CBA	CGA	H15	121.2°	90.0°
CAA	CBA	CGA	H16	121.1°	90.0°
CAA	CBA	CGA	O1A	47.9°	90.0°
CAA	CBA	CGA	O2A	132.0°	90.0°
CBA	CAA	C2A	C3A	89.4°	90.0°
CBA	CAA	C2A	C1A	90.5°	90.0°
CBA	CAA	H13	H14	116.5°	90.0°
CAA	CBA	H15	H16	116.4°	90.0°
C2A	CAA	CBA	CGA	78.0°	90.0°
CAA	C2A	C3A	C1A	179.9°	90.0°
CAA	C2A	C3A	C4A	179.8°	90.0°
CAA	C2A	C1A	NA	179.7°	90.0°
CAA	C2A	C1A	CHA	0.2°	90.0°
C2A	CAA	H13	H14	116.5°	90.0°
C2A	CAA	CBA	H15	160.8°	90.0°
C2A	CAA	CBA	H16	43.1°	90.0°
CBA	CGA	O1A	O2A	179.9°	90.0°
CGA	CBA	CAA	H13	160.9°	90.0°
CGA	CBA	CAA	H14	43.1°	90.0°
CGA	CBA	H15	H16	116.4°	90.0°
CBA	CGA	O2A	H28	179.9°	90.0°
O1A	CGA	CBA	H15	73.2°	90.0°
O1A	CGA	CBA	H16	169.1°	90.0°
O1A	CGA	O2A	H28	0.0°	90.0°
O2A	CGA	CBA	H15	106.9°	90.0°
O2A	CGA	CBA	H16	10.8°	90.0°
CBD	CAD	C3D	H17	121.0°	90.0°
CBD	CAD	C3D	H18	121.1°	90.0°
CAD	CBD	CGD	H19	121.4°	90.0°
CAD	CBD	CGD	H20	121.4°	90.0°
CAD	CBD	CGD	O1D	175.6°	90.0°
CAD	CBD	CGD	O2D	4.5°	90.0°
CBD	CAD	C3D	C2D	109.3°	90.0°
CBD	CAD	C3D	C4D	70.5°	90.0°
CBD	CAD	H17	H18	116.7°	90.0°
CAD	CBD	H19	H20	115.7°	90.0°
C3D	CAD	CBD	CGD	145.3°	90.0°
CAD	C3D	C2D	C1D	180.0°	90.0°
CAD	C3D	C2D	C4D	179.8°	90.0°
CAD	C3D	C4D	ND	179.3°	90.0°
CAD	C3D	C4D	CHA	0.1°	90.0°
C3D	CAD	H17	H18	116.7°	90.0°
C3D	CAD	CBD	H19	93.4°	90.0°
C3D	CAD	CBD	H20	23.9°	90.0°
CBD	CGD	O1D	O2D	179.9°	90.0°
CGD	CBD	CAD	H17	93.7°	90.0°
CGD	CBD	CAD	H18	24.2°	90.0°
CGD	CBD	H19	H20	115.6°	90.0°
CBD	CGD	O2D	H27	180.0°	90.0°
O1D	CGD	CBD	H19	63.0°	90.0°
O1D	CGD	CBD	H20	54.2°	90.0°
O1D	CGD	O2D	H27	0.0°	90.0°
O2D	CGD	CBD	H19	116.9°	90.0°
O2D	CGD	CBD	H20	125.9°	90.0°
C2A	C3A	C4A	NA	0.1°	90.0°
C2A	C3A	C4A	CHB	179.9°	90.0°
C3A	C2A	C1A	NA	0.2°	90.0°
C3A	C2A	C1A	CHA	179.7°	90.0°
C2A	C3A	CMA	H7	180.0°	90.0°
C2A	C3A	CMA	H8	60.0°	90.0°
C2A	C3A	CMA	H9	60.0°	90.0°
C3A	C2A	CAA	H13	31.8°	90.0°
C3A	C2A	CAA	H14	149.5°	90.0°
C1A	C2A	C3A	C4A	0.0°	90.0°
C2A	C1A	NA	C4A	0.2°	90.0°
C2A	C1A	NA	CHA	179.4°	90.0°
C2A	C1A	NA	MG	179.2°	90.0°
C2A	C1A	CHA	C4D	177.8°	90.0°
C1A	C2A	CAA	H13	148.4°	90.0°
C1A	C2A	CAA	H14	30.6°	90.0°
C2A	C1A	CHA	H26	2.2°	90.0°
C3A	C4A	NA	CHB	180.0°	90.0°
C3A	C4A	NA	C1A	0.2°	90.0°
C3A	C4A	NA	MG	179.2°	90.0°
C3A	C4A	CHB	C1B	164.4°	90.0°
C4A	C3A	CMA	H7	0.1°	90.0°
C4A	C3A	CMA	H8	119.9°	90.0°
C4A	C3A	CMA	H9	120.1°	90.0°
C3A	C4A	CHB	H21	15.6°	90.0°
C4A	NA	C1A	MG	179.4°	90.0°
C4A	NA	C1A	CHA	179.6°	90.0°
NA	C4A	CHB	C1B	15.6°	90.0°
C4A	NA	MG	NB	15.0°	90.0°
C4A	NA	MG	NC	70.5°	90.0°
C4A	NA	MG	ND	172.6°	90.0°
NA	C4A	CHB	H21	164.4°	90.0°
CHB	C4A	NA	C1A	179.9°	90.0°
CHB	C4A	NA	MG	0.8°	90.0°
C4A	CHB	C1B	H21	180.0°	90.0°
C4A	CHB	C1B	C2B	173.3°	90.0°
C4A	CHB	C1B	NB	6.7°	90.0°
C1A	NA	MG	NB	164.2°	90.0°
C1A	NA	MG	NC	108.7°	90.0°
NA	C1A	CHA	C4D	1.7°	90.0°
C1A	NA	MG	ND	6.6°	90.0°
NA	C1A	CHA	H26	178.3°	90.0°
MG	NA	C1A	CHA	0.2°	90.0°
NA	MG	NB	C1B	21.2°	90.0°
NA	MG	NB	C4B	177.1°	90.0°
NA	MG	NB	NC	166.4°	90.0°
NA	MG	NB	ND	93.2°	90.0°
NA	MG	NC	C1C	58.1°	90.0°
NA	MG	NC	C4C	116.5°	90.0°
NA	MG	NC	ND	102.8°	90.0°
NA	MG	ND	C1D	171.6°	90.0°
NA	MG	ND	C4D	15.9°	90.0°
C1A	CHA	C4D	C3D	172.1°	90.0°
C1A	CHA	C4D	ND	8.6°	90.0°
C1A	CHA	C4D	H26	180.0°	90.0°
CHB	C1B	C2B	NB	180.0°	90.0°
CHB	C1B	C2B	C3B	179.5°	90.0°
CHB	C1B	NB	C4B	179.1°	90.0°
CHB	C1B	NB	MG	13.5°	90.0°
C1B	C2B	C3B	C4B	0.1°	90.0°
C2B	C1B	NB	C4B	0.8°	90.0°
C2B	C1B	NB	MG	166.5°	90.0°
C1B	C2B	CMB	H1	180.0°	90.0°
C1B	C2B	CMB	H2	60.0°	90.0°
C1B	C2B	CMB	H3	60.0°	90.0°
C2B	C1B	CHB	H21	6.7°	90.0°
C1B	C2B	C3B	H22	179.9°	90.0°
NB	C1B	C2B	C3B	0.5°	90.0°
C1B	NB	C4B	C3B	0.9°	90.0°
C1B	NB	C4B	MG	165.2°	90.0°
C1B	NB	C4B	CHC	179.9°	90.0°
C1B	NB	MG	NC	172.3°	90.0°
C1B	NB	MG	ND	114.4°	90.0°
NB	C1B	CHB	H21	173.3°	90.0°
C2B	C3B	C4B	H22	180.0°	90.0°
C2B	C3B	C4B	NB	0.6°	90.0°
C2B	C3B	C4B	CHC	180.0°	90.0°
C3B	C2B	CMB	H1	0.1°	90.0°
C3B	C2B	CMB	H2	120.0°	90.0°
C3B	C2B	CMB	H3	120.1°	90.0°
C3B	C4B	NB	CHC	179.2°	90.0°
C3B	C4B	NB	MG	166.0°	90.0°
C3B	C4B	CHC	C1C	175.1°	90.0°
C3B	C4B	CHC	H23	4.9°	90.0°
NB	C4B	CHC	C1C	5.7°	90.0°
C4B	NB	MG	NC	10.7°	90.0°
C4B	NB	MG	ND	83.9°	90.0°
NB	C4B	C3B	H22	179.4°	90.0°
NB	C4B	CHC	H23	174.3°	90.0°
CHC	C4B	NB	MG	14.7°	90.0°
C4B	CHC	C1C	H23	180.0°	90.0°
C4B	CHC	C1C	C2C	175.8°	90.0°
C4B	CHC	C1C	NC	3.9°	90.0°
CHC	C4B	C3B	H22	0.0°	90.0°
NB	MG	NC	C1C	2.3°	90.0°
NB	MG	NC	C4C	172.3°	90.0°
NB	MG	NC	ND	158.6°	90.0°
NB	MG	ND	C1D	96.7°	90.0°
NB	MG	ND	C4D	107.6°	90.0°
CHC	C1C	C2C	NC	179.8°	90.0°
CHC	C1C	C2C	C3C	179.9°	90.0°
CHC	C1C	NC	C4C	180.0°	90.0°
CHC	C1C	NC	MG	4.3°	90.0°
C1C	C2C	C3C	C4C	0.0°	90.0°
C2C	C1C	NC	C4C	0.3°	90.0°
C2C	C1C	NC	MG	175.4°	90.0°
C1C	C2C	CMC	H4	180.0°	90.0°
C1C	C2C	CMC	H5	60.0°	90.0°
C1C	C2C	CMC	H6	60.0°	90.0°
C2C	C1C	CHC	H23	4.2°	90.0°
C1C	C2C	C3C	H24	180.0°	90.0°
NC	C1C	C2C	C3C	0.2°	90.0°
C1C	NC	C4C	C3C	0.3°	90.0°
C1C	NC	C4C	MG	176.2°	90.0°
C1C	NC	C4C	CHD	179.7°	90.0°
C1C	NC	MG	ND	160.9°	90.0°
NC	C1C	CHC	H23	176.1°	90.0°
C2C	C3C	C4C	H24	180.0°	90.0°
C2C	C3C	C4C	NC	0.2°	90.0°
C2C	C3C	C4C	CHD	179.7°	90.0°
C3C	C2C	CMC	H4	0.2°	90.0°
C3C	C2C	CMC	H5	120.2°	90.0°
C3C	C2C	CMC	H6	119.8°	90.0°
C3C	C4C	NC	CHD	179.4°	90.0°
C3C	C4C	NC	MG	175.9°	90.0°
C3C	C4C	CHD	C1D	163.9°	90.0°
C3C	C4C	CHD	H25	16.1°	90.0°
NC	C4C	CHD	C1D	15.5°	90.0°
C4C	NC	MG	ND	13.7°	90.0°
NC	C4C	C3C	H24	179.8°	90.0°
NC	C4C	CHD	H25	164.5°	90.0°
CHD	C4C	NC	MG	3.5°	90.0°
C4C	CHD	C1D	H25	180.0°	90.0°
C4C	CHD	C1D	C2D	175.8°	90.0°
C4C	CHD	C1D	ND	3.2°	90.0°
CHD	C4C	C3C	H24	0.3°	90.0°
NC	MG	ND	C1D	24.5°	90.0°
NC	MG	ND	C4D	179.9°	90.0°
CHD	C1D	C2D	ND	179.1°	90.0°
CHD	C1D	C2D	C3D	180.0°	90.0°
CHD	C1D	ND	C4D	179.9°	90.0°
CHD	C1D	ND	MG	19.6°	90.0°
C1D	C2D	C3D	C4D	0.2°	90.0°
C2D	C1D	ND	C4D	1.1°	90.0°
C2D	C1D	ND	MG	161.4°	90.0°
C1D	C2D	CMD	H10	89.9°	90.0°
C1D	C2D	CMD	H11	150.1°	90.0°
C1D	C2D	CMD	H12	30.1°	90.0°
C2D	C1D	CHD	H25	4.3°	90.0°
ND	C1D	C2D	C3D	0.9°	90.0°
C1D	ND	C4D	C3D	1.0°	90.0°
C1D	ND	C4D	MG	160.6°	90.0°
C1D	ND	C4D	CHA	179.7°	90.0°
ND	C1D	CHD	H25	176.8°	90.0°
C2D	C3D	C4D	ND	0.5°	90.0°
C2D	C3D	C4D	CHA	179.9°	90.0°
C3D	C2D	CMD	H10	89.9°	90.0°
C3D	C2D	CMD	H11	30.1°	90.0°
C3D	C2D	CMD	H12	150.1°	90.0°
C2D	C3D	CAD	H17	129.7°	90.0°
C2D	C3D	CAD	H18	11.8°	90.0°
C3D	C4D	ND	CHA	179.4°	90.0°
C3D	C4D	ND	MG	161.5°	90.0°
C4D	C3D	CAD	H17	50.6°	90.0°
C4D	C3D	CAD	H18	168.5°	90.0°
C3D	C4D	CHA	H26	7.9°	90.0°
ND	C4D	CHA	H26	171.4°	90.0°
CHA	C4D	ND	MG	19.1°	90.0°
H1	CMB	H2	H3	120.0°	90.0°
H4	CMC	H5	H6	120.0°	90.0°
H7	CMA	H8	H9	120.0°	90.0°
H10	CMD	H11	H12	120.0°	90.0°
H13	CAA	CBA	H15	39.7°	90.0°
H13	CAA	CBA	H16	78.0°	90.0°
H14	CAA	CBA	H15	78.1°	90.0°
H14	CAA	CBA	H16	164.2°	90.0°
H17	CAD	CBD	H19	27.7°	90.0°
H17	CAD	CBD	H20	144.9°	90.0°
H18	CAD	CBD	H19	145.6°	90.0°
H18	CAD	CBD	H20	97.2°	90.0°

Release date:	2015-05-20
Definition date:	2015-01-29
Last modified:	2015-05-15
Release status:	REL
Processing site:	PDBJ
Derived from:	4XKC