M3N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	O6	sing	1.43Å	1.45Å
C6	C5	sing	1.53Å	1.55Å
O4	C4	sing	1.43Å	1.42Å
C5	C4	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.39Å
C4	C3	sing	1.53Å	1.52Å
O5	C1	sing	1.43Å	1.44Å
O01	C03	sing	1.43Å	1.42Å
C3	O3	sing	1.43Å	1.40Å
C3	C2	sing	1.53Å	1.50Å
C02	N03	sing	1.35Å	1.35Å	Aromatic
C02	C01	doub	1.35Å	1.39Å	Aromatic
C03	C01	sing	1.51Å	1.54Å
C1	C2	sing	1.53Å	1.51Å
C1	N03	sing	1.46Å	1.44Å
C2	O2	sing	1.43Å	1.41Å
N03	N04	sing	1.29Å	1.36Å	Aromatic
C01	N05	sing	1.34Å	1.33Å	Aromatic
N04	N05	doub	1.29Å	1.37Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C02	H12	sing	1.08Å	1.08Å
C03	H13	sing	1.09Å	1.10Å
C03	H14	sing	1.09Å	1.10Å
O01	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	C5	108.1°	109.5°
O6	C6	H61	109.8°	109.4°
O6	C6	H62	109.8°	109.5°
C6	O6	HO6	109.5°	114.0°
C6	C5	C4	108.0°	109.5°
C6	C5	O5	107.1°	109.4°
C6	C5	H5	109.0°	109.5°
C5	C6	H61	109.8°	109.5°
C5	C6	H62	109.8°	109.5°
O4	C4	C5	107.0°	109.6°
O4	C4	C3	108.9°	109.5°
O4	C4	H4	111.0°	109.6°
C4	O4	HO4	109.5°	114.0°
C4	C5	O5	111.8°	109.5°
C5	C4	C3	110.8°	109.1°
C5	C4	H4	109.6°	109.5°
C4	C5	H5	109.5°	109.5°
C5	O5	C1	119.3°	114.1°
O5	C5	H5	111.4°	109.5°
C4	C3	O3	110.6°	109.5°
C4	C3	C2	112.3°	109.1°
C4	C3	H3	107.7°	109.6°
C3	C4	H4	109.6°	109.5°
O5	C1	C2	114.1°	109.4°
O5	C1	N03	111.3°	109.5°
O5	C1	H1	104.0°	109.5°
O01	C03	C01	104.8°	109.4°
O01	C03	H13	110.7°	109.5°
O01	C03	H14	110.6°	109.4°
C03	O01	H15	109.5°	114.0°
O3	C3	C2	109.2°	109.5°
O3	C3	H3	109.1°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C2	C1	111.7°	109.1°
C3	C2	O2	109.7°	109.6°
C3	C2	H2	108.6°	109.6°
C2	C3	H3	107.9°	109.6°
N03	C02	C01	108.5°	106.2°
C02	N03	C1	127.6°	125.9°
C02	N03	N04	106.6°	108.2°
N03	C02	H12	125.7°	126.9°
C02	C01	C03	126.0°	126.7°
C02	C01	N05	107.8°	106.5°
C01	C02	H12	125.8°	126.9°
C03	C01	N05	126.2°	126.7°
C01	C03	H13	110.6°	109.5°
C01	C03	H14	110.6°	109.5°
C2	C1	N03	118.1°	109.5°
C1	C2	O2	108.8°	109.5°
C2	C1	H1	103.3°	109.5°
C1	C2	H2	108.4°	109.5°
C1	N03	N04	125.5°	125.9°
N03	C1	H1	104.0°	109.5°
O2	C2	H2	109.7°	109.5°
C2	O2	HO2	109.5°	114.0°
N03	N04	N05	109.1°	110.2°
C01	N05	N04	107.9°	108.9°
H61	C6	H62	109.5°	109.5°
H13	C03	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	C5	H61	119.8°	119.9°
O6	C6	C5	H62	119.8°	120.0°
O6	C6	C5	C4	71.2°	175.0°
O6	C6	C5	O5	49.3°	65.1°
O6	C6	C5	H5	169.9°	54.9°
O6	C6	H61	H62	120.6°	120.0°
C6	C5	C4	O4	71.5°	62.5°
C6	C5	C4	O5	117.5°	120.0°
C6	C5	C4	H5	118.6°	120.0°
C6	C5	O5	H5	119.1°	120.0°
C6	C5	C4	C3	169.9°	177.6°
C6	C5	O5	C1	167.5°	178.9°
C6	C5	C4	H4	48.9°	57.7°
C5	C6	H61	H62	120.6°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O4	C4	C5	C3	118.6°	119.9°
O4	C4	C5	H4	120.4°	120.2°
O4	C4	C5	O5	170.9°	177.5°
O4	C4	C3	H4	121.5°	120.1°
O4	C4	C3	O3	66.5°	63.2°
O4	C4	C3	C2	171.2°	177.0°
O4	C4	C3	H3	52.7°	57.0°
O4	C4	C5	H5	47.0°	57.5°
C4	C5	O5	H5	122.9°	120.0°
C5	C4	C3	H4	121.0°	119.9°
C4	C5	O5	C1	49.5°	61.2°
C5	C4	C3	O3	176.0°	176.8°
C5	C4	C3	C2	53.8°	57.0°
C5	C4	C3	H3	64.8°	63.0°
C5	C4	O4	HO4	180.0°	179.7°
C4	C5	C6	H61	48.5°	55.0°
C4	C5	C6	H62	169.0°	65.0°
O5	C5	C4	C3	52.4°	57.6°
C5	O5	C1	C2	45.0°	61.2°
C5	O5	C1	N03	91.7°	58.8°
C5	O5	C1	H1	156.8°	178.9°
O5	C5	C4	H4	68.6°	62.2°
O5	C5	C6	H61	169.1°	175.0°
O5	C5	C6	H62	70.5°	54.9°
C4	C3	O3	C2	124.0°	119.6°
C4	C3	O3	H3	118.3°	120.2°
C4	C3	C2	H3	118.5°	120.0°
C4	C3	C2	C1	48.9°	57.0°
C4	C3	C2	O2	71.8°	62.9°
C4	C3	C2	H2	168.3°	176.9°
C4	C3	O3	HO3	180.0°	179.5°
C3	C4	O4	HO4	60.2°	60.0°
C3	C4	C5	H5	71.5°	62.4°
O5	C1	C2	C3	42.7°	57.6°
O5	C1	N03	C02	7.6°	115.3°
O5	C1	C2	N03	133.7°	120.0°
O5	C1	C2	H1	112.2°	119.9°
O5	C1	N03	H1	111.5°	120.0°
O5	C1	C2	O2	78.5°	62.3°
O5	C1	N03	N04	166.0°	64.8°
O5	C1	C2	H2	162.3°	177.6°
C1	O5	C5	H5	73.4°	58.9°
O01	C03	C01	C02	35.8°	0.3°
O01	C03	C01	H13	119.3°	120.0°
O01	C03	C01	H14	119.2°	120.0°
O01	C03	C01	N05	142.8°	179.9°
O01	C03	H13	H14	122.2°	120.0°
O3	C3	C2	H3	118.5°	120.2°
O3	C3	C2	C1	171.9°	176.9°
O3	C3	C2	O2	51.2°	57.0°
O3	C3	C2	H2	68.6°	63.2°
O3	C3	C4	H4	55.0°	57.0°
C3	C2	C1	O2	121.2°	119.9°
C3	C2	C1	H2	119.6°	120.0°
C3	C2	C1	N03	91.0°	62.3°
C3	C2	O2	H2	119.2°	120.2°
C3	C2	C1	H1	155.0°	177.6°
C3	C2	O2	HO2	180.0°	60.3°
C2	C3	O3	HO3	56.0°	60.0°
C2	C3	C4	H4	67.3°	62.9°
N03	C02	C01	H12	180.0°	179.9°
N03	C02	C01	C03	179.6°	179.7°
C02	N03	C1	C2	127.2°	124.8°
C02	N03	C1	N04	173.7°	180.0°
N03	C02	C01	N05	1.6°	0.1°
C02	N03	N04	N05	2.0°	0.0°
C02	N03	C1	H1	119.1°	4.8°
C02	C01	C03	N05	178.6°	179.6°
C01	C02	N03	C1	176.8°	179.9°
C01	C02	N03	N04	2.2°	0.0°
C02	C01	N05	N04	0.3°	0.1°
C02	C01	C03	H13	83.4°	120.3°
C02	C01	C03	H14	155.1°	119.6°
C03	C01	N05	N04	179.1°	179.7°
C03	C01	C02	H12	0.4°	0.4°
C01	C03	H13	H14	122.2°	120.1°
C01	C03	O01	H15	180.0°	180.0°
C2	C1	N03	H1	113.7°	120.1°
C1	C2	O2	H2	118.4°	120.1°
C2	C1	N03	N04	59.1°	55.1°
C1	C2	O2	HO2	57.5°	180.0°
C1	C2	C3	H3	69.6°	63.0°
N03	C1	C2	O2	147.9°	177.7°
C1	N03	N04	N05	176.8°	180.0°
N03	C1	C2	H2	28.6°	57.6°
C1	N03	C02	H12	3.2°	0.0°
O2	C2	C1	H1	33.8°	57.6°
O2	C2	C3	H3	169.7°	177.1°
N03	N04	N05	C01	1.1°	0.0°
N04	N03	C1	H1	54.6°	175.2°
N04	N03	C02	H12	177.8°	179.9°
N05	C01	C02	H12	178.4°	180.0°
N05	C01	C03	H13	97.9°	60.1°
N05	C01	C03	H14	23.5°	60.0°
H1	C1	C2	H2	85.5°	62.5°
H2	C2	O2	HO2	60.8°	59.9°
H2	C2	C3	H3	49.9°	56.9°
H3	C3	O3	HO3	61.7°	60.2°
H3	C3	C4	H4	174.2°	177.2°
H4	C4	O4	HO4	60.4°	60.1°
H4	C4	C5	H5	167.5°	177.7°
H5	C5	C6	H61	70.3°	65.0°
H5	C5	C6	H62	50.1°	175.0°
H61	C6	O6	HO6	60.3°	60.0°
H62	C6	O6	HO6	60.2°	60.0°
H13	C03	O01	H15	60.7°	60.0°
H14	C03	O01	H15	60.8°	60.0°

Release date:	2014-12-17
Definition date:	2014-05-02
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	4PF5