CDG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.57Å
C1	O1	sing	1.43Å	1.46Å
C1	O5	sing	1.42Å	1.48Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.52Å	1.57Å
C2	O2	sing	1.43Å	1.43Å
C2	H2	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.55Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.55Å
C4	O4	sing	1.44Å	1.48Å
C4	H4	sing	1.09Å	1.11Å
C5	C6	sing	1.54Å	1.55Å
C5	O5	sing	1.43Å	1.46Å
C5	H5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.46Å
C6	H6C1	sing	1.09Å	1.11Å
C6	H6C2	sing	1.09Å	1.12Å
C7	C8	sing	1.51Å	1.58Å
C7	C9	sing	1.53Å	1.51Å
C7	O4	sing	1.43Å	1.49Å
C7	O6	sing	1.43Å	1.49Å
C8	O8A	sing	1.34Å	1.26Å
C8	O8B	doub	1.21Å	1.25Å
C9	H9C1	sing	1.09Å	1.11Å
C9	H9C2	sing	1.09Å	1.12Å
C9	H9C3	sing	1.09Å	1.11Å
O1	C10	sing	1.43Å	1.45Å
O2	HA	sing	0.97Å	0.95Å
O3	HB	sing	0.97Å	0.95Å
O8A	H8A	sing	0.97Å	0.95Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.12Å
C10	H103	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	111.1°	109.5°
C2	C1	O5	111.4°	109.6°
C2	C1	H1	108.1°	109.4°
C1	C2	C3	110.4°	108.7°
C1	C2	O2	109.7°	109.7°
C1	C2	H2	108.8°	109.7°
O1	C1	O5	110.1°	109.5°
O1	C1	H1	108.0°	109.4°
C1	O1	C10	117.2°	106.8°
O5	C1	H1	108.1°	109.5°
C1	O5	C5	116.4°	108.0°
C3	C2	O2	110.3°	109.6°
C3	C2	H2	108.8°	109.6°
C2	C3	C4	110.9°	109.5°
C2	C3	O3	110.8°	109.1°
C2	C3	H3	108.7°	109.6°
O2	C2	H2	108.8°	109.6°
C2	O2	HA	109.7°	106.8°
C4	C3	O3	108.8°	109.6°
C4	C3	H3	108.7°	109.6°
C3	C4	C5	109.8°	110.1°
C3	C4	O4	109.2°	110.4°
C3	C4	H4	109.4°	109.3°
O3	C3	H3	108.8°	109.5°
C3	O3	HB	110.8°	106.8°
C5	C4	O4	109.5°	108.5°
C5	C4	H4	109.4°	109.3°
C4	C5	C6	108.0°	108.6°
C4	C5	O5	109.4°	109.8°
C4	C5	H5	109.9°	109.9°
O4	C4	H4	109.5°	109.3°
C4	O4	C7	118.8°	107.3°
C6	C5	O5	109.7°	108.5°
C6	C5	H5	109.9°	110.0°
C5	C6	O6	111.8°	108.7°
C5	C6	H6C1	111.4°	109.6°
C5	C6	H6C2	111.4°	109.6°
O5	C5	H5	109.9°	110.0°
O6	C6	H6C1	111.4°	109.6°
O6	C6	H6C2	111.4°	109.6°
C6	O6	C7	119.3°	107.4°
H6C1	C6	H6C2	99.0°	109.7°
C8	C7	C9	100.8°	109.2°
C8	C7	O4	105.1°	109.3°
C8	C7	O6	106.7°	109.2°
C7	C8	O8A	119.3°	120.0°
C7	C8	O8B	119.4°	120.0°
C9	C7	O4	117.2°	109.3°
C9	C7	O6	114.7°	109.2°
C7	C9	H9C1	117.2°	109.5°
C7	C9	H9C2	109.4°	109.5°
C7	C9	H9C3	109.4°	109.5°
O4	C7	O6	110.7°	110.6°
O8A	C8	O8B	121.2°	120.0°
C8	O8A	H8A	119.3°	120.0°
H9C1	C9	H9C2	109.4°	109.4°
H9C1	C9	H9C3	109.4°	109.5°
H9C2	C9	H9C3	100.7°	109.5°
O1	C10	H101	117.2°	109.5°
O1	C10	H102	109.4°	109.4°
O1	C10	H103	109.4°	109.5°
H101	C10	H102	109.4°	109.5°
H101	C10	H103	109.4°	109.5°
H102	C10	H103	100.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	123.8°	120.1°
C2	C1	O1	H1	118.4°	119.8°
C2	C1	O5	H1	118.6°	119.9°
C1	C2	C3	O2	121.4°	119.9°
C1	C2	C3	H2	119.3°	119.8°
C1	C2	O2	H2	118.9°	120.4°
C1	C2	C3	C4	52.3°	53.5°
C1	C2	C3	O3	173.2°	173.3°
C1	C2	C3	H3	67.3°	66.7°
C2	C1	O5	C5	54.5°	68.3°
C2	C1	O1	C10	83.7°	180.0°
C1	C2	O2	HA	180.0°	60.8°
O1	C1	O5	H1	117.8°	120.0°
O1	C1	C2	C3	172.4°	177.6°
O1	C1	C2	O2	65.8°	57.7°
O1	C1	C2	H2	53.1°	62.7°
O1	C1	O5	C5	178.2°	171.6°
C1	O1	C10	H101	180.0°	180.0°
C1	O1	C10	H102	54.7°	60.1°
C1	O1	C10	H103	54.7°	59.9°
O5	C1	C2	C3	49.3°	62.3°
O5	C1	C2	O2	171.1°	177.9°
O5	C1	C2	H2	70.0°	57.5°
C1	O5	C5	C4	58.5°	66.0°
C1	O5	C5	C6	176.7°	175.5°
C1	O5	C5	H5	62.4°	55.1°
O5	C1	O1	C10	40.1°	59.9°
H1	C1	C2	C3	69.2°	57.7°
H1	C1	C2	O2	52.6°	62.1°
H1	C1	C2	H2	171.5°	177.5°
H1	C1	O5	C5	64.0°	51.6°
H1	C1	O1	C10	157.9°	60.1°
C3	C2	O2	H2	119.3°	120.3°
C2	C3	C4	O3	122.2°	119.6°
C2	C3	C4	H3	119.5°	120.2°
C2	C3	O3	H3	119.5°	120.0°
C2	C3	C4	C5	56.8°	52.1°
C2	C3	C4	O4	63.2°	67.7°
C2	C3	C4	H4	177.0°	172.1°
C3	C2	O2	HA	58.2°	179.9°
C2	C3	O3	HB	180.0°	60.2°
O2	C2	C3	C4	173.7°	173.3°
O2	C2	C3	O3	65.3°	66.8°
O2	C2	C3	H3	54.2°	53.1°
H2	C2	C3	C4	67.0°	66.4°
H2	C2	C3	O3	54.0°	53.5°
H2	C2	C3	H3	173.5°	173.4°
H2	C2	O2	HA	61.1°	59.7°
C4	C3	O3	H3	118.3°	120.2°
C3	C4	C5	O4	119.9°	120.9°
C3	C4	C5	H4	120.2°	120.0°
C3	C4	O4	H4	119.8°	120.2°
C3	C4	C5	C6	177.1°	176.8°
C3	C4	C5	O5	57.8°	58.3°
C3	C4	C5	H5	63.0°	62.8°
C3	C4	O4	C7	173.5°	178.1°
C4	C3	O3	HB	57.8°	180.0°
O3	C3	C4	C5	179.0°	171.6°
O3	C3	C4	O4	58.9°	51.9°
O3	C3	C4	H4	60.9°	68.4°
H3	C3	C4	C5	62.7°	68.2°
H3	C3	C4	O4	177.2°	172.1°
H3	C3	C4	H4	57.4°	51.8°
H3	C3	O3	HB	60.5°	59.8°
C5	C4	O4	H4	120.0°	119.1°
C4	C5	C6	O5	119.1°	119.3°
C4	C5	C6	H5	119.9°	120.4°
C4	C5	O5	H5	120.8°	121.1°
C4	C5	C6	O6	55.6°	56.0°
C4	C5	C6	H6C1	69.7°	175.8°
C4	C5	C6	H6C2	179.2°	63.8°
C5	C4	O4	C7	53.2°	61.2°
O4	C4	C5	C6	57.3°	55.9°
O4	C4	C5	O5	62.0°	62.6°
O4	C4	C5	H5	177.2°	176.3°
C4	O4	C7	C8	73.4°	51.3°
C4	O4	C7	C9	175.6°	170.7°
C4	O4	C7	O6	41.4°	69.0°
H4	C4	C5	C6	62.7°	63.2°
H4	C4	C5	O5	178.0°	178.3°
H4	C4	C5	H5	57.2°	57.2°
H4	C4	O4	C7	66.7°	57.9°
C6	C5	O5	H5	120.9°	120.4°
C5	C6	O6	H6C1	125.3°	119.7°
C5	C6	O6	H6C2	125.3°	119.8°
C5	C6	H6C1	H6C2	117.3°	120.4°
C5	C6	O6	C7	48.3°	61.1°
O5	C5	C6	O6	63.6°	63.3°
O5	C5	C6	H6C1	171.2°	56.5°
O5	C5	C6	H6C2	61.7°	176.9°
H5	C5	C6	O6	175.5°	176.4°
H5	C5	C6	H6C1	50.2°	63.9°
H5	C5	C6	H6C2	59.2°	56.6°
O6	C6	H6C1	H6C2	117.3°	120.4°
C6	O6	C7	C8	75.3°	51.2°
C6	O6	C7	C9	174.0°	170.7°
C6	O6	C7	O4	38.6°	69.0°
H6C1	C6	O6	C7	77.0°	179.2°
H6C2	C6	O6	C7	173.5°	58.7°
C8	C7	C9	O4	113.4°	119.5°
C8	C7	C9	O6	114.2°	119.4°
C8	C7	O4	O6	114.9°	120.3°
C7	C8	O8A	O8B	177.4°	179.9°
C8	C7	C9	H9C1	66.6°	59.5°
C8	C7	C9	H9C2	168.1°	60.5°
C8	C7	C9	H9C3	58.6°	179.5°
C7	C8	O8A	H8A	180.0°	179.9°
C9	C7	O4	O6	134.2°	120.3°
C9	C7	C8	O8A	98.3°	87.0°
C9	C7	C8	O8B	84.3°	93.0°
C7	C9	H9C1	H9C2	125.3°	120.1°
C7	C9	H9C1	H9C3	125.3°	120.0°
C7	C9	H9C2	H9C3	115.2°	120.0°
O4	C7	C8	O8A	24.0°	32.5°
O4	C7	C8	O8B	153.5°	147.5°
O4	C7	C9	H9C1	180.0°	179.0°
O4	C7	C9	H9C2	54.7°	59.0°
O4	C7	C9	H9C3	54.7°	61.0°
O6	C7	C8	O8A	141.6°	153.6°
O6	C7	C8	O8B	35.9°	26.5°
O6	C7	C9	H9C1	47.6°	60.0°
O6	C7	C9	H9C2	77.7°	179.9°
O6	C7	C9	H9C3	172.9°	60.0°
O8B	C8	O8A	H8A	2.6°	0.1°
H9C1	C9	H9C2	H9C3	115.2°	119.9°
O1	C10	H101	H102	125.3°	119.9°
O1	C10	H101	H103	125.3°	120.1°
O1	C10	H102	H103	115.2°	120.0°
H101	C10	H102	H103	115.2°	120.0°

Definition date:	2002-04-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1GYK