L3A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P	C2	sing	1.82Å	1.82Å
P	C4	sing	1.82Å	1.83Å
P	O31	doub	1.48Å	1.52Å
P	O32	sing	1.61Å	1.72Å
C1	C2	sing	1.53Å	1.51Å
C1	C8	sing	1.53Å	1.54Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
N1	C2	sing	1.47Å	1.45Å
N1	HN1	sing	1.01Å	1.00Å
N1	HN1A	sing	1.01Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.51Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C6	sing	1.51Å	1.52Å
C5	C7	sing	1.53Å	1.50Å
C5	H5	sing	1.09Å	1.10Å
C6	O61	sing	1.34Å	1.43Å
C6	O62	doub	1.21Å	1.25Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å
C8	C81	sing	1.53Å	1.52Å
C8	C82	sing	1.53Å	1.53Å
C8	H8	sing	1.09Å	1.10Å
C81	H81	sing	1.09Å	1.10Å
C81	H81A	sing	1.09Å	1.10Å
C81	H81B	sing	1.09Å	1.10Å
C82	H82	sing	1.09Å	1.10Å
C82	H82A	sing	1.09Å	1.10Å
C82	H82B	sing	1.09Å	1.10Å
O32	H19	sing	0.97Å	0.95Å
O61	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	P	C4	113.1°	109.5°
C2	P	O31	104.5°	109.5°
C2	P	O32	108.6°	109.5°
P	C2	C1	115.2°	109.4°
P	C2	N1	107.4°	109.5°
P	C2	H2	108.3°	109.4°
C4	P	O31	113.9°	109.5°
C4	P	O32	107.2°	109.4°
P	C4	C5	113.3°	109.5°
P	C4	H4	108.2°	109.5°
P	C4	H4A	108.2°	109.5°
O31	P	O32	109.4°	109.5°
P	O32	H19	109.5°	114.0°
C2	C1	C8	114.6°	109.5°
C2	C1	H1	107.8°	109.5°
C2	C1	H1A	107.8°	109.5°
C1	C2	N1	113.1°	109.5°
C1	C2	H2	101.9°	109.5°
C8	C1	H1	107.8°	109.5°
C8	C1	H1A	107.8°	109.4°
C1	C8	C81	110.5°	109.5°
C1	C8	C82	113.6°	109.5°
C1	C8	H8	106.5°	109.5°
H1	C1	H1A	111.1°	109.4°
C2	N1	HN1	109.5°	111.0°
C2	N1	HN1A	109.5°	111.0°
N1	C2	H2	110.6°	109.5°
HN1	N1	HN1A	109.5°	111.0°
C5	C4	H4	108.2°	109.5°
C5	C4	H4A	108.2°	109.5°
C4	C5	C6	115.6°	109.5°
C4	C5	C7	113.5°	109.5°
C4	C5	H5	103.8°	109.5°
H4	C4	H4A	110.7°	109.4°
C6	C5	C7	114.6°	109.5°
C6	C5	H5	102.4°	109.4°
C5	C6	O61	118.9°	120.0°
C5	C6	O62	122.8°	120.0°
C7	C5	H5	105.0°	109.5°
C5	C7	H7	109.5°	109.5°
C5	C7	H7A	109.4°	109.5°
C5	C7	H7B	109.4°	109.5°
O61	C6	O62	118.3°	119.9°
C6	O61	H20	109.5°	117.0°
H7	C7	H7A	109.5°	109.5°
H7	C7	H7B	109.5°	109.5°
H7A	C7	H7B	109.5°	109.4°
C81	C8	C82	111.1°	109.4°
C81	C8	H8	109.1°	109.4°
C8	C81	H81	109.5°	109.5°
C8	C81	H81A	109.5°	109.5°
C8	C81	H81B	109.5°	109.5°
C82	C8	H8	105.7°	109.5°
C8	C82	H82	109.5°	109.4°
C8	C82	H82A	109.4°	109.5°
C8	C82	H82B	109.5°	109.5°
H81	C81	H81A	109.4°	109.4°
H81	C81	H81B	109.5°	109.5°
H81A	C81	H81B	109.5°	109.5°
H82	C82	H82A	109.5°	109.4°
H82	C82	H82B	109.5°	109.5°
H82A	C82	H82B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	P	C4	O31	119.2°	120.0°
C2	P	C4	O32	119.6°	120.0°
C2	P	O31	O32	116.1°	120.0°
P	C2	C1	N1	124.1°	120.0°
P	C2	C1	H2	117.0°	119.9°
P	C2	C1	C8	129.1°	65.6°
P	C2	C1	H1	110.9°	174.4°
P	C2	C1	H1A	9.1°	54.4°
P	C2	N1	H2	118.0°	120.0°
P	C2	N1	HN1	180.0°	60.0°
P	C2	N1	HN1A	60.0°	176.0°
C2	P	C4	C5	127.7°	175.0°
C2	P	C4	H4	112.3°	55.0°
C2	P	C4	H4A	7.7°	65.0°
C2	P	O32	H19	113.5°	59.9°
C4	P	O31	O32	120.0°	120.0°
C4	P	C2	C1	61.3°	173.4°
C4	P	C2	N1	171.6°	53.4°
C4	P	C2	H2	52.1°	66.6°
P	C4	C5	H4	120.0°	120.0°
P	C4	C5	H4A	120.0°	120.0°
P	C4	H4	H4A	118.4°	120.0°
P	C4	C5	C6	54.9°	165.0°
P	C4	C5	C7	169.7°	75.0°
P	C4	C5	H5	56.3°	45.0°
C4	P	O32	H19	124.0°	60.1°
O31	P	C2	C1	174.3°	53.4°
O31	P	C2	N1	47.2°	66.6°
O31	P	C2	H2	72.3°	173.4°
O31	P	C4	C5	113.2°	55.0°
O31	P	C4	H4	6.9°	65.0°
O31	P	C4	H4A	126.8°	175.1°
O31	P	O32	H19	0.0°	180.0°
O32	P	C2	C1	57.6°	66.6°
O32	P	C2	N1	69.5°	173.4°
O32	P	C2	H2	171.0°	53.4°
O32	P	C4	C5	8.0°	65.0°
O32	P	C4	H4	128.0°	175.0°
O32	P	C4	H4A	112.0°	55.1°
C2	C1	C8	H1	120.0°	120.0°
C2	C1	C8	H1A	120.0°	120.0°
C2	C1	H1	H1A	117.9°	120.0°
C1	C2	N1	H2	113.7°	120.0°
C1	C2	N1	HN1	51.7°	60.0°
C1	C2	N1	HN1A	171.7°	64.0°
C2	C1	C8	C81	45.3°	65.5°
C2	C1	C8	C82	171.0°	174.5°
C2	C1	C8	H8	73.1°	54.5°
C8	C1	H1	H1A	117.9°	119.9°
C8	C1	C2	N1	106.7°	174.4°
C8	C1	C2	H2	12.1°	54.3°
C1	C8	C81	C82	127.1°	120.0°
C1	C8	C81	H8	116.8°	120.0°
C1	C8	C82	H8	116.4°	120.0°
C1	C8	C81	H81	180.0°	60.0°
C1	C8	C81	H81A	60.0°	60.0°
C1	C8	C81	H81B	60.0°	180.0°
C1	C8	C82	H82	180.0°	60.0°
C1	C8	C82	H82A	60.0°	179.9°
C1	C8	C82	H82B	60.0°	60.0°
H1	C1	C2	N1	13.2°	54.3°
H1	C1	C2	H2	132.1°	65.7°
H1	C1	C8	C81	74.7°	54.5°
H1	C1	C8	C82	51.0°	65.4°
H1	C1	C8	H8	166.9°	174.5°
H1A	C1	C2	N1	133.2°	65.6°
H1A	C1	C2	H2	107.9°	174.3°
H1A	C1	C8	C81	165.3°	174.5°
H1A	C1	C8	C82	69.0°	54.5°
H1A	C1	C8	H8	46.9°	65.6°
C2	N1	HN1	HN1A	120.0°	124.0°
HN1	N1	C2	H2	62.0°	180.0°
HN1A	N1	C2	H2	58.0°	56.0°
C5	C4	H4	H4A	118.4°	120.0°
C4	C5	C6	C7	134.9°	120.0°
C4	C5	C6	H5	112.0°	120.0°
C4	C5	C7	H5	112.7°	120.0°
C4	C5	C6	O61	150.8°	180.0°
C4	C5	C6	O62	26.7°	0.0°
C4	C5	C7	H7	180.0°	60.0°
C4	C5	C7	H7A	60.0°	180.0°
C4	C5	C7	H7B	60.0°	60.0°
H4	C4	C5	C6	65.1°	45.0°
H4	C4	C5	C7	70.3°	165.0°
H4	C4	C5	H5	176.3°	75.0°
H4A	C4	C5	C6	174.9°	75.0°
H4A	C4	C5	C7	49.7°	45.0°
H4A	C4	C5	H5	63.7°	165.0°
C6	C5	C7	H5	111.5°	120.0°
C5	C6	O61	O62	177.6°	180.0°
C6	C5	C7	H7	44.2°	180.0°
C6	C5	C7	H7A	75.8°	60.0°
C6	C5	C7	H7B	164.2°	60.0°
C5	C6	O61	H20	177.6°	180.0°
C7	C5	C6	O61	74.3°	60.0°
C7	C5	C6	O62	108.2°	120.0°
C5	C7	H7	H7A	120.0°	120.0°
C5	C7	H7	H7B	120.0°	120.0°
C5	C7	H7A	H7B	120.0°	120.0°
H5	C5	C6	O61	38.7°	60.0°
H5	C5	C6	O62	138.8°	120.0°
H5	C5	C7	H7	67.3°	60.0°
H5	C5	C7	H7A	172.6°	60.0°
H5	C5	C7	H7B	52.7°	179.9°
O62	C6	O61	H20	0.0°	0.0°
H7	C7	H7A	H7B	120.0°	120.0°
C81	C8	C82	H8	118.3°	119.9°
C8	C81	H81	H81A	120.0°	120.0°
C8	C81	H81	H81B	120.0°	120.1°
C8	C81	H81A	H81B	120.0°	120.1°
C81	C8	C82	H82	54.7°	180.0°
C81	C8	C82	H82A	65.3°	60.0°
C81	C8	C82	H82B	174.7°	60.1°
C82	C8	C81	H81	53.0°	180.0°
C82	C8	C81	H81A	172.9°	60.1°
C82	C8	C81	H81B	67.0°	60.0°
C8	C82	H82	H82A	120.0°	119.9°
C8	C82	H82	H82B	120.0°	120.0°
C8	C82	H82A	H82B	120.0°	120.1°
H8	C8	C81	H81	63.2°	60.0°
H8	C8	C81	H81A	56.7°	180.0°
H8	C8	C81	H81B	176.8°	60.0°
H8	C8	C82	H82	63.6°	60.0°
H8	C8	C82	H82A	176.4°	59.9°
H8	C8	C82	H82B	56.4°	180.0°
H81	C81	H81A	H81B	120.0°	120.0°
H82	C82	H82A	H82B	120.0°	120.0°

Definition date:	2010-06-18
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3NEH