MGC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C6	sing	1.43Å	1.41Å
O6	HO6	sing	0.97Å	0.95Å
C6	C5	sing	1.53Å	1.54Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C5	O5	sing	1.43Å	1.52Å
C5	C4	sing	1.53Å	1.60Å
C5	H5	sing	1.09Å	1.10Å
O5	C1	sing	1.43Å	1.49Å
C1	O1	sing	1.43Å	1.44Å
C1	C2	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
O1	CM	sing	1.43Å	1.56Å
CM	HM1	sing	1.09Å	1.10Å
CM	HM2	sing	1.09Å	1.10Å
CM	HM3	sing	1.09Å	1.10Å
C2	N2	sing	1.46Å	1.41Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.10Å
N2	C7	sing	1.35Å	1.36Å
N2	HN2	sing	0.97Å	1.00Å
C7	O7	doub	1.21Å	1.24Å
C7	C8	sing	1.51Å	1.52Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C8	H83	sing	1.09Å	1.10Å
C3	O3	sing	1.43Å	1.40Å
C3	C4	sing	1.53Å	1.57Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.45Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	O6	HO6	109.5°	106.7°
O6	C6	C5	113.3°	109.5°
O6	C6	H61	107.4°	109.5°
O6	C6	H62	108.2°	109.5°
C5	C6	H61	107.4°	109.4°
C5	C6	H62	108.2°	109.5°
C6	C5	O5	111.8°	109.4°
C6	C5	C4	112.8°	109.4°
C6	C5	H5	104.9°	109.4°
H61	C6	H62	112.5°	109.5°
O5	C5	C4	107.6°	109.8°
O5	C5	H5	110.4°	109.4°
C5	O5	C1	117.5°	107.6°
C4	C5	H5	109.4°	109.4°
C5	C4	C3	106.2°	109.0°
C5	C4	O4	111.5°	109.5°
C5	C4	H4	109.5°	109.5°
O5	C1	O1	108.5°	109.4°
O5	C1	C2	108.9°	109.8°
O5	C1	H1	111.4°	109.4°
O1	C1	C2	112.1°	109.4°
O1	C1	H1	108.2°	109.4°
C1	O1	CM	120.9°	106.8°
C2	C1	H1	107.8°	109.4°
C1	C2	N2	102.7°	109.6°
C1	C2	C3	110.2°	109.1°
C1	C2	H2	116.3°	109.6°
O1	CM	HM1	109.5°	109.5°
O1	CM	HM2	109.4°	109.5°
O1	CM	HM3	109.5°	109.5°
HM1	CM	HM2	109.5°	109.5°
HM1	CM	HM3	109.5°	109.5°
HM2	CM	HM3	109.5°	109.5°
N2	C2	C3	117.0°	109.6°
N2	C2	H2	109.4°	109.6°
C2	N2	C7	124.8°	120.0°
C2	N2	HN2	117.6°	120.0°
C3	C2	H2	101.8°	109.5°
C2	C3	O3	108.1°	109.7°
C2	C3	C4	110.7°	108.6°
C2	C3	H3	109.1°	109.6°
C7	N2	HN2	117.6°	120.0°
N2	C7	O7	123.4°	120.0°
N2	C7	C8	117.4°	120.0°
O7	C7	C8	119.2°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.5°
H81	C8	H82	109.5°	109.5°
H81	C8	H83	109.4°	109.4°
H82	C8	H83	109.5°	109.5°
O3	C3	C4	108.2°	109.6°
O3	C3	H3	111.7°	109.7°
C3	O3	HO3	109.5°	106.8°
C4	C3	H3	109.1°	109.6°
C3	C4	O4	106.7°	109.6°
C3	C4	H4	114.0°	109.5°
O4	C4	H4	109.0°	109.6°
C4	O4	HO4	109.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	C5	H61	118.3°	120.0°
O6	C6	C5	H62	120.0°	120.0°
O6	C6	H61	H62	119.0°	120.1°
O6	C6	C5	O5	47.0°	65.0°
O6	C6	C5	C4	74.4°	174.7°
O6	C6	C5	H5	166.6°	54.9°
HO6	O6	C6	C5	149.2°	180.0°
HO6	O6	C6	H61	30.8°	60.1°
HO6	O6	C6	H62	90.9°	60.0°
C5	C6	H61	H62	118.9°	120.0°
C6	C5	O5	C4	124.3°	120.0°
C6	C5	O5	H5	116.4°	119.9°
C6	C5	C4	H5	116.3°	119.8°
C6	C5	O5	C1	179.1°	172.4°
C6	C5	C4	C3	179.8°	178.6°
C6	C5	C4	O4	64.4°	61.4°
C6	C5	C4	H4	56.2°	58.8°
H61	C6	C5	O5	71.4°	175.0°
H61	C6	C5	C4	167.3°	54.7°
H61	C6	C5	H5	48.3°	65.1°
H62	C6	C5	O5	166.9°	55.0°
H62	C6	C5	C4	45.6°	65.3°
H62	C6	C5	H5	73.4°	174.9°
O5	C5	C4	H5	119.9°	120.1°
C5	O5	C1	O1	67.4°	52.6°
C5	O5	C1	C2	54.9°	67.6°
C5	O5	C1	H1	173.6°	172.4°
O5	C5	C4	C3	56.5°	61.3°
O5	C5	C4	O4	59.3°	58.7°
O5	C5	C4	H4	180.0°	178.9°
C4	C5	O5	C1	56.6°	67.5°
C5	C4	C3	C2	62.7°	53.7°
C5	C4	C3	O3	179.0°	173.6°
C5	C4	C3	O4	119.0°	119.9°
C5	C4	C3	H4	120.6°	119.8°
C5	C4	C3	H3	57.4°	66.0°
C5	C4	O4	H4	121.0°	120.2°
C5	C4	O4	HO4	36.5°	60.0°
H5	C5	O5	C1	62.7°	52.5°
H5	C5	C4	C3	63.5°	58.8°
H5	C5	C4	O4	179.2°	178.8°
H5	C5	C4	H4	60.1°	61.0°
O5	C1	O1	C2	120.3°	120.3°
O5	C1	O1	H1	121.0°	119.8°
O5	C1	C2	H1	121.0°	120.1°
O5	C1	O1	CM	59.8°	69.8°
O5	C1	C2	N2	179.7°	178.8°
O5	C1	C2	C3	55.0°	61.3°
O5	C1	C2	H2	60.2°	58.6°
O1	C1	C2	H1	118.9°	119.8°
C1	O1	CM	HM1	63.0°	60.0°
C1	O1	CM	HM2	177.0°	180.0°
C1	O1	CM	HM3	57.0°	60.0°
O1	C1	C2	N2	60.3°	61.1°
O1	C1	C2	C3	65.1°	58.8°
O1	C1	C2	H2	179.8°	178.7°
C2	C1	O1	CM	179.9°	169.9°
C1	C2	N2	C3	120.8°	119.6°
C1	C2	N2	H2	124.1°	120.2°
C1	C2	C3	H2	124.0°	119.9°
C1	C2	N2	C7	136.1°	85.3°
C1	C2	N2	HN2	43.9°	94.6°
C1	C2	C3	O3	178.9°	173.6°
C1	C2	C3	C4	62.8°	53.8°
C1	C2	C3	H3	57.3°	66.0°
H1	C1	O1	CM	61.2°	50.0°
H1	C1	C2	N2	58.6°	58.7°
H1	C1	C2	C3	176.0°	178.6°
H1	C1	C2	H2	60.8°	61.5°
O1	CM	HM1	HM2	120.0°	120.0°
O1	CM	HM1	HM3	120.0°	120.0°
O1	CM	HM2	HM3	120.0°	120.0°
HM1	CM	HM2	HM3	120.0°	120.0°
N2	C2	C3	H2	119.2°	120.2°
C2	N2	C7	HN2	180.0°	179.9°
C2	N2	C7	O7	20.5°	0.1°
C2	N2	C7	C8	159.2°	180.0°
N2	C2	C3	O3	62.1°	66.5°
N2	C2	C3	C4	179.6°	173.7°
N2	C2	C3	H3	59.5°	54.0°
C3	C2	N2	C7	103.0°	155.0°
C3	C2	N2	HN2	77.0°	25.0°
C2	C3	O3	C4	119.9°	119.2°
C2	C3	O3	H3	120.0°	120.5°
C2	C3	C4	H3	120.1°	119.7°
C2	C3	O3	HO3	79.9°	179.2°
C2	C3	C4	O4	56.2°	66.2°
C2	C3	C4	H4	176.6°	173.6°
H2	C2	N2	C7	12.0°	34.9°
H2	C2	N2	HN2	168.0°	145.2°
H2	C2	C3	O3	57.1°	53.7°
H2	C2	C3	C4	61.2°	66.1°
H2	C2	C3	H3	178.7°	174.2°
N2	C7	O7	C8	179.7°	180.0°
N2	C7	C8	H81	70.8°	0.0°
N2	C7	C8	H82	49.2°	120.0°
N2	C7	C8	H83	169.2°	120.0°
HN2	N2	C7	O7	159.5°	180.0°
HN2	N2	C7	C8	20.8°	0.0°
O7	C7	C8	H81	109.4°	180.0°
O7	C7	C8	H82	130.5°	60.0°
O7	C7	C8	H83	10.5°	60.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	120.0°
C7	C8	H82	H83	120.0°	120.0°
H81	C8	H82	H83	120.0°	120.0°
O3	C3	C4	H3	121.6°	120.4°
O3	C3	C4	O4	62.0°	53.7°
O3	C3	C4	H4	58.4°	66.6°
C4	C3	O3	HO3	40.1°	60.0°
C3	C4	O4	H4	123.5°	120.2°
C3	C4	O4	HO4	152.0°	179.6°
H3	C3	O3	HO3	160.1°	60.3°
H3	C3	C4	O4	176.4°	174.1°
H3	C3	C4	H4	63.3°	53.8°
H4	C4	O4	HO4	84.5°	60.2°

Definition date:	2003-07-02
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1UGX