NPF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1A	C2A	doub	1.39Å	1.43Å	Aromatic
C1A	C6A	sing	1.39Å	1.42Å	Aromatic
C1A	O1	sing	1.36Å	1.43Å
C2A	C3A	sing	1.38Å	1.40Å	Aromatic
C2A	H2A	sing	1.08Å	1.10Å
C3A	C4A	doub	1.38Å	1.41Å	Aromatic
C3A	H3A	sing	1.08Å	1.10Å
C4A	C5A	sing	1.38Å	1.41Å	Aromatic
C4A	H4A	sing	1.08Å	1.10Å
C5A	C6A	doub	1.38Å	1.42Å	Aromatic
C5A	H5A	sing	1.08Å	1.10Å
C6A	N6	sing	1.48Å	1.41Å
N6	O6A	sing	1.22Å	1.24Å
N6	O6B	doub	1.22Å	1.23Å
O1	C1	sing	1.43Å	1.45Å
C1	C2	sing	1.53Å	1.57Å
C1	O5	sing	1.43Å	1.46Å
C1	H1	sing	1.09Å	1.11Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.44Å
C4	C5	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C5	C6	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.45Å
C5	H5	sing	1.09Å	1.11Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2A	C1A	C6A	116.5°	119.8°
C2A	C1A	O1	121.4°	120.1°
C1A	C2A	C3A	124.5°	120.0°
C1A	C2A	H2A	118.9°	120.0°
C6A	C1A	O1	113.9°	120.1°
C1A	C6A	C5A	120.0°	120.0°
C1A	C6A	N6	123.1°	120.0°
C1A	O1	C1	132.0°	106.8°
C3A	C2A	H2A	116.5°	120.0°
C2A	C3A	C4A	117.3°	120.0°
C2A	C3A	H3A	121.1°	120.0°
C4A	C3A	H3A	121.6°	120.0°
C3A	C4A	C5A	120.5°	120.2°
C3A	C4A	H4A	119.5°	119.9°
C5A	C4A	H4A	119.9°	119.9°
C4A	C5A	C6A	121.1°	120.0°
C4A	C5A	H5A	119.2°	120.0°
C6A	C5A	H5A	119.6°	120.0°
C5A	C6A	N6	116.9°	120.0°
C6A	N6	O6A	123.0°	120.0°
C6A	N6	O6B	116.1°	120.0°
O6A	N6	O6B	120.9°	120.0°
O1	C1	C2	120.0°	109.4°
O1	C1	O5	96.5°	109.4°
O1	C1	H1	111.1°	109.4°
C2	C1	O5	108.0°	109.8°
C2	C1	H1	100.2°	109.5°
C1	C2	O2	113.3°	109.6°
C1	C2	C3	112.8°	109.0°
C1	C2	H2	104.2°	109.6°
O5	C1	H1	122.6°	109.4°
C1	O5	C5	121.0°	107.6°
O2	C2	C3	108.8°	109.6°
O2	C2	H2	108.4°	109.5°
C2	O2	HO2	113.3°	106.8°
C3	C2	H2	109.1°	109.5°
C2	C3	O3	106.9°	109.7°
C2	C3	C4	109.8°	108.6°
C2	C3	H3	110.6°	109.6°
O3	C3	C4	108.7°	109.7°
O3	C3	H3	111.7°	109.6°
C3	O3	HO3	107.0°	106.8°
C4	C3	H3	109.0°	109.6°
C3	C4	O4	105.5°	109.6°
C3	C4	C5	109.7°	109.0°
C3	C4	H4	113.4°	109.5°
O4	C4	C5	113.7°	109.7°
O4	C4	H4	109.5°	109.5°
C4	O4	HO4	105.6°	106.9°
C5	C4	H4	105.3°	109.5°
C4	C5	C6	109.9°	109.4°
C4	C5	O5	111.0°	109.7°
C4	C5	H5	108.5°	109.4°
C6	C5	O5	110.6°	109.4°
C6	C5	H5	109.0°	109.4°
C5	C6	H61	109.9°	109.5°
C5	C6	H62	112.0°	109.5°
C5	C6	H63	112.0°	109.5°
O5	C5	H5	107.7°	109.4°
H61	C6	H62	112.1°	109.4°
H61	C6	H63	112.1°	109.5°
H62	C6	H63	98.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2A	C1A	C6A	O1	149.0°	179.7°
C1A	C2A	C3A	H2A	180.0°	180.0°
C1A	C2A	C3A	C4A	0.9°	0.1°
C1A	C2A	C3A	H3A	179.1°	179.9°
C2A	C1A	C6A	C5A	1.8°	0.5°
C2A	C1A	C6A	N6	180.0°	180.0°
C2A	C1A	O1	C1	75.8°	0.0°
C6A	C1A	C2A	C3A	0.7°	0.2°
C6A	C1A	C2A	H2A	179.3°	179.8°
C1A	C6A	C5A	C4A	1.5°	0.5°
C1A	C6A	C5A	N6	178.3°	179.4°
C1A	C6A	C5A	H5A	178.5°	179.7°
C1A	C6A	N6	O6A	0.4°	179.5°
C1A	C6A	N6	O6B	179.4°	0.6°
C6A	C1A	O1	C1	136.8°	179.7°
O1	C1A	C2A	C3A	145.9°	180.0°
O1	C1A	C2A	H2A	34.1°	0.0°
O1	C1A	C6A	C5A	147.2°	179.7°
O1	C1A	C6A	N6	31.0°	0.3°
C1A	O1	C1	C2	66.2°	174.7°
C1A	O1	C1	O5	178.6°	65.0°
C1A	O1	C1	H1	50.0°	54.9°
C2A	C3A	C4A	H3A	180.0°	179.9°
C2A	C3A	C4A	C5A	1.3°	0.1°
C2A	C3A	C4A	H4A	178.7°	179.9°
H2A	C2A	C3A	C4A	179.1°	179.9°
H2A	C2A	C3A	H3A	0.9°	0.1°
C3A	C4A	C5A	H4A	180.0°	180.0°
C3A	C4A	C5A	C6A	0.2°	0.2°
C3A	C4A	C5A	H5A	179.8°	180.0°
H3A	C3A	C4A	C5A	178.7°	179.9°
H3A	C3A	C4A	H4A	1.3°	0.0°
C4A	C5A	C6A	H5A	180.0°	179.8°
C4A	C5A	C6A	N6	179.8°	180.0°
H4A	C4A	C5A	C6A	179.8°	179.8°
H4A	C4A	C5A	H5A	0.2°	0.0°
C5A	C6A	N6	O6A	178.6°	0.0°
C5A	C6A	N6	O6B	1.2°	180.0°
H5A	C5A	C6A	N6	0.2°	0.2°
C6A	N6	O6A	O6B	179.8°	180.0°
O1	C1	C2	O5	108.9°	120.0°
O1	C1	C2	H1	121.8°	119.8°
O1	C1	O5	H1	120.2°	119.8°
O1	C1	C2	O2	77.5°	58.8°
O1	C1	C2	C3	158.3°	178.7°
O1	C1	C2	H2	40.1°	61.5°
O1	C1	O5	C5	172.2°	172.4°
C2	C1	O5	H1	115.3°	120.2°
C1	C2	O2	C3	126.3°	119.6°
C1	C2	O2	H2	115.1°	120.3°
C1	C2	C3	H2	115.2°	119.9°
C1	C2	O2	HO2	179.9°	60.0°
C1	C2	C3	O3	175.5°	173.6°
C1	C2	C3	C4	57.7°	53.7°
C1	C2	C3	H3	62.7°	66.0°
C2	C1	O5	C5	47.7°	67.6°
O5	C1	C2	O2	173.6°	178.8°
O5	C1	C2	C3	49.3°	61.3°
O5	C1	C2	H2	68.8°	58.6°
C1	O5	C5	C4	50.9°	67.6°
C1	O5	C5	C6	173.2°	172.3°
C1	O5	C5	H5	67.8°	52.5°
H1	C1	C2	O2	44.3°	61.1°
H1	C1	C2	C3	80.0°	58.9°
H1	C1	C2	H2	161.9°	178.7°
H1	C1	O5	C5	67.6°	52.5°
O2	C2	C3	H2	118.1°	120.2°
O2	C2	C3	O3	57.9°	66.4°
O2	C2	C3	C4	175.6°	173.7°
O2	C2	C3	H3	64.0°	53.9°
C3	C2	O2	HO2	53.7°	179.6°
C2	C3	O3	C4	118.5°	119.2°
C2	C3	O3	H3	121.2°	120.4°
C2	C3	C4	H3	121.3°	119.7°
C2	C3	O3	HO3	180.0°	60.0°
C2	C3	C4	O4	64.8°	66.3°
C2	C3	C4	C5	58.0°	53.8°
C2	C3	C4	H4	175.4°	173.5°
H2	C2	O2	HO2	64.8°	60.2°
H2	C2	C3	O3	60.2°	53.7°
H2	C2	C3	C4	57.5°	66.2°
H2	C2	C3	H3	177.9°	174.1°
O3	C3	C4	H3	122.0°	120.4°
O3	C3	C4	O4	51.8°	53.6°
O3	C3	C4	C5	174.7°	173.6°
O3	C3	C4	H4	68.0°	66.6°
C4	C3	O3	HO3	61.5°	179.2°
C3	C4	O4	C5	120.3°	119.7°
C3	C4	O4	H4	122.3°	120.2°
C3	C4	C5	H4	122.3°	119.8°
C3	C4	O4	HO4	180.0°	180.0°
C3	C4	C5	C6	175.5°	178.6°
C3	C4	C5	O5	52.8°	61.3°
C3	C4	C5	H5	65.4°	58.7°
H3	C3	O3	HO3	58.8°	60.4°
H3	C3	C4	O4	173.8°	174.0°
H3	C3	C4	C5	63.3°	65.9°
H3	C3	C4	H4	54.0°	53.8°
O4	C4	C5	H4	119.8°	120.2°
O4	C4	C5	C6	57.6°	61.4°
O4	C4	C5	O5	65.1°	58.6°
O4	C4	C5	H5	176.7°	178.7°
C5	C4	O4	HO4	59.7°	60.3°
C4	C5	C6	O5	122.9°	120.2°
C4	C5	C6	H5	118.8°	119.9°
C4	C5	O5	H5	118.7°	120.1°
C4	C5	C6	H61	180.0°	179.9°
C4	C5	C6	H62	54.7°	59.9°
C4	C5	C6	H63	54.7°	60.1°
H4	C4	O4	HO4	57.7°	59.8°
H4	C4	C5	C6	62.2°	58.8°
H4	C4	C5	O5	175.1°	178.8°
H4	C4	C5	H5	56.9°	61.1°
C6	C5	O5	H5	119.0°	119.9°
C5	C6	H61	H62	125.3°	120.0°
C5	C6	H61	H63	125.2°	120.0°
C5	C6	H62	H63	117.9°	120.0°
O5	C5	C6	H61	57.1°	59.9°
O5	C5	C6	H62	177.6°	179.8°
O5	C5	C6	H63	68.2°	60.1°
H5	C5	C6	H61	61.2°	60.0°
H5	C5	C6	H62	64.1°	60.0°
H5	C5	C6	H63	173.5°	180.0°
H61	C6	H62	H63	118.0°	120.0°

Definition date:	2000-02-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1EFA