MQG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C6	sing	1.43Å	1.44Å
C6	C5	sing	1.53Å	1.51Å
O4	C4	sing	1.43Å	1.43Å
C4	C5	sing	1.53Å	1.55Å
C4	C3	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.46Å
O3	C3	sing	1.43Å	1.47Å
O5	C1	sing	1.43Å	1.38Å
C3	C2	sing	1.53Å	1.51Å
C2	C1	sing	1.53Å	1.54Å
C2	N2	sing	1.47Å	1.43Å
C1	O1	sing	1.43Å	1.41Å
O71	P7	doub	1.48Å	1.62Å
O72	P7	sing	1.61Å	1.52Å
N2	P7	sing	1.68Å	1.78Å
P7	C8	sing	1.82Å	1.79Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
O72	H13	sing	0.97Å	0.95Å
N2	HN21	sing	1.01Å	1.00Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	C5	107.0°	109.5°
O6	C6	H61	110.1°	109.5°
O6	C6	H62	110.1°	109.5°
C6	O6	HO6	109.5°	114.1°
C6	C5	C4	110.3°	109.5°
C6	C5	O5	110.8°	109.5°
C6	C5	H5	108.3°	109.5°
C5	C6	H61	110.1°	109.5°
C5	C6	H62	110.1°	109.5°
O4	C4	C5	110.0°	109.5°
O4	C4	C3	110.6°	109.5°
O4	C4	H4	109.9°	109.6°
C4	O4	HO4	109.5°	114.0°
C5	C4	C3	109.1°	109.1°
C4	C5	O5	110.5°	109.4°
C5	C4	H4	108.3°	109.5°
C4	C5	H5	107.8°	109.5°
C4	C3	O3	109.4°	109.6°
C4	C3	C2	108.1°	109.1°
C4	C3	H3	108.1°	109.6°
C3	C4	H4	108.8°	109.6°
C5	O5	C1	111.6°	114.1°
O5	C5	H5	109.1°	109.5°
O3	C3	C2	114.2°	109.5°
O3	C3	H3	108.7°	109.5°
C3	O3	HO3	109.5°	114.0°
O5	C1	C2	104.8°	109.4°
O5	C1	O1	105.3°	109.5°
O5	C1	H1	114.5°	109.5°
C3	C2	C1	111.3°	109.1°
C3	C2	N2	112.1°	109.5°
C3	C2	H2	109.2°	109.6°
C2	C3	H3	108.2°	109.6°
C1	C2	N2	104.8°	109.5°
C2	C1	O1	105.7°	109.5°
C1	C2	H2	108.8°	109.5°
C2	C1	H1	111.8°	109.5°
C2	N2	P7	117.3°	111.0°
N2	C2	H2	110.4°	109.6°
C2	N2	HN21	107.5°	111.0°
C1	O1	HO1	109.5°	114.0°
O1	C1	H1	113.9°	109.5°
O71	P7	O72	104.0°	109.5°
O71	P7	N2	117.8°	109.5°
O71	P7	C8	114.6°	109.5°
O72	P7	N2	110.9°	109.5°
O72	P7	C8	102.9°	109.5°
P7	O72	H13	109.5°	114.0°
N2	P7	C8	105.7°	109.5°
P7	N2	HN21	107.5°	111.0°
P7	C8	H7	109.5°	109.5°
P7	C8	H8	109.5°	109.5°
P7	C8	H9	109.5°	109.4°
H61	C6	H62	109.5°	109.5°
H7	C8	H8	109.5°	109.5°
H7	C8	H9	109.5°	109.5°
H8	C8	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	C5	H61	119.6°	120.0°
O6	C6	C5	H62	119.6°	120.0°
O6	C6	C5	C4	72.3°	175.0°
O6	C6	C5	O5	50.3°	65.0°
O6	C6	C5	H5	170.0°	55.0°
O6	C6	H61	H62	121.1°	120.0°
C6	C5	C4	O4	61.4°	62.5°
C6	C5	C4	O5	122.8°	119.9°
C6	C5	C4	H5	118.1°	120.0°
C6	C5	C4	C3	177.0°	177.6°
C6	C5	O5	H5	119.1°	120.0°
C6	C5	O5	C1	173.0°	178.9°
C6	C5	C4	H4	58.8°	57.7°
C5	C6	H61	H62	121.1°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O4	C4	C5	C3	121.6°	119.8°
O4	C4	C5	H4	120.1°	120.2°
O4	C4	C3	H4	120.9°	120.2°
O4	C4	C5	O5	175.8°	177.5°
O4	C4	C3	O3	62.0°	63.3°
O4	C4	C3	C2	173.1°	176.9°
O4	C4	C3	H3	56.2°	56.9°
O4	C4	C5	H5	56.7°	57.5°
C5	C4	C3	H4	117.9°	119.9°
C4	C5	O5	H5	118.4°	120.1°
C5	C4	C3	O3	176.8°	176.9°
C4	C5	O5	C1	64.5°	61.2°
C5	C4	C3	C2	51.9°	57.1°
C5	C4	C3	H3	65.0°	62.9°
C4	C5	C6	H61	47.4°	55.0°
C4	C5	C6	H62	168.1°	65.0°
C5	C4	O4	HO4	180.0°	60.1°
C3	C4	C5	O5	54.2°	57.7°
C4	C3	O3	C2	121.3°	119.6°
C4	C3	O3	H3	117.8°	120.2°
C4	C3	C2	H3	116.8°	120.0°
C4	C3	C2	C1	58.7°	57.0°
C4	C3	C2	N2	175.8°	176.9°
C4	C3	C2	H2	61.5°	62.9°
C3	C4	C5	H5	64.9°	62.4°
C4	C3	O3	HO3	180.0°	60.4°
C3	C4	O4	HO4	59.3°	179.7°
C5	O5	C1	C2	66.9°	61.1°
C5	O5	C1	O1	178.2°	178.8°
O5	C5	C4	H4	64.0°	62.2°
O5	C5	C6	H61	170.0°	175.0°
O5	C5	C6	H62	69.3°	55.0°
C5	O5	C1	H1	56.0°	58.8°
O3	C3	C2	H3	121.1°	120.2°
O3	C3	C2	C1	179.2°	176.9°
O3	C3	C2	N2	62.1°	63.2°
O3	C3	C2	H2	60.6°	57.0°
O3	C3	C4	H4	58.9°	57.0°
O5	C1	C2	C3	65.2°	57.6°
O5	C1	C2	O1	111.0°	120.0°
O5	C1	C2	H1	124.6°	120.0°
O5	C1	C2	N2	173.3°	177.5°
O5	C1	O1	H1	126.2°	120.0°
O5	C1	C2	H2	55.2°	62.4°
C1	O5	C5	H5	53.9°	58.9°
O5	C1	O1	HO1	180.0°	60.0°
C3	C2	C1	N2	121.4°	119.9°
C3	C2	C1	H2	120.5°	120.0°
C3	C2	N2	H2	122.0°	120.2°
C3	C2	C1	O1	176.2°	177.6°
C3	C2	N2	P7	94.8°	145.4°
C2	C3	C4	H4	66.1°	62.8°
C3	C2	C1	H1	59.3°	62.3°
C2	C3	O3	HO3	58.7°	180.0°
C3	C2	N2	HN21	26.3°	21.5°
C1	C2	N2	H2	117.0°	120.1°
C2	C1	O1	H1	123.1°	120.0°
C1	C2	N2	P7	144.3°	95.0°
C1	C2	C3	H3	58.1°	62.9°
C2	C1	O1	HO1	69.3°	180.0°
C1	C2	N2	HN21	94.6°	141.1°
N2	C2	C1	O1	62.3°	62.5°
C2	N2	P7	O71	47.4°	60.0°
C2	N2	P7	O72	72.2°	60.0°
C2	N2	P7	HN21	121.1°	123.9°
C2	N2	P7	C8	177.0°	180.0°
N2	C2	C3	H3	59.0°	56.9°
N2	C2	C1	H1	62.1°	57.5°
O1	C1	C2	H2	55.8°	57.6°
O71	P7	O72	N2	127.6°	120.0°
O71	P7	O72	C8	119.8°	120.0°
O71	P7	N2	C8	129.6°	120.0°
O71	P7	C8	H7	180.0°	60.0°
O71	P7	C8	H8	60.0°	180.0°
O71	P7	C8	H9	60.0°	60.0°
O71	P7	O72	H13	0.0°	180.0°
O71	P7	N2	HN21	168.5°	176.1°
O72	P7	N2	C8	110.8°	120.0°
O72	P7	C8	H7	67.8°	60.0°
O72	P7	C8	H8	172.2°	60.0°
O72	P7	C8	H9	52.2°	180.0°
O72	P7	N2	HN21	48.9°	64.0°
P7	N2	C2	H2	27.2°	25.1°
N2	P7	C8	H7	48.6°	180.0°
N2	P7	C8	H8	71.5°	60.0°
N2	P7	C8	H9	168.6°	60.0°
N2	P7	O72	H13	127.6°	60.0°
P7	C8	H7	H8	120.0°	120.0°
P7	C8	H7	H9	120.0°	120.0°
P7	C8	H8	H9	120.0°	120.0°
C8	P7	O72	H13	119.8°	60.0°
C8	P7	N2	HN21	61.9°	56.1°
H2	C2	C3	H3	178.3°	177.2°
H2	C2	C1	H1	179.8°	177.7°
H2	C2	N2	HN21	148.3°	98.8°
H3	C3	C4	H4	177.1°	177.2°
H3	C3	O3	HO3	62.2°	59.8°
H4	C4	C5	H5	176.9°	177.7°
H4	C4	O4	HO4	60.8°	60.1°
H5	C5	C6	H61	70.4°	65.0°
H5	C5	C6	H62	50.4°	175.0°
H61	C6	O6	HO6	60.3°	60.0°
H62	C6	O6	HO6	60.4°	60.0°
H7	C8	H8	H9	120.0°	120.0°
HO1	O1	C1	H1	53.8°	60.0°

Release date:	2016-08-10
Definition date:	2016-01-19
Last modified:	2020-07-17
Release status:	REL
Processing site:	PDBJ
Derived from:	5B2E