9PP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N9	C8	sing	1.36Å	1.40Å	Aromatic
N9	C4	sing	1.37Å	1.40Å	Aromatic
N9	C10	sing	1.46Å	1.41Å
C8	N7	doub	1.30Å	1.34Å	Aromatic
C8	H81	sing	1.08Å	1.08Å
N7	C5	sing	1.36Å	1.40Å	Aromatic
C5	C6	sing	1.41Å	1.48Å	Aromatic
C5	C4	doub	1.40Å	1.41Å	Aromatic
C6	N6	sing	1.38Å	1.26Å
C6	N1	doub	1.33Å	1.44Å	Aromatic
N6	HN61	sing	0.97Å	1.00Å
N6	HN62	sing	0.97Å	1.00Å
N1	C2	sing	1.33Å	1.41Å	Aromatic
C2	N2	sing	1.39Å	1.35Å
C2	N3	doub	1.32Å	1.38Å	Aromatic
N2	HN21	sing	0.97Å	1.00Å
N2	HN22	sing	0.97Å	1.00Å
N3	C4	sing	1.33Å	1.39Å	Aromatic
C10	C11	sing	1.53Å	1.54Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.53Å
C11	O13	sing	1.43Å	1.46Å
C11	H111	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C12	H123	sing	1.09Å	1.10Å
O13	C14	sing	1.43Å	1.47Å
P	C14	sing	1.82Å	1.56Å
P	O2P	doub	1.57Å	1.48Å
P	O3P	sing	1.57Å	1.51Å
P	O1P	sing	1.57Å	1.48Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	N9	C4	107.7°	107.4°
C8	N9	C10	127.5°	126.3°
N9	C8	N7	110.3°	110.0°
N9	C8	H81	124.9°	125.0°
C4	N9	C10	124.8°	126.3°
N9	C4	C5	105.7°	106.0°
N9	C4	N3	126.7°	134.8°
N9	C10	C11	116.0°	109.5°
N9	C10	H101	105.8°	109.5°
N9	C10	H102	107.3°	109.5°
N7	C8	H81	124.8°	125.0°
C8	N7	C5	107.2°	109.4°
N7	C5	C6	132.5°	134.6°
N7	C5	C4	109.1°	107.1°
C6	C5	C4	118.4°	118.3°
C5	C6	N6	127.7°	120.7°
C5	C6	N1	113.0°	118.6°
C5	C4	N3	127.6°	119.1°
N6	C6	N1	119.2°	120.7°
C6	N6	HN61	124.3°	120.0°
C6	N6	HN62	111.5°	120.0°
C6	N1	C2	124.0°	121.1°
HN61	N6	HN62	124.3°	119.9°
N1	C2	N2	118.3°	118.9°
N1	C2	N3	123.0°	122.3°
N2	C2	N3	118.7°	118.9°
C2	N2	HN21	125.5°	120.0°
C2	N2	HN22	109.0°	120.0°
C2	N3	C4	114.0°	120.6°
HN21	N2	HN22	125.5°	120.0°
C11	C10	H101	105.8°	109.5°
C11	C10	H102	107.3°	109.5°
C10	C11	C12	107.3°	109.5°
C10	C11	O13	109.5°	109.5°
C10	C11	H111	110.6°	109.5°
H101	C10	H102	114.8°	109.4°
C12	C11	O13	108.6°	109.4°
C12	C11	H111	111.5°	109.5°
C11	C12	H121	109.5°	109.4°
C11	C12	H122	109.5°	109.5°
C11	C12	H123	109.5°	109.5°
O13	C11	H111	109.3°	109.5°
C11	O13	C14	113.4°	106.8°
H121	C12	H122	109.5°	109.4°
H121	C12	H123	109.4°	109.5°
H122	C12	H123	109.5°	109.5°
O13	C14	P	113.4°	109.5°
O13	C14	H141	107.3°	109.5°
O13	C14	H142	108.2°	109.5°
C14	P	O2P	110.0°	109.5°
C14	P	O3P	111.8°	109.4°
C14	P	O1P	110.8°	109.5°
P	C14	H141	107.3°	109.5°
P	C14	H142	108.2°	109.5°
O2P	P	O3P	106.7°	109.5°
O2P	P	O1P	110.0°	109.5°
O3P	P	O1P	107.5°	109.5°
H141	C14	H142	112.6°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	N9	C4	C10	179.0°	179.7°
N9	C8	N7	H81	180.0°	180.0°
N9	C8	N7	C5	0.1°	0.1°
C8	N9	C4	C5	0.2°	0.4°
C8	N9	C4	N3	179.8°	179.5°
C8	N9	C10	C11	59.7°	95.0°
C8	N9	C10	H101	176.7°	145.0°
C8	N9	C10	H102	60.3°	25.0°
C4	N9	C8	N7	0.1°	0.2°
C4	N9	C8	H81	179.9°	179.8°
N9	C4	C5	N7	0.3°	0.4°
N9	C4	C5	C6	179.7°	179.8°
N9	C4	C5	N3	179.6°	179.3°
N9	C4	N3	C2	179.3°	179.6°
C4	N9	C10	C11	121.5°	84.7°
C4	N9	C10	H101	4.6°	35.3°
C4	N9	C10	H102	118.5°	155.3°
C10	N9	C8	N7	178.8°	179.9°
C10	N9	C8	H81	1.2°	0.1°
C10	N9	C4	C5	178.7°	179.9°
C10	N9	C4	N3	0.9°	0.7°
N9	C10	C11	H101	117.0°	120.0°
N9	C10	C11	H102	120.0°	120.0°
N9	C10	H101	H102	118.2°	120.0°
N9	C10	C11	C12	70.9°	175.0°
N9	C10	C11	O13	171.5°	65.0°
N9	C10	C11	H111	51.0°	55.0°
C8	N7	C5	C6	179.7°	180.0°
C8	N7	C5	C4	0.2°	0.3°
H81	C8	N7	C5	179.9°	179.9°
N7	C5	C6	C4	179.9°	179.7°
N7	C5	C6	N6	0.1°	0.0°
N7	C5	C6	N1	179.7°	179.9°
N7	C5	C4	N3	179.9°	179.7°
C5	C6	N6	N1	179.8°	179.9°
C5	C6	N6	HN61	0.0°	0.0°
C5	C6	N6	HN62	180.0°	180.0°
C5	C6	N1	C2	0.3°	0.0°
C6	C5	C4	N3	0.1°	0.5°
C4	C5	C6	N6	179.9°	179.7°
C4	C5	C6	N1	0.3°	0.3°
C5	C4	N3	C2	0.2°	0.5°
C6	N6	HN61	HN62	180.0°	180.0°
N6	C6	N1	C2	179.9°	180.0°
N1	C6	N6	HN61	179.8°	180.0°
N1	C6	N6	HN62	0.2°	0.1°
C6	N1	C2	N2	179.8°	180.0°
C6	N1	C2	N3	0.0°	0.1°
N1	C2	N2	N3	179.8°	179.9°
N1	C2	N2	HN21	0.0°	0.1°
N1	C2	N2	HN22	180.0°	179.9°
N1	C2	N3	C4	0.2°	0.2°
C2	N2	HN21	HN22	180.0°	179.9°
N2	C2	N3	C4	179.6°	179.7°
N3	C2	N2	HN21	179.8°	180.0°
N3	C2	N2	HN22	0.2°	0.1°
C11	C10	H101	H102	118.2°	120.0°
C10	C11	C12	O13	118.2°	120.0°
C10	C11	C12	H111	121.3°	120.0°
C10	C11	O13	H111	121.3°	120.0°
C10	C11	C12	H121	64.0°	60.1°
C10	C11	C12	H122	175.9°	180.0°
C10	C11	C12	H123	55.9°	60.0°
C10	C11	O13	C14	86.4°	150.0°
H101	C10	C11	C12	46.1°	55.0°
H101	C10	C11	O13	71.5°	174.9°
H101	C10	C11	H111	168.0°	65.0°
H102	C10	C11	C12	169.2°	65.0°
H102	C10	C11	O13	51.6°	55.0°
H102	C10	C11	H111	69.0°	175.0°
C12	C11	O13	H111	121.8°	120.0°
C11	C12	H121	H122	120.0°	119.9°
C11	C12	H121	H123	120.0°	120.0°
C11	C12	H122	H123	120.0°	120.1°
C12	C11	O13	C14	156.8°	90.0°
O13	C11	C12	H121	54.2°	180.0°
O13	C11	C12	H122	65.8°	60.1°
O13	C11	C12	H123	174.2°	60.0°
C11	O13	C14	P	162.1°	75.0°
C11	O13	C14	H141	43.8°	165.0°
C11	O13	C14	H142	77.9°	45.0°
H111	C11	C12	H121	174.7°	60.0°
H111	C11	C12	H122	54.7°	59.9°
H111	C11	C12	H123	65.3°	NaN°
H111	C11	O13	C14	35.0°	30.0°
H121	C12	H122	H123	120.0°	120.0°
O13	C14	P	H141	118.3°	120.0°
O13	C14	P	H142	120.0°	120.0°
O13	C14	P	O2P	175.4°	60.0°
O13	C14	P	O3P	57.1°	180.0°
O13	C14	P	O1P	62.8°	60.0°
O13	C14	H141	H142	118.9°	120.0°
C14	P	O2P	O3P	121.4°	120.0°
C14	P	O2P	O1P	122.2°	120.0°
C14	P	O3P	O1P	121.8°	120.0°
P	C14	H141	H142	118.9°	120.0°
O2P	P	O3P	O1P	118.0°	120.0°
O2P	P	C14	H141	57.1°	60.0°
O2P	P	C14	H142	64.6°	180.0°
O3P	P	C14	H141	61.2°	60.0°
O3P	P	C14	H142	177.1°	60.0°
O1P	P	C14	H141	178.9°	180.0°
O1P	P	C14	H142	57.2°	60.0°

Definition date:	2002-06-14
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1LV8