GD8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C4	sing	1.53Å	1.53Å
C4	C6	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.52Å
C4	C2	sing	1.53Å	1.57Å
C2	C3	sing	1.53Å	1.55Å
C2	O2	sing	1.43Å	1.47Å
O2	P	sing	1.61Å	1.67Å
P	C1	sing	1.82Å	1.80Å
P	O1	doub	1.48Å	1.49Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C5	H5B	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C3	H3B	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
P	H1P	sing	1.42Å	1.42Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C4	C6	109.3°	109.5°
C7	C4	C5	108.8°	109.5°
C7	C4	C2	109.0°	109.4°
C4	C7	H7	109.5°	109.5°
C4	C7	H7A	109.5°	109.5°
C4	C7	H7B	109.4°	109.4°
C6	C4	C5	107.7°	109.5°
C6	C4	C2	111.5°	109.5°
C4	C6	H6	109.5°	109.5°
C4	C6	H6A	109.5°	109.4°
C4	C6	H6B	109.4°	109.6°
C5	C4	C2	110.5°	109.5°
C4	C5	H5	109.5°	109.4°
C4	C5	H5A	109.5°	109.4°
C4	C5	H5B	109.4°	109.5°
C4	C2	C3	107.6°	109.5°
C4	C2	O2	110.5°	109.4°
C4	C2	H2	111.9°	109.5°
C3	C2	O2	114.5°	109.4°
C3	C2	H2	107.7°	109.5°
C2	C3	H3	109.5°	109.5°
C2	C3	H3A	109.4°	109.4°
C2	C3	H3B	109.5°	109.5°
C2	O2	P	132.7°	123.0°
O2	C2	H2	104.6°	109.5°
O2	P	C1	103.8°	109.5°
O2	P	O1	115.0°	109.5°
O2	P	H1P	109.9°	109.4°
C1	P	O1	110.0°	109.5°
P	C1	H1	109.5°	109.5°
P	C1	H1A	109.5°	109.5°
P	C1	H1B	109.5°	109.5°
C1	P	H1P	114.9°	109.4°
O1	P	H1P	103.6°	109.5°
H7	C7	H7A	109.5°	109.5°
H7	C7	H7B	109.5°	109.4°
H7A	C7	H7B	109.5°	109.5°
H6	C6	H6A	109.5°	109.4°
H6	C6	H6B	109.5°	109.4°
H6A	C6	H6B	109.5°	109.5°
H5	C5	H5A	109.5°	109.5°
H5	C5	H5B	109.5°	109.5°
H5A	C5	H5B	109.5°	109.5°
H3	C3	H3A	109.5°	109.5°
H3	C3	H3B	109.5°	109.5°
H3A	C3	H3B	109.5°	109.5°
H1	C1	H1A	109.4°	109.4°
H1	C1	H1B	109.5°	109.4°
H1A	C1	H1B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C4	C6	C5	118.1°	120.0°
C7	C4	C6	C2	120.6°	119.9°
C7	C4	C5	C2	119.6°	120.0°
C7	C4	C2	C3	39.3°	60.0°
C7	C4	C2	O2	86.4°	180.0°
C4	C7	H7	H7A	120.0°	120.0°
C4	C7	H7	H7B	120.0°	119.9°
C4	C7	H7A	H7B	120.0°	120.0°
C7	C4	C6	H6	37.6°	60.1°
C7	C4	C6	H6A	82.5°	180.0°
C7	C4	C6	H6B	157.5°	60.0°
C7	C4	C5	H5	98.7°	60.0°
C7	C4	C5	H5A	21.4°	180.0°
C7	C4	C5	H5B	141.4°	60.0°
C7	C4	C2	H2	157.4°	60.1°
C6	C4	C5	C2	122.0°	120.0°
C6	C4	C2	C3	160.0°	59.9°
C6	C4	C2	O2	34.3°	60.0°
C6	C4	C7	H7	61.2°	59.9°
C6	C4	C7	H7A	58.7°	180.0°
C6	C4	C7	H7B	178.8°	60.0°
C4	C6	H6	H6A	120.0°	119.9°
C4	C6	H6	H6B	120.0°	120.1°
C4	C6	H6A	H6B	120.0°	120.1°
C6	C4	C5	H5	19.7°	180.0°
C6	C4	C5	H5A	139.7°	60.0°
C6	C4	C5	H5B	100.3°	60.0°
C6	C4	C2	H2	81.9°	180.0°
C5	C4	C2	C3	80.3°	180.0°
C5	C4	C2	O2	154.0°	60.0°
C5	C4	C7	H7	56.1°	180.0°
C5	C4	C7	H7A	176.1°	60.0°
C5	C4	C7	H7B	63.9°	60.0°
C5	C4	C6	H6	155.6°	60.0°
C5	C4	C6	H6A	35.6°	60.0°
C5	C4	C6	H6B	84.4°	180.0°
C4	C5	H5	H5A	120.0°	119.9°
C4	C5	H5	H5B	120.0°	120.0°
C4	C5	H5A	H5B	120.0°	120.0°
C5	C4	C2	H2	37.9°	59.9°
C4	C2	C3	O2	123.3°	120.0°
C4	C2	C3	H2	120.8°	120.0°
C4	C2	O2	H2	120.6°	120.0°
C4	C2	O2	P	175.2°	120.0°
C2	C4	C7	H7	176.6°	60.0°
C2	C4	C7	H7A	63.4°	60.0°
C2	C4	C7	H7B	56.7°	180.0°
C2	C4	C6	H6	83.0°	180.0°
C2	C4	C6	H6A	156.9°	60.1°
C2	C4	C6	H6B	36.9°	59.9°
C2	C4	C5	H5	141.7°	59.9°
C2	C4	C5	H5A	98.3°	60.0°
C2	C4	C5	H5B	21.7°	180.0°
C4	C2	C3	H3	13.1°	180.0°
C4	C2	C3	H3A	106.9°	60.0°
C4	C2	C3	H3B	133.1°	60.0°
C3	C2	O2	H2	117.7°	120.0°
C3	C2	O2	P	63.1°	120.0°
C2	C3	H3	H3A	120.0°	120.0°
C2	C3	H3	H3B	120.0°	120.0°
C2	C3	H3A	H3B	120.0°	120.0°
C2	O2	P	C1	127.5°	180.0°
C2	O2	P	O1	7.2°	60.0°
O2	C2	C3	H3	136.4°	60.0°
O2	C2	C3	H3A	16.4°	180.0°
O2	C2	C3	H3B	103.6°	60.0°
C2	O2	P	H1P	109.2°	60.0°
O2	P	C1	O1	123.6°	120.1°
O2	P	C1	H1P	120.0°	119.9°
O2	P	O1	H1P	119.9°	120.0°
P	O2	C2	H2	54.6°	0.0°
O2	P	C1	H1	179.6°	60.0°
O2	P	C1	H1A	60.4°	180.0°
O2	P	C1	H1B	59.6°	60.0°
C1	P	O1	H1P	123.3°	120.0°
P	C1	H1	H1A	120.0°	120.0°
P	C1	H1	H1B	120.0°	120.0°
P	C1	H1A	H1B	120.0°	120.1°
O1	P	C1	H1	56.0°	60.0°
O1	P	C1	H1A	176.0°	59.9°
O1	P	C1	H1B	64.0°	180.0°
H7	C7	H7A	H7B	120.0°	120.0°
H6	C6	H6A	H6B	120.0°	119.9°
H5	C5	H5A	H5B	120.0°	120.1°
H2	C2	C3	H3	107.7°	60.0°
H2	C2	C3	H3A	132.3°	60.0°
H2	C2	C3	H3B	12.3°	180.0°
H3	C3	H3A	H3B	120.0°	120.0°
H1	C1	H1A	H1B	120.0°	119.9°
H1	C1	P	H1P	60.4°	180.0°
H1A	C1	P	H1P	59.6°	60.1°
H1B	C1	P	H1P	179.6°	60.0°

Definition date:	2009-04-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2WFZ