HEN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	0.00Å	1.40Å	Aromatic
N1	C6	sing	0.00Å	1.37Å	Aromatic
C2	C2A	sing	0.00Å	1.50Å
C2	C3	sing	0.00Å	1.43Å	Aromatic
C2A	H2A1	sing	0.00Å	1.11Å
C2A	H2A2	sing	0.00Å	1.12Å
C2A	H2A3	sing	0.00Å	1.12Å
C3	O3	sing	0.00Å	1.30Å
C3	C4	doub	0.00Å	1.48Å	Aromatic
O3	HO3	sing	0.00Å	0.95Å
C4	C4A	sing	0.00Å	1.55Å
C4	C5	sing	0.00Å	1.49Å	Aromatic
C4A	N4A	sing	0.00Å	1.39Å
C4A	H4A1	sing	0.00Å	1.12Å
C4A	H4A2	sing	0.00Å	1.11Å
C5	C6	doub	0.00Å	1.37Å	Aromatic
C5	C5A	sing	0.00Å	1.54Å
C6	HC6	sing	0.00Å	1.10Å
C5A	OP4	sing	0.00Å	1.42Å
C5A	H5A1	sing	0.00Å	1.11Å
C5A	H5A2	sing	0.00Å	1.11Å
OP4	P	sing	0.00Å	1.64Å
P	OP1	sing	0.00Å	1.49Å
P	OP2	doub	0.00Å	1.46Å
P	OP3	sing	0.00Å	1.49Å
OP1	HP1O	sing	0.00Å	0.95Å
OP3	HP3O	sing	0.00Å	0.95Å
N4A	CAI	doub	0.00Å	1.23Å
CAI	CBC	sing	0.00Å	1.57Å
CAI	CBI	sing	0.00Å	1.52Å
CBC	O2B	sing	0.00Å	1.33Å
CBC	O3B	doub	0.00Å	1.23Å
O2B	H2BO	sing	0.00Å	0.95Å
CBI	CGI	doub	0.00Å	1.35Å
CBI	HBIC	sing	0.00Å	1.10Å
CGI	CEI	sing	0.00Å	1.51Å
CGI	HGIC	sing	0.00Å	1.10Å
CEI	PG	sing	0.00Å	1.90Å
CEI	HCE1	sing	0.00Å	1.11Å
CEI	HCEC	sing	0.00Å	1.11Å
PG	OG1	sing	0.00Å	1.62Å
PG	OG2	sing	0.00Å	1.47Å
PG	OG3	doub	0.00Å	1.50Å
OG1	HG1O	sing	0.00Å	0.95Å
OG2	HG2O	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	126.8°	90.0°
N1	C2	C2A	114.4°	90.0°
N1	C2	C3	117.9°	90.0°
N1	C6	C5	118.4°	90.0°
N1	C6	HC6	120.9°	90.0°
C2A	C2	C3	127.7°	90.0°
C2	C2A	H2A1	114.5°	90.0°
C2	C2A	H2A2	110.4°	90.0°
C2	C2A	H2A3	110.4°	90.0°
C2	C3	O3	118.5°	90.0°
C2	C3	C4	117.5°	90.0°
H2A1	C2A	H2A2	110.4°	90.0°
H2A1	C2A	H2A3	110.3°	90.0°
H2A2	C2A	H2A3	99.8°	90.0°
O3	C3	C4	123.9°	90.0°
C3	O3	HO3	118.5°	90.0°
C3	C4	C4A	120.4°	90.0°
C3	C4	C5	119.0°	90.0°
C4A	C4	C5	120.6°	90.0°
C4	C4A	N4A	127.3°	90.0°
C4	C4A	H4A1	105.9°	90.0°
C4	C4A	H4A2	105.9°	90.0°
C4	C5	C6	120.4°	90.0°
C4	C5	C5A	118.8°	90.0°
N4A	C4A	H4A1	105.9°	90.0°
N4A	C4A	H4A2	106.0°	90.0°
C4A	N4A	CAI	137.2°	90.0°
H4A1	C4A	H4A2	103.5°	90.0°
C6	C5	C5A	120.8°	90.0°
C5	C6	HC6	120.7°	90.0°
C5	C5A	OP4	111.1°	90.0°
C5	C5A	H5A1	111.6°	90.0°
C5	C5A	H5A2	111.6°	90.0°
OP4	C5A	H5A1	111.6°	90.0°
OP4	C5A	H5A2	111.6°	90.0°
C5A	OP4	P	120.4°	90.0°
H5A1	C5A	H5A2	98.8°	90.0°
OP4	P	OP1	104.8°	90.0°
OP4	P	OP2	110.3°	90.0°
OP4	P	OP3	104.9°	90.0°
OP1	P	OP2	110.3°	90.0°
OP1	P	OP3	115.2°	90.0°
P	OP1	HP1O	104.8°	90.0°
OP2	P	OP3	110.9°	90.0°
P	OP3	HP3O	104.9°	90.0°
N4A	CAI	CBC	119.3°	90.0°
N4A	CAI	CBI	120.3°	90.0°
CBC	CAI	CBI	120.4°	90.0°
CAI	CBC	O2B	119.4°	90.0°
CAI	CBC	O3B	122.8°	90.0°
CAI	CBI	CGI	118.0°	90.0°
CAI	CBI	HBIC	126.7°	90.0°
O2B	CBC	O3B	117.8°	90.0°
CBC	O2B	H2BO	119.4°	90.0°
CGI	CBI	HBIC	115.2°	90.0°
CBI	CGI	CEI	122.8°	90.0°
CBI	CGI	HGIC	112.8°	90.0°
CEI	CGI	HGIC	124.4°	90.0°
CGI	CEI	PG	107.1°	90.0°
CGI	CEI	HCE1	113.1°	90.0°
CGI	CEI	HCEC	113.0°	90.0°
PG	CEI	HCE1	113.1°	90.0°
PG	CEI	HCEC	113.1°	90.0°
CEI	PG	OG1	112.9°	90.0°
CEI	PG	OG2	106.4°	90.0°
CEI	PG	OG3	107.7°	90.0°
HCE1	CEI	HCEC	97.4°	90.0°
OG1	PG	OG2	106.7°	90.0°
OG1	PG	OG3	106.1°	90.0°
PG	OG1	HG1O	112.9°	90.0°
OG2	PG	OG3	117.3°	90.0°
PG	OG2	HG2O	106.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C2A	C3	179.8°	90.0°
N1	C2	C2A	H2A1	180.0°	90.0°
N1	C2	C2A	H2A2	54.7°	90.0°
N1	C2	C2A	H2A3	54.7°	90.0°
N1	C2	C3	O3	179.9°	90.0°
N1	C2	C3	C4	0.3°	90.0°
C2	N1	C6	C5	0.2°	90.0°
C2	N1	C6	HC6	179.8°	90.0°
C6	N1	C2	C2A	179.3°	90.0°
C6	N1	C2	C3	0.5°	90.0°
N1	C6	C5	C4	0.1°	90.0°
N1	C6	C5	HC6	180.0°	90.0°
N1	C6	C5	C5A	179.9°	90.0°
C2	C2A	H2A1	H2A2	125.3°	90.0°
C2	C2A	H2A1	H2A3	125.3°	90.0°
C2	C2A	H2A2	H2A3	116.3°	90.0°
C2A	C2	C3	O3	0.4°	90.0°
C2A	C2	C3	C4	179.4°	90.0°
C3	C2	C2A	H2A1	0.3°	90.0°
C3	C2	C2A	H2A2	125.0°	90.0°
C3	C2	C2A	H2A3	125.5°	90.0°
C2	C3	O3	C4	179.7°	90.0°
C2	C3	O3	HO3	179.9°	90.0°
C2	C3	C4	C4A	178.9°	90.0°
C2	C3	C4	C5	0.1°	90.0°
H2A1	C2A	H2A2	H2A3	116.1°	90.0°
O3	C3	C4	C4A	0.9°	90.0°
O3	C3	C4	C5	179.8°	90.0°
C4	C3	O3	HO3	0.3°	90.0°
C3	C4	C4A	C5	178.9°	90.0°
C3	C4	C4A	N4A	1.5°	90.0°
C3	C4	C4A	H4A1	123.7°	90.0°
C3	C4	C4A	H4A2	126.8°	90.0°
C3	C4	C5	C6	0.2°	90.0°
C3	C4	C5	C5A	180.0°	90.0°
C4	C4A	N4A	H4A1	125.2°	90.0°
C4	C4A	N4A	H4A2	125.3°	90.0°
C4	C4A	H4A1	H4A2	111.2°	90.0°
C4A	C4	C5	C6	179.1°	90.0°
C4A	C4	C5	C5A	1.1°	90.0°
C4	C4A	N4A	CAI	167.4°	90.0°
C5	C4	C4A	N4A	177.4°	90.0°
C5	C4	C4A	H4A1	57.4°	90.0°
C5	C4	C4A	H4A2	52.1°	90.0°
C4	C5	C6	C5A	179.8°	90.0°
C4	C5	C6	HC6	179.9°	90.0°
C4	C5	C5A	OP4	95.6°	90.0°
C4	C5	C5A	H5A1	139.2°	90.0°
C4	C5	C5A	H5A2	29.7°	90.0°
N4A	C4A	H4A1	H4A2	111.3°	90.0°
C4A	N4A	CAI	CBC	177.6°	90.0°
C4A	N4A	CAI	CBI	0.7°	90.0°
H4A1	C4A	N4A	CAI	67.4°	90.0°
H4A2	C4A	N4A	CAI	42.1°	90.0°
C6	C5	C5A	OP4	84.3°	90.0°
C6	C5	C5A	H5A1	40.9°	90.0°
C6	C5	C5A	H5A2	150.5°	90.0°
C5A	C5	C6	HC6	0.0°	90.0°
C5	C5A	OP4	H5A1	125.2°	90.0°
C5	C5A	OP4	H5A2	125.2°	90.0°
C5	C5A	H5A1	H5A2	117.5°	90.0°
C5	C5A	OP4	P	142.1°	90.0°
OP4	C5A	H5A1	H5A2	117.5°	90.0°
C5A	OP4	P	OP1	162.2°	90.0°
C5A	OP4	P	OP2	43.4°	90.0°
C5A	OP4	P	OP3	76.0°	90.0°
H5A1	C5A	OP4	P	92.6°	90.0°
H5A2	C5A	OP4	P	16.9°	90.0°
OP4	P	OP1	OP2	118.7°	90.0°
OP4	P	OP1	OP3	114.7°	90.0°
OP4	P	OP2	OP3	115.8°	90.0°
OP4	P	OP1	HP1O	180.0°	90.0°
OP4	P	OP3	HP3O	179.9°	90.0°
OP1	P	OP2	OP3	128.9°	90.0°
OP1	P	OP3	HP3O	65.3°	90.0°
OP2	P	OP1	HP1O	61.3°	90.0°
OP2	P	OP3	HP3O	61.0°	90.0°
OP3	P	OP1	HP1O	65.3°	90.0°
N4A	CAI	CBC	CBI	178.3°	90.0°
N4A	CAI	CBC	O2B	57.0°	90.0°
N4A	CAI	CBC	O3B	121.4°	90.0°
N4A	CAI	CBI	CGI	134.2°	90.0°
N4A	CAI	CBI	HBIC	45.9°	90.0°
CAI	CBC	O2B	O3B	178.5°	90.0°
CAI	CBC	O2B	H2BO	180.0°	90.0°
CBC	CAI	CBI	CGI	44.2°	90.0°
CBC	CAI	CBI	HBIC	135.8°	90.0°
CBI	CAI	CBC	O2B	124.6°	90.0°
CBI	CAI	CBC	O3B	57.0°	90.0°
CAI	CBI	CGI	HBIC	180.0°	90.0°
CAI	CBI	CGI	CEI	179.5°	90.0°
CAI	CBI	CGI	HGIC	0.5°	90.0°
O3B	CBC	O2B	H2BO	1.5°	90.0°
CBI	CGI	CEI	HGIC	180.0°	90.0°
CBI	CGI	CEI	PG	178.9°	90.0°
CBI	CGI	CEI	HCE1	53.7°	90.0°
CBI	CGI	CEI	HCEC	55.8°	90.0°
HBIC	CBI	CGI	CEI	0.5°	90.0°
HBIC	CBI	CGI	HGIC	179.5°	90.0°
CGI	CEI	PG	HCE1	125.3°	90.0°
CGI	CEI	PG	HCEC	125.2°	90.0°
CGI	CEI	HCE1	HCEC	119.0°	90.0°
CGI	CEI	PG	OG1	83.0°	90.0°
CGI	CEI	PG	OG2	160.4°	90.0°
CGI	CEI	PG	OG3	33.8°	90.0°
HGIC	CGI	CEI	PG	1.0°	90.0°
HGIC	CGI	CEI	HCE1	126.3°	90.0°
HGIC	CGI	CEI	HCEC	124.2°	90.0°
PG	CEI	HCE1	HCEC	119.1°	90.0°
CEI	PG	OG1	OG2	116.5°	90.0°
CEI	PG	OG1	OG3	117.7°	90.0°
CEI	PG	OG2	OG3	120.6°	90.0°
CEI	PG	OG1	HG1O	180.0°	90.0°
CEI	PG	OG2	HG2O	180.0°	90.0°
HCE1	CEI	PG	OG1	151.8°	90.0°
HCE1	CEI	PG	OG2	35.1°	90.0°
HCE1	CEI	PG	OG3	91.5°	90.0°
HCEC	CEI	PG	OG1	42.3°	90.0°
HCEC	CEI	PG	OG2	74.4°	90.0°
HCEC	CEI	PG	OG3	159.0°	90.0°
OG1	PG	OG2	OG3	118.7°	90.0°
OG1	PG	OG2	HG2O	59.2°	90.0°
OG2	PG	OG1	HG1O	63.5°	90.0°
OG3	PG	OG1	HG1O	62.3°	90.0°
OG3	PG	OG2	HG2O	59.4°	90.0°

Definition date:	2001-02-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1I41