8OP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	O1P	sing	1.61Å	1.58Å
P	O2P	doub	1.48Å	1.56Å
P	O3P	sing	1.61Å	1.57Å
P	O50	sing	1.61Å	1.63Å
O50	C50	sing	1.43Å	1.41Å
C50	C40	sing	1.53Å	1.52Å
C40	O40	sing	1.44Å	1.44Å
C40	C30	sing	1.54Å	1.51Å
O40	C10	sing	1.44Å	1.42Å
C30	O30	sing	1.43Å	1.43Å
C30	C20	sing	1.55Å	1.53Å
C20	O20	sing	1.43Å	1.41Å
C20	C10	sing	1.55Å	1.52Å
C10	N9	sing	1.47Å	1.50Å
N9	C8	sing	1.35Å	1.43Å
N9	C4	sing	1.38Å	1.43Å
C8	O8	doub	1.22Å	1.26Å
C8	N7	sing	1.35Å	1.43Å
N7	C5	sing	1.39Å	1.44Å
C5	C6	doub	1.39Å	1.39Å	Aromatic
C5	C4	sing	1.40Å	1.40Å	Aromatic
C6	N6	sing	1.39Å	1.40Å
C6	N1	sing	1.33Å	1.34Å	Aromatic
N1	C2	doub	1.32Å	1.35Å	Aromatic
C2	N3	sing	1.32Å	1.34Å	Aromatic
N3	C4	doub	1.33Å	1.36Å	Aromatic
O1P	HO1P	sing	0.97Å	0.95Å
O3P	HO3P	sing	0.97Å	0.95Å
C50	H50	sing	1.09Å	1.10Å
C50	H50A	sing	1.09Å	1.10Å
C40	H40	sing	1.09Å	1.10Å
C30	H30	sing	1.09Å	1.10Å
O30	HO30	sing	0.97Å	0.95Å
C20	H20	sing	1.09Å	1.10Å
O20	HO20	sing	0.97Å	0.95Å
C10	H10	sing	1.09Å	1.10Å
N7	HN7	sing	0.97Å	1.00Å
N6	HN6	sing	0.97Å	1.00Å
N6	HN6A	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1P	P	O2P	112.8°	109.5°
O1P	P	O3P	113.9°	109.5°
O1P	P	O50	103.8°	109.4°
P	O1P	HO1P	109.5°	114.0°
O2P	P	O3P	116.2°	109.5°
O2P	P	O50	103.1°	109.4°
O3P	P	O50	105.3°	109.5°
P	O3P	HO3P	109.5°	114.0°
P	O50	C50	120.2°	123.0°
O50	C50	C40	104.9°	109.5°
O50	C50	H50	111.0°	109.5°
O50	C50	H50A	111.0°	109.5°
C50	C40	O40	113.8°	109.8°
C50	C40	C30	110.0°	109.8°
C40	C50	H50	111.0°	109.5°
C40	C50	H50A	111.0°	109.4°
C50	C40	H40	104.3°	109.9°
O40	C40	C30	103.1°	107.3°
C40	O40	C10	106.4°	107.0°
O40	C40	H40	111.1°	109.9°
C40	C30	O30	110.1°	110.5°
C40	C30	C20	96.1°	104.1°
C30	C40	H40	114.8°	110.1°
C40	C30	H30	119.5°	110.5°
O40	C10	C20	104.0°	103.5°
O40	C10	N9	109.8°	110.6°
O40	C10	H10	114.1°	110.7°
O30	C30	C20	115.2°	110.5°
O30	C30	H30	101.8°	110.4°
C30	O30	HO30	109.5°	114.0°
C30	C20	O20	106.0°	110.9°
C30	C20	C10	106.3°	102.1°
C20	C30	H30	114.8°	110.6°
C30	C20	H20	113.4°	110.9°
O20	C20	C10	108.6°	110.9°
O20	C20	H20	111.3°	110.8°
C20	O20	HO20	109.5°	114.0°
C20	C10	N9	113.1°	110.6°
C10	C20	H20	111.0°	111.0°
C20	C10	H10	110.9°	110.6°
C10	N9	C8	127.2°	125.7°
C10	N9	C4	125.7°	125.7°
N9	C10	H10	105.1°	110.7°
C8	N9	C4	105.4°	108.6°
N9	C8	O8	124.7°	125.2°
N9	C8	N7	110.8°	109.6°
N9	C4	C5	109.7°	106.8°
N9	C4	N3	126.6°	134.2°
O8	C8	N7	124.4°	125.2°
C8	N7	C5	104.7°	108.1°
C8	N7	HN7	127.6°	126.0°
N7	C5	C6	133.2°	134.5°
N7	C5	C4	109.4°	106.9°
C5	N7	HN7	127.6°	126.0°
C6	C5	C4	117.5°	118.6°
C5	C6	N6	124.6°	120.7°
C5	C6	N1	118.0°	118.6°
C5	C4	N3	123.7°	119.0°
N6	C6	N1	117.3°	120.8°
C6	N6	HN6	109.5°	120.0°
C6	N6	HN6A	109.4°	119.9°
C6	N1	C2	122.1°	121.0°
N1	C2	N3	123.5°	122.2°
N1	C2	H2	118.3°	118.8°
C2	N3	C4	115.2°	120.6°
N3	C2	H2	118.2°	118.9°
H50	C50	H50A	107.9°	109.4°
HN6	N6	HN6A	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1P	P	O2P	O3P	134.1°	120.0°
O1P	P	O2P	O50	111.3°	119.9°
O1P	P	O3P	O50	113.1°	120.0°
O1P	P	O50	C50	75.7°	65.0°
O1P	P	O3P	HO3P	133.6°	60.0°
O2P	P	O3P	O50	113.3°	120.0°
O2P	P	O50	C50	166.5°	55.0°
O2P	P	O1P	HO1P	0.0°	179.9°
O2P	P	O3P	HO3P	0.0°	60.0°
O3P	P	O50	C50	44.3°	175.0°
O3P	P	O1P	HO1P	135.2°	60.0°
P	O50	C50	C40	162.2°	180.0°
O50	P	O1P	HO1P	110.9°	60.0°
O50	P	O3P	HO3P	113.3°	180.0°
P	O50	C50	H50	77.8°	59.9°
P	O50	C50	H50A	42.2°	60.0°
O50	C50	C40	H50	120.0°	120.1°
O50	C50	C40	H50A	120.0°	120.0°
O50	C50	C40	O40	55.7°	66.5°
O50	C50	C40	C30	170.8°	175.7°
O50	C50	H50	H50A	121.8°	120.0°
O50	C50	C40	H40	65.5°	54.5°
C50	C40	O40	C30	119.1°	119.4°
C50	C40	O40	H40	117.4°	121.0°
C50	C40	C30	H40	117.3°	121.1°
C50	C40	O40	C10	164.0°	146.0°
C50	C40	C30	O30	71.1°	119.9°
C50	C40	C30	C20	169.2°	121.4°
C40	C50	H50	H50A	121.8°	119.9°
C50	C40	C30	H30	46.2°	2.6°
O40	C40	C30	H40	121.0°	119.6°
O40	C40	C30	O30	167.2°	120.7°
O40	C40	C30	C20	47.5°	2.1°
C40	O40	C10	C20	20.5°	40.1°
C40	O40	C10	N9	141.8°	158.6°
O40	C40	C50	H50	64.2°	53.6°
O40	C40	C50	H50A	175.8°	173.5°
O40	C40	C30	H30	75.5°	116.7°
C40	O40	C10	H10	100.5°	78.4°
C30	C40	O40	C10	44.9°	26.6°
C40	C30	O30	C20	107.3°	114.7°
C40	C30	O30	H30	127.8°	122.6°
C40	C30	C20	H30	126.5°	118.8°
C40	C30	C20	O20	80.5°	139.1°
C40	C30	C20	C10	35.0°	20.9°
C30	C40	C50	H50	50.8°	64.2°
C30	C40	C50	H50A	69.1°	55.7°
C40	C30	O30	HO30	180.0°	179.9°
C40	C30	C20	H20	157.2°	97.4°
O40	C10	C20	C30	10.6°	37.1°
O40	C10	C20	O20	103.1°	155.2°
O40	C10	C20	N9	119.1°	118.5°
O40	C10	C20	H10	123.0°	118.6°
O40	C10	N9	H10	123.2°	123.0°
O40	C10	N9	C8	79.7°	53.5°
O40	C10	N9	C4	82.8°	126.8°
C10	O40	C40	H40	78.6°	93.1°
O40	C10	C20	H20	134.3°	81.1°
O30	C30	C20	H30	117.9°	122.6°
O30	C30	C20	O20	35.1°	20.4°
O30	C30	C20	C10	150.6°	97.8°
O30	C30	C40	H40	46.2°	1.2°
O30	C30	C20	H20	87.2°	143.9°
C30	C20	O20	C10	113.9°	112.7°
C30	C20	O20	H20	123.7°	123.6°
C30	C20	C10	H20	123.7°	118.2°
C30	C20	C10	N9	108.5°	155.5°
C20	C30	C40	H40	73.5°	117.5°
C20	C30	O30	HO30	72.8°	65.2°
C30	C20	O20	HO20	180.0°	61.5°
C30	C20	C10	H10	133.6°	81.5°
O20	C20	C10	H20	122.6°	123.6°
O20	C20	C10	N9	137.8°	86.3°
O20	C20	C30	H30	153.0°	102.2°
O20	C20	C10	H10	20.0°	36.6°
C20	C10	N9	H10	121.2°	122.9°
C20	C10	N9	C8	36.0°	60.5°
C20	C10	N9	C4	161.6°	119.2°
C10	C20	C30	H30	91.5°	139.6°
C10	C20	O20	HO20	66.1°	174.2°
C10	N9	C8	C4	165.3°	179.7°
C10	N9	C8	O8	15.7°	0.1°
C10	N9	C8	N7	167.6°	180.0°
C10	N9	C4	C5	166.4°	179.9°
C10	N9	C4	N3	10.9°	0.8°
N9	C10	C20	H20	15.2°	37.3°
N9	C8	O8	N7	176.3°	179.9°
N9	C8	N7	C5	2.8°	0.0°
C8	N9	C4	C5	0.8°	0.4°
C8	N9	C4	N3	176.5°	179.5°
C8	N9	C10	H10	157.1°	176.6°
N9	C8	N7	HN7	177.2°	180.0°
C4	N9	C8	O8	179.0°	179.7°
C4	N9	C8	N7	2.3°	0.3°
N9	C4	C5	N7	0.9°	0.4°
N9	C4	C5	C6	179.6°	179.8°
N9	C4	C5	N3	177.4°	179.3°
N9	C4	N3	C2	178.0°	179.6°
C4	N9	C10	H10	40.4°	3.7°
O8	C8	N7	C5	179.5°	179.9°
O8	C8	N7	HN7	0.5°	0.1°
C8	N7	C5	HN7	180.0°	180.0°
C8	N7	C5	C6	178.4°	180.0°
C8	N7	C5	C4	2.2°	0.2°
N7	C5	C6	C4	179.4°	179.7°
N7	C5	C6	N6	1.4°	0.1°
N7	C5	C6	N1	179.2°	180.0°
N7	C5	C4	N3	178.3°	179.7°
C5	C6	N6	N1	177.8°	179.9°
C5	C6	N1	C2	0.3°	0.0°
C6	C5	C4	N3	2.2°	0.5°
C6	C5	N7	HN7	1.6°	0.0°
C5	C6	N6	HN6	177.8°	0.1°
C5	C6	N6	HN6A	57.8°	180.0°
C4	C5	C6	N6	179.2°	179.7°
C4	C5	C6	N1	1.4°	0.2°
C5	C4	N3	C2	1.0°	0.6°
C4	C5	N7	HN7	177.8°	179.7°
N6	C6	N1	C2	177.6°	179.9°
C6	N6	HN6	HN6A	120.0°	179.9°
C6	N1	C2	N3	1.6°	0.0°
N1	C6	N6	HN6	0.0°	180.0°
N1	C6	N6	HN6A	120.0°	0.1°
C6	N1	C2	H2	178.4°	179.9°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.9°	0.4°
C4	N3	C2	H2	179.1°	179.7°
H50	C50	C40	H40	174.5°	174.6°
H50A	C50	C40	H40	54.5°	65.5°
H40	C40	C30	H30	163.5°	123.7°
H30	C30	O30	HO30	52.2°	57.4°
H30	C30	C20	H20	30.7°	21.4°
H20	C20	O20	HO20	56.3°	62.1°
H20	C20	C10	H10	102.7°	160.3°

Definition date:	2010-05-19
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3MWK