25H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	sing	1.35Å	1.36Å
N1	C2	sing	1.36Å	1.36Å
C8	N7	doub	1.30Å	1.36Å	Aromatic
C8	N9	sing	1.36Å	1.36Å	Aromatic
C6	C5	sing	1.41Å	1.40Å
C6	O6	doub	1.22Å	1.32Å
N7	C5	sing	1.35Å	1.36Å	Aromatic
C5	C4	doub	1.40Å	1.40Å	Aromatic
C2	N3	doub	1.31Å	1.36Å
C2	N2	sing	1.37Å	1.36Å
OAD	PAT	sing	1.61Å	1.52Å
PAT	OAE	sing	1.61Å	1.52Å
PAT	OAC	doub	1.48Å	1.51Å
PAT	CAJ	sing	1.82Å	1.82Å
CAJ	CAH	sing	1.53Å	1.53Å
CAH	OAN	sing	1.43Å	1.44Å
OAN	CAG	sing	1.43Å	1.43Å
CAG	CAI	sing	1.53Å	1.52Å
CAI	N9	sing	1.46Å	1.48Å
N9	C4	sing	1.37Å	1.34Å	Aromatic
C4	N3	sing	1.34Å	1.36Å
N1	HN1	sing	0.97Å	1.00Å
C8	H8	sing	1.08Å	1.08Å
OAD	HOAD	sing	0.97Å	0.95Å
OAE	HOAE	sing	0.97Å	0.95Å
CAJ	HAJ	sing	1.09Å	1.10Å
CAJ	HAJA	sing	1.09Å	1.10Å
CAH	HAH	sing	1.09Å	1.10Å
CAH	HAHA	sing	1.09Å	1.10Å
CAG	HAG	sing	1.09Å	1.10Å
CAG	HAGA	sing	1.09Å	1.10Å
CAI	HAI	sing	1.09Å	1.10Å
CAI	HAIA	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
N2	HN2A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N1	C2	120.8°	120.3°
N1	C6	C5	119.2°	118.4°
N1	C6	O6	119.4°	120.8°
C6	N1	HN1	119.6°	119.9°
N1	C2	N3	120.7°	121.9°
N1	C2	N2	119.7°	119.0°
C2	N1	HN1	119.6°	119.8°
N7	C8	N9	110.2°	109.8°
C8	N7	C5	106.7°	109.4°
N7	C8	H8	124.9°	125.1°
C8	N9	CAI	126.4°	126.2°
C8	N9	C4	107.4°	107.5°
N9	C8	H8	124.9°	125.1°
C5	C6	O6	121.3°	120.8°
C6	C5	N7	133.5°	134.1°
C6	C5	C4	118.9°	118.5°
N7	C5	C4	107.7°	107.3°
C5	C4	N9	108.1°	106.1°
C5	C4	N3	119.7°	119.8°
N3	C2	N2	119.5°	119.0°
C2	N3	C4	120.5°	121.1°
C2	N2	HN2	110.0°	120.0°
C2	N2	HN2A	125.0°	120.0°
OAD	PAT	OAE	115.5°	109.5°
OAD	PAT	OAC	111.9°	109.5°
OAD	PAT	CAJ	106.4°	109.4°
PAT	OAD	HOAD	109.5°	114.0°
OAE	PAT	OAC	111.8°	109.5°
OAE	PAT	CAJ	105.0°	109.5°
PAT	OAE	HOAE	109.5°	114.0°
OAC	PAT	CAJ	105.4°	109.5°
PAT	CAJ	CAH	108.9°	109.5°
PAT	CAJ	HAJ	109.7°	109.5°
PAT	CAJ	HAJA	109.8°	109.5°
CAJ	CAH	OAN	110.7°	109.5°
CAH	CAJ	HAJ	109.7°	109.5°
CAH	CAJ	HAJA	109.8°	109.4°
CAJ	CAH	HAH	109.0°	109.4°
CAJ	CAH	HAHA	108.8°	109.5°
CAH	OAN	CAG	112.8°	114.0°
OAN	CAH	HAH	109.1°	109.5°
OAN	CAH	HAHA	108.8°	109.5°
OAN	CAG	CAI	109.9°	109.5°
OAN	CAG	HAG	109.3°	109.5°
OAN	CAG	HAGA	109.2°	109.4°
CAG	CAI	N9	113.0°	109.5°
CAI	CAG	HAG	109.3°	109.4°
CAI	CAG	HAGA	109.2°	109.5°
CAG	CAI	HAI	108.3°	109.4°
CAG	CAI	HAIA	107.5°	109.4°
CAI	N9	C4	126.2°	126.3°
N9	CAI	HAI	108.3°	109.5°
N9	CAI	HAIA	107.5°	109.5°
N9	C4	N3	132.2°	134.2°
HAJ	CAJ	HAJA	109.0°	109.4°
HAH	CAH	HAHA	110.4°	109.5°
HAG	CAG	HAGA	109.8°	109.5°
HAI	CAI	HAIA	112.2°	109.5°
HN2	N2	HN2A	125.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	N1	C2	HN1	180.0°	179.7°
N1	C6	C5	O6	179.3°	179.9°
N1	C6	C5	N7	179.4°	179.9°
N1	C6	C5	C4	0.1°	0.0°
C6	N1	C2	N3	0.2°	0.0°
C6	N1	C2	N2	179.6°	180.0°
C2	N1	C6	C5	0.0°	0.0°
C2	N1	C6	O6	179.3°	180.0°
N1	C2	N3	N2	179.8°	180.0°
N1	C2	N3	C4	0.4°	0.0°
N1	C2	N2	HN2	0.1°	0.0°
N1	C2	N2	HN2A	179.9°	180.0°
N7	C8	N9	H8	180.0°	179.9°
C8	N7	C5	C6	179.3°	179.9°
C8	N7	C5	C4	0.0°	0.0°
N7	C8	N9	CAI	179.9°	180.0°
N7	C8	N9	C4	1.0°	0.0°
N9	C8	N7	C5	0.6°	0.0°
C8	N9	C4	C5	0.9°	0.0°
C8	N9	CAI	CAG	97.7°	95.1°
C8	N9	CAI	C4	178.8°	179.9°
C8	N9	C4	N3	179.5°	180.0°
C8	N9	CAI	HAI	142.3°	144.9°
C8	N9	CAI	HAIA	20.8°	24.9°
C6	C5	N7	C4	179.4°	179.9°
C6	C5	C4	N9	180.0°	180.0°
C6	C5	C4	N3	0.3°	0.1°
C5	C6	N1	HN1	180.0°	179.7°
O6	C6	C5	N7	0.1°	0.1°
O6	C6	C5	C4	179.2°	180.0°
O6	C6	N1	HN1	0.7°	0.3°
N7	C5	C4	N9	0.6°	0.0°
N7	C5	C4	N3	179.8°	180.0°
C5	N7	C8	H8	179.4°	179.9°
C5	C4	N3	C2	0.5°	0.1°
C5	C4	N9	CAI	179.9°	180.0°
C5	C4	N9	N3	179.6°	180.0°
C2	N3	C4	N9	180.0°	180.0°
N3	C2	N1	HN1	179.8°	179.7°
N3	C2	N2	HN2	179.9°	180.0°
N3	C2	N2	HN2A	0.1°	0.0°
N2	C2	N3	C4	179.4°	180.0°
N2	C2	N1	HN1	0.4°	0.3°
C2	N2	HN2	HN2A	180.0°	179.9°
OAD	PAT	OAE	OAC	129.4°	120.0°
OAD	PAT	OAE	CAJ	116.8°	120.0°
OAD	PAT	OAC	CAJ	115.3°	120.0°
OAD	PAT	CAJ	CAH	45.6°	65.0°
OAD	PAT	OAE	HOAE	141.9°	60.0°
OAD	PAT	CAJ	HAJ	74.4°	55.0°
OAD	PAT	CAJ	HAJA	165.8°	175.0°
OAE	PAT	OAC	CAJ	113.5°	120.0°
OAE	PAT	CAJ	CAH	77.3°	175.0°
OAE	PAT	OAD	HOAD	109.8°	60.0°
OAE	PAT	CAJ	HAJ	162.7°	65.0°
OAE	PAT	CAJ	HAJA	42.9°	55.0°
OAC	PAT	CAJ	CAH	164.6°	55.0°
OAC	PAT	OAD	HOAD	19.5°	179.9°
OAC	PAT	OAE	HOAE	12.4°	60.0°
OAC	PAT	CAJ	HAJ	44.6°	175.0°
OAC	PAT	CAJ	HAJA	75.2°	65.0°
PAT	CAJ	CAH	HAJ	120.0°	120.1°
PAT	CAJ	CAH	HAJA	120.3°	120.0°
PAT	CAJ	CAH	OAN	163.6°	180.0°
CAJ	PAT	OAD	HOAD	134.2°	60.1°
CAJ	PAT	OAE	HOAE	101.3°	180.0°
PAT	CAJ	HAJ	HAJA	120.3°	120.0°
PAT	CAJ	CAH	HAH	76.4°	60.0°
PAT	CAJ	CAH	HAHA	44.1°	60.0°
CAJ	CAH	OAN	HAH	120.0°	120.0°
CAJ	CAH	OAN	HAHA	119.5°	120.0°
CAJ	CAH	OAN	CAG	165.8°	180.0°
CAH	CAJ	HAJ	HAJA	120.2°	119.9°
CAJ	CAH	HAH	HAHA	119.5°	120.0°
CAH	OAN	CAG	CAI	89.1°	180.0°
OAN	CAH	CAJ	HAJ	43.6°	60.0°
OAN	CAH	CAJ	HAJA	76.2°	60.0°
OAN	CAH	HAH	HAHA	119.5°	120.0°
CAH	OAN	CAG	HAG	150.9°	60.0°
CAH	OAN	CAG	HAGA	30.7°	60.0°
OAN	CAG	CAI	HAG	120.0°	120.0°
OAN	CAG	CAI	HAGA	119.8°	120.0°
OAN	CAG	CAI	N9	48.3°	180.0°
CAG	OAN	CAH	HAH	45.9°	60.0°
CAG	OAN	CAH	HAHA	74.7°	60.0°
OAN	CAG	HAG	HAGA	119.8°	120.0°
OAN	CAG	CAI	HAI	168.3°	60.0°
OAN	CAG	CAI	HAIA	70.1°	60.0°
CAG	CAI	N9	HAI	120.0°	120.0°
CAG	CAI	N9	HAIA	118.5°	120.0°
CAG	CAI	N9	C4	83.6°	85.0°
CAI	CAG	HAG	HAGA	119.8°	120.0°
CAG	CAI	HAI	HAIA	118.6°	119.9°
CAI	N9	C4	N3	0.5°	0.0°
CAI	N9	C8	H8	0.1°	0.1°
N9	CAI	CAG	HAG	71.7°	60.0°
N9	CAI	CAG	HAGA	168.2°	60.0°
N9	CAI	HAI	HAIA	118.5°	120.1°
C4	N9	C8	H8	179.1°	180.0°
C4	N9	CAI	HAI	36.4°	35.0°
C4	N9	CAI	HAIA	157.9°	155.0°
HAJ	CAJ	CAH	HAH	163.6°	180.0°
HAJ	CAJ	CAH	HAHA	75.9°	60.1°
HAJA	CAJ	CAH	HAH	43.8°	60.0°
HAJA	CAJ	CAH	HAHA	164.3°	180.0°
HAG	CAG	CAI	HAI	48.3°	180.0°
HAG	CAG	CAI	HAIA	169.8°	60.1°
HAGA	CAG	CAI	HAI	71.8°	60.0°
HAGA	CAG	CAI	HAIA	49.7°	179.9°

Definition date:	2009-03-05
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	3GGJ