NPZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.34Å	Aromatic
N1	C6	sing	1.33Å	1.35Å	Aromatic
C2	N3	sing	1.31Å	1.34Å	Aromatic
NAF	C6	sing	1.38Å	1.34Å
C6	C5	doub	1.40Å	1.40Å	Aromatic
N3	C4	doub	1.33Å	1.36Å	Aromatic
CAB	CAA	doub	1.36Å	1.38Å	Aromatic
CAB	CAC	sing	1.41Å	1.37Å	Aromatic
CAA	CAG	sing	1.40Å	1.39Å	Aromatic
C5	C4	sing	1.41Å	1.39Å	Aromatic
C5	CAO	sing	1.46Å	1.50Å	Aromatic
C4	NAT	sing	1.36Å	1.34Å	Aromatic
CAD	CAC	doub	1.40Å	1.39Å	Aromatic
CAD	CAE	sing	1.36Å	1.39Å	Aromatic
CAC	CAI	sing	1.42Å	1.40Å	Aromatic
NAT	CAU	sing	1.47Å	1.50Å
NAT	NAP	sing	1.40Å	1.40Å	Aromatic
CAO	CAG	sing	1.48Å	1.40Å	Aromatic
CAO	NAP	doub	1.31Å	1.35Å	Aromatic
CAG	CAH	doub	1.38Å	1.41Å	Aromatic
CAE	CAK	doub	1.39Å	1.39Å	Aromatic
CAI	CAH	sing	1.40Å	1.42Å	Aromatic
CAI	CAJ	doub	1.41Å	1.39Å	Aromatic
CAK	CAJ	sing	1.36Å	1.40Å	Aromatic
NAF	H1AF	sing	0.97Å	1.00Å
NAF	H2AF	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å
CAU	H1AU	sing	1.09Å	1.10Å
CAU	H2AU	sing	1.09Å	1.10Å
CAU	H3AU	sing	1.09Å	1.10Å
CAH	HAH	sing	1.08Å	1.08Å
CAA	HAA	sing	1.08Å	1.08Å
CAB	HAB	sing	1.08Å	1.08Å
CAD	HAD	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å
CAK	HAK	sing	1.08Å	1.08Å
CAJ	HAJ	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	120.5°	121.1°
N1	C2	N3	121.7°	122.7°
N1	C2	H2	119.2°	118.7°
N1	C6	NAF	117.8°	120.8°
N1	C6	C5	119.5°	118.3°
C2	N3	C4	120.0°	120.7°
N3	C2	H2	119.2°	118.6°
NAF	C6	C5	122.7°	120.9°
C6	NAF	H1AF	109.5°	120.0°
C6	NAF	H2AF	109.5°	120.0°
C6	C5	C4	118.3°	118.6°
C6	C5	CAO	134.9°	135.0°
N3	C4	C5	119.9°	118.6°
N3	C4	NAT	133.5°	134.5°
CAA	CAB	CAC	120.0°	120.0°
CAB	CAA	CAG	122.0°	120.9°
CAB	CAA	HAA	119.0°	119.6°
CAA	CAB	HAB	120.0°	120.0°
CAB	CAC	CAD	116.7°	121.0°
CAB	CAC	CAI	119.8°	119.6°
CAC	CAB	HAB	120.0°	120.0°
CAA	CAG	CAO	111.7°	119.7°
CAA	CAG	CAH	119.5°	120.6°
CAG	CAA	HAA	119.0°	119.6°
C4	C5	CAO	106.7°	106.4°
C5	C4	NAT	106.6°	106.9°
C5	CAO	CAG	124.9°	126.3°
C5	CAO	NAP	106.6°	107.4°
C4	NAT	CAU	133.2°	125.3°
C4	NAT	NAP	113.1°	109.4°
CAC	CAD	CAE	118.3°	119.7°
CAD	CAC	CAI	123.5°	119.3°
CAC	CAD	HAD	120.9°	120.2°
CAD	CAE	CAK	119.8°	121.0°
CAE	CAD	HAD	120.8°	120.1°
CAD	CAE	HAE	120.1°	119.5°
CAC	CAI	CAH	120.9°	119.5°
CAC	CAI	CAJ	116.9°	119.4°
CAU	NAT	NAP	113.6°	125.3°
NAT	CAU	H1AU	109.5°	109.5°
NAT	CAU	H2AU	109.5°	109.5°
NAT	CAU	H3AU	109.4°	109.5°
NAT	NAP	CAO	106.8°	109.9°
CAG	CAO	NAP	128.3°	126.3°
CAO	CAG	CAH	128.8°	119.7°
CAG	CAH	CAI	117.8°	119.4°
CAG	CAH	HAH	121.1°	120.3°
CAE	CAK	CAJ	120.6°	121.0°
CAK	CAE	HAE	120.1°	119.5°
CAE	CAK	HAK	119.7°	119.5°
CAH	CAI	CAJ	122.2°	121.1°
CAI	CAH	HAH	121.1°	120.3°
CAI	CAJ	CAK	120.8°	119.7°
CAI	CAJ	HAJ	119.6°	120.2°
CAJ	CAK	HAK	119.7°	119.5°
CAK	CAJ	HAJ	119.6°	120.2°
H1AF	NAF	H2AF	109.5°	120.0°
H1AU	CAU	H2AU	109.4°	109.5°
H1AU	CAU	H3AU	109.5°	109.4°
H2AU	CAU	H3AU	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	H2	180.0°	179.9°
C2	N1	C6	NAF	178.9°	179.7°
C2	N1	C6	C5	0.6°	0.1°
N1	C2	N3	C4	3.2°	0.3°
C6	N1	C2	N3	2.2°	0.0°
N1	C6	NAF	C5	179.6°	179.6°
N1	C6	C5	C4	0.2°	0.3°
N1	C6	C5	CAO	179.1°	179.8°
N1	C6	NAF	H1AF	66.1°	163.6°
N1	C6	NAF	H2AF	53.8°	16.4°
C6	N1	C2	H2	177.8°	179.9°
C2	N3	C4	C5	2.6°	0.5°
C2	N3	C4	NAT	177.8°	179.8°
NAF	C6	C5	C4	179.4°	180.0°
NAF	C6	C5	CAO	0.4°	0.1°
C6	NAF	H1AF	H2AF	120.0°	180.0°
C6	C5	C4	N3	1.1°	0.6°
C6	C5	C4	CAO	179.2°	179.9°
C6	C5	C4	NAT	179.1°	180.0°
C6	C5	CAO	CAG	3.9°	0.1°
C6	C5	CAO	NAP	178.8°	180.0°
C5	C6	NAF	H1AF	114.3°	16.8°
C5	C6	NAF	H2AF	125.7°	163.2°
N3	C4	C5	NAT	179.7°	179.4°
N3	C4	C5	CAO	179.6°	179.5°
N3	C4	NAT	CAU	1.4°	0.7°
N3	C4	NAT	NAP	177.3°	179.3°
C4	N3	C2	H2	176.8°	179.7°
CAA	CAB	CAC	HAB	180.0°	179.9°
CAB	CAA	CAG	HAA	180.0°	180.0°
CAA	CAB	CAC	CAD	179.6°	180.0°
CAA	CAB	CAC	CAI	1.0°	0.3°
CAB	CAA	CAG	CAO	180.0°	180.0°
CAB	CAA	CAG	CAH	1.6°	0.3°
CAC	CAB	CAA	CAG	1.5°	0.0°
CAB	CAC	CAD	CAI	179.4°	179.7°
CAB	CAC	CAD	CAE	180.0°	180.0°
CAB	CAC	CAI	CAH	0.7°	0.3°
CAB	CAC	CAI	CAJ	179.9°	180.0°
CAC	CAB	CAA	HAA	178.5°	180.0°
CAB	CAC	CAD	HAD	0.0°	0.0°
CAA	CAG	CAO	C5	40.9°	135.6°
CAA	CAG	CAO	CAH	178.2°	179.8°
CAA	CAG	CAO	NAP	132.8°	44.5°
CAA	CAG	CAH	CAI	1.3°	0.3°
CAA	CAG	CAH	HAH	178.7°	179.7°
CAG	CAA	CAB	HAB	178.6°	180.0°
C5	C4	NAT	CAU	178.3°	180.0°
C5	C4	NAT	NAP	2.3°	0.0°
C4	C5	CAO	CAG	177.0°	180.0°
C4	C5	CAO	NAP	2.1°	0.1°
CAO	C5	C4	NAT	0.1°	0.1°
C5	CAO	NAP	NAT	3.4°	0.1°
C5	CAO	CAG	NAP	173.7°	179.9°
C5	CAO	CAG	CAH	140.9°	44.6°
C4	NAT	CAU	NAP	175.9°	180.0°
C4	NAT	NAP	CAO	3.8°	0.0°
C4	NAT	CAU	H1AU	110.8°	89.9°
C4	NAT	CAU	H2AU	9.1°	150.0°
C4	NAT	CAU	H3AU	129.1°	30.0°
CAC	CAD	CAE	HAD	180.0°	180.0°
CAC	CAD	CAE	CAK	0.7°	0.0°
CAD	CAC	CAI	CAH	179.9°	180.0°
CAD	CAC	CAI	CAJ	0.7°	0.3°
CAD	CAC	CAB	HAB	0.4°	0.1°
CAC	CAD	CAE	HAE	179.3°	180.0°
CAE	CAD	CAC	CAI	0.6°	0.3°
CAD	CAE	CAK	HAE	180.0°	180.0°
CAD	CAE	CAK	CAJ	1.0°	0.3°
CAD	CAE	CAK	HAK	179.0°	180.0°
CAC	CAI	CAH	CAG	0.9°	0.0°
CAC	CAI	CAH	CAJ	179.1°	179.7°
CAC	CAI	CAJ	CAK	1.0°	0.0°
CAC	CAI	CAH	HAH	179.1°	180.0°
CAI	CAC	CAB	HAB	179.0°	179.7°
CAI	CAC	CAD	HAD	179.4°	179.7°
CAC	CAI	CAJ	HAJ	179.0°	179.9°
CAU	NAT	NAP	CAO	179.5°	179.9°
NAT	CAU	H1AU	H2AU	120.0°	120.0°
NAT	CAU	H1AU	H3AU	120.0°	119.9°
NAT	CAU	H2AU	H3AU	120.0°	120.0°
NAT	NAP	CAO	CAG	178.0°	180.0°
NAP	NAT	CAU	H1AU	73.2°	90.0°
NAP	NAT	CAU	H2AU	166.8°	30.0°
NAP	NAT	CAU	H3AU	46.8°	150.1°
CAO	CAG	CAH	CAI	179.4°	180.0°
CAO	CAG	CAH	HAH	0.6°	0.0°
CAO	CAG	CAA	HAA	0.0°	0.0°
NAP	CAO	CAG	CAH	45.4°	135.3°
CAG	CAH	CAI	HAH	180.0°	180.0°
CAG	CAH	CAI	CAJ	180.0°	179.7°
CAH	CAG	CAA	HAA	178.4°	179.7°
CAE	CAK	CAJ	CAI	1.2°	0.3°
CAE	CAK	CAJ	HAK	180.0°	179.7°
CAK	CAE	CAD	HAD	179.3°	180.0°
CAE	CAK	CAJ	HAJ	178.8°	179.8°
CAH	CAI	CAJ	CAK	179.8°	179.7°
CAH	CAI	CAJ	HAJ	0.2°	0.2°
CAI	CAJ	CAK	HAJ	180.0°	180.0°
CAJ	CAI	CAH	HAH	0.0°	0.3°
CAI	CAJ	CAK	HAK	178.8°	180.0°
CAJ	CAK	CAE	HAE	179.0°	179.7°
H1AU	CAU	H2AU	H3AU	120.0°	120.0°
HAA	CAA	CAB	HAB	1.5°	0.1°
HAD	CAD	CAE	HAE	0.7°	0.0°
HAE	CAE	CAK	HAK	1.0°	0.0°
HAK	CAK	CAJ	HAJ	1.2°	0.0°

Definition date:	2008-09-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3ENE