NG1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P1	OP1	sing	1.61Å	1.62Å
P1	OP2	sing	1.61Å	1.58Å
P1	OP3	doub	1.48Å	1.52Å
P1	O1	sing	1.61Å	1.64Å
OP1	HP1	sing	0.97Å	0.95Å
OP2	HP2	sing	0.97Å	0.95Å
C1	C2	sing	1.53Å	1.58Å
C1	O1	sing	1.43Å	1.35Å
C1	O5	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.56Å
C2	N2	sing	1.47Å	1.44Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.55Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.57Å
C4	O4	sing	1.43Å	1.44Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.44Å
C5	H5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.44Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.51Å	1.53Å
C7	N2	sing	1.35Å	1.35Å
C7	O7	doub	1.21Å	1.24Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.12Å
C8	H83	sing	1.09Å	1.11Å
N2	HN2	sing	0.97Å	1.02Å
O3	HO3	sing	0.97Å	0.95Å
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)
OP1	P1	OP2	110.4°	109.5°
OP1	P1	OP3	115.7°	109.5°
OP1	P1	O1	110.3°	109.5°
P1	OP1	HP1	110.4°	106.8°
OP2	P1	OP3	102.7°	109.5°
OP2	P1	O1	104.9°	109.5°
P1	OP2	HP2	110.4°	106.8°
OP3	P1	O1	112.0°	109.5°
P1	O1	C1	126.6°	106.8°
C2	C1	O1	113.1°	109.2°
C2	C1	O5	107.1°	109.8°
C2	C1	H1	107.2°	109.6°
C1	C2	C3	115.3°	109.1°
C1	C2	N2	110.0°	109.5°
C1	C2	H2	104.8°	109.5°
O1	C1	O5	104.8°	109.4°
O1	C1	H1	109.5°	109.4°
O5	C1	H1	115.2°	109.4°
C1	O5	C5	113.0°	107.7°
C3	C2	N2	108.9°	109.6°
C3	C2	H2	106.0°	109.6°
C2	C3	C4	110.1°	108.7°
C2	C3	O3	112.6°	109.6°
C2	C3	H3	107.1°	109.6°
N2	C2	H2	111.7°	109.5°
C2	N2	C7	120.6°	120.0°
C2	N2	HN2	122.9°	120.0°
C4	C3	O3	110.1°	109.7°
C4	C3	H3	109.8°	109.6°
C3	C4	C5	108.7°	109.0°
C3	C4	O4	110.8°	109.5°
C3	C4	H4	110.6°	109.5°
O3	C3	H3	107.0°	109.6°
C3	O3	HO3	112.6°	106.8°
C5	C4	O4	113.5°	109.7°
C5	C4	H4	107.8°	109.5°
C4	C5	C6	111.0°	109.4°
C4	C5	O5	108.0°	109.8°
C4	C5	H5	108.2°	109.4°
O4	C4	H4	105.4°	109.6°
C4	O4	HO4	110.8°	106.8°
C6	C5	O5	105.5°	109.3°
C6	C5	H5	110.6°	109.4°
C5	C6	O6	110.2°	109.5°
C5	C6	H61	112.0°	109.5°
C5	C6	H62	112.0°	109.5°
O5	C5	H5	113.6°	109.5°
O6	C6	H61	111.9°	109.4°
O6	C6	H62	111.9°	109.4°
C6	O6	HO6	110.2°	106.8°
H61	C6	H62	98.5°	109.5°
C8	C7	N2	119.6°	120.0°
C8	C7	O7	119.1°	120.0°
C7	C8	H81	119.6°	109.5°
C7	C8	H82	108.6°	109.5°
C7	C8	H83	108.6°	109.5°
N2	C7	O7	121.3°	120.1°
C7	N2	HN2	116.5°	120.0°
H81	C8	H82	108.6°	109.4°
H81	C8	H83	108.6°	109.5°
H82	C8	H83	101.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OP1	P1	OP2	OP3	123.9°	120.0°
OP1	P1	OP2	O1	118.9°	120.0°
OP1	P1	OP3	O1	127.6°	120.0°
OP1	P1	OP2	HP2	179.9°	60.0°
OP1	P1	O1	C1	36.1°	65.0°
OP2	P1	OP3	O1	112.1°	120.0°
OP2	P1	OP1	HP1	179.9°	60.0°
OP2	P1	O1	C1	155.0°	175.0°
OP3	P1	OP1	HP1	64.0°	180.0°
OP3	P1	OP2	HP2	56.2°	60.0°
OP3	P1	O1	C1	94.3°	55.0°
O1	P1	OP1	HP1	64.4°	60.0°
O1	P1	OP2	HP2	61.1°	180.0°
P1	O1	C1	C2	126.2°	149.8°
P1	O1	C1	O5	117.5°	90.0°
P1	O1	C1	H1	6.6°	29.8°
C2	C1	O1	O5	116.4°	120.2°
C2	C1	O1	H1	119.5°	120.0°
C2	C1	O5	H1	119.2°	120.3°
C1	C2	C3	N2	124.2°	119.9°
C1	C2	C3	H2	115.5°	119.9°
C1	C2	N2	H2	116.0°	120.1°
C1	C2	C3	C4	45.3°	53.7°
C1	C2	C3	O3	168.6°	173.6°
C1	C2	C3	H3	74.0°	66.1°
C2	C1	O5	C5	62.6°	67.4°
C1	C2	N2	C7	122.1°	85.2°
C1	C2	N2	HN2	57.9°	94.8°
O1	C1	O5	H1	120.4°	119.8°
O1	C1	C2	C3	65.8°	58.9°
O1	C1	C2	N2	57.7°	61.1°
O1	C1	C2	H2	178.0°	178.8°
O1	C1	O5	C5	57.9°	52.4°
O5	C1	C2	C3	49.2°	61.1°
O5	C1	C2	N2	172.7°	179.0°
O5	C1	C2	H2	67.0°	58.8°
C1	O5	C5	C4	71.6°	67.6°
C1	O5	C5	C6	169.6°	172.4°
C1	O5	C5	H5	48.3°	52.6°
H1	C1	C2	C3	173.4°	178.8°
H1	C1	C2	N2	63.1°	58.8°
H1	C1	C2	H2	57.2°	61.3°
H1	C1	O5	C5	178.3°	172.3°
C3	C2	N2	H2	116.8°	120.2°
C2	C3	C4	O3	124.7°	119.8°
C2	C3	C4	H3	117.7°	119.8°
C2	C3	O3	H3	117.5°	120.3°
C2	C3	C4	C5	49.8°	53.7°
C2	C3	C4	O4	75.5°	66.2°
C2	C3	C4	H4	167.9°	173.6°
C3	C2	N2	C7	110.7°	155.2°
C3	C2	N2	HN2	69.3°	24.8°
C2	C3	O3	HO3	180.0°	180.0°
N2	C2	C3	C4	169.5°	173.6°
N2	C2	C3	O3	67.3°	66.5°
N2	C2	C3	H3	50.2°	53.8°
C2	N2	C7	C8	171.1°	180.0°
C2	N2	C7	HN2	180.0°	180.0°
C2	N2	C7	O7	9.9°	0.0°
H2	C2	C3	C4	70.2°	66.2°
H2	C2	C3	O3	53.1°	53.7°
H2	C2	C3	H3	170.5°	174.0°
H2	C2	N2	C7	6.1°	35.0°
H2	C2	N2	HN2	173.9°	145.1°
C4	C3	O3	H3	119.3°	120.4°
C3	C4	C5	O4	123.7°	119.9°
C3	C4	C5	H4	119.9°	119.8°
C3	C4	O4	H4	119.7°	120.2°
C3	C4	C5	C6	177.2°	178.7°
C3	C4	C5	O5	62.0°	61.3°
C3	C4	C5	H5	61.2°	58.9°
C4	C3	O3	HO3	56.8°	60.8°
C3	C4	O4	HO4	180.0°	180.0°
O3	C3	C4	C5	174.5°	173.6°
O3	C3	C4	O4	49.2°	53.6°
O3	C3	C4	H4	67.4°	66.6°
H3	C3	C4	C5	67.9°	66.1°
H3	C3	C4	O4	166.8°	174.0°
H3	C3	C4	H4	50.2°	53.8°
H3	C3	O3	HO3	62.5°	59.6°
C5	C4	O4	H4	117.8°	120.3°
C4	C5	C6	O5	116.7°	120.3°
C4	C5	C6	H5	120.1°	119.9°
C4	C5	O5	H5	119.9°	120.2°
C4	C5	C6	O6	56.2°	175.0°
C4	C5	C6	H61	69.0°	55.0°
C4	C5	C6	H62	178.5°	65.0°
C5	C4	O4	HO4	57.5°	60.4°
O4	C4	C5	C6	53.4°	61.4°
O4	C4	C5	O5	61.7°	58.6°
O4	C4	C5	H5	175.0°	178.8°
H4	C4	C5	C6	63.0°	58.9°
H4	C4	C5	O5	178.1°	178.9°
H4	C4	C5	H5	58.6°	61.0°
H4	C4	O4	HO4	60.3°	59.8°
C6	C5	O5	H5	121.3°	119.8°
C5	C6	O6	H61	125.3°	120.0°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	117.9°	120.1°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	172.9°	64.7°
O5	C5	C6	H61	47.7°	175.3°
O5	C5	C6	H62	61.8°	55.3°
H5	C5	C6	O6	63.9°	55.1°
H5	C5	C6	H61	170.9°	64.8°
H5	C5	C6	H62	61.4°	175.1°
O6	C6	H61	H62	117.8°	119.9°
H61	C6	O6	HO6	54.7°	60.0°
H62	C6	O6	HO6	54.7°	60.0°
C8	C7	N2	O7	179.1°	180.0°
C7	C8	H81	H82	125.2°	120.0°
C7	C8	H81	H83	125.3°	120.0°
C7	C8	H82	H83	114.3°	120.0°
C8	C7	N2	HN2	8.9°	0.0°
N2	C7	C8	H81	180.0°	90.0°
N2	C7	C8	H82	54.8°	30.0°
N2	C7	C8	H83	54.7°	150.0°
O7	C7	C8	H81	1.0°	90.1°
O7	C7	C8	H82	126.2°	150.0°
O7	C7	C8	H83	124.4°	30.0°
O7	C7	N2	HN2	170.1°	180.0°
H81	C8	H82	H83	114.3°	120.0°

Definition date:	2005-06-27
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2A2C