DT6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.39Å
O1	HO1	sing	0.97Å	0.95Å
C2	C1	sing	1.53Å	1.54Å
C1	O5	sing	1.43Å	1.44Å
C1	H1	sing	1.09Å	1.10Å
N2	C2	sing	1.47Å	1.45Å
C2	C3	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.10Å
C7	N2	sing	1.35Å	1.33Å
N2	HN2	sing	0.97Å	1.00Å
O3	C3	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.54Å
C3	H3	sing	1.09Å	1.10Å
C9	N3	sing	1.35Å	1.34Å
C4	N3	sing	1.46Å	1.46Å
N3	HN3	sing	0.97Å	1.00Å
O3	HO3	sing	0.97Å	0.95Å
C4	C5	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.10Å
O5	C5	sing	1.43Å	1.45Å
C5	C6	sing	1.53Å	1.51Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.42Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
O7	C7	doub	1.21Å	1.24Å
C8	C7	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
O8	C9	doub	1.21Å	1.24Å
C9	C10	sing	1.51Å	1.53Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	HO1	109.5°	114.1°
O1	C1	C2	109.7°	109.5°
O1	C1	O5	108.6°	109.5°
O1	C1	H1	110.5°	109.4°
C2	C1	O5	109.8°	109.5°
C2	C1	H1	108.5°	109.5°
C1	C2	N2	109.9°	109.6°
C1	C2	C3	110.6°	109.2°
C1	C2	H2	107.8°	109.5°
O5	C1	H1	109.8°	109.5°
C1	O5	C5	113.1°	114.1°
N2	C2	C3	111.8°	109.5°
N2	C2	H2	109.0°	109.5°
C2	N2	C7	119.8°	120.0°
C2	N2	HN2	120.1°	120.0°
C3	C2	H2	107.8°	109.5°
C2	C3	O3	110.7°	109.6°
C2	C3	C4	108.2°	109.0°
C2	C3	H3	108.7°	109.5°
C7	N2	HN2	120.1°	120.0°
N2	C7	O7	122.8°	120.0°
N2	C7	C8	116.2°	120.0°
O3	C3	C4	110.5°	109.6°
O3	C3	H3	110.0°	109.6°
C3	O3	HO3	109.5°	114.1°
C4	C3	H3	108.7°	109.5°
C3	C4	N3	111.5°	109.5°
C3	C4	C5	108.7°	109.2°
C3	C4	H4	108.2°	109.5°
C9	N3	C4	121.5°	120.0°
C9	N3	HN3	119.2°	120.0°
N3	C9	O8	123.6°	120.0°
N3	C9	C10	115.8°	120.0°
C4	N3	HN3	119.2°	120.0°
N3	C4	C5	110.9°	109.5°
N3	C4	H4	109.2°	109.5°
C5	C4	H4	108.2°	109.6°
C4	C5	O5	110.6°	109.4°
C4	C5	C6	112.7°	109.5°
C4	C5	H5	108.3°	109.5°
O5	C5	C6	106.9°	109.5°
O5	C5	H5	109.5°	109.4°
C6	C5	H5	108.8°	109.5°
C5	C6	O6	110.7°	109.5°
C5	C6	H61	109.1°	109.5°
C5	C6	H62	109.2°	109.5°
O6	C6	H61	109.2°	109.5°
O6	C6	H62	109.2°	109.5°
C6	O6	HO6	109.5°	114.1°
H61	C6	H62	109.5°	109.4°
O7	C7	C8	121.0°	120.0°
C7	C8	H81	109.5°	109.5°
C7	C8	H82	109.5°	109.5°
C7	C8	H83	109.5°	109.4°
H81	C8	H82	109.5°	109.5°
H81	C8	H83	109.4°	109.5°
H82	C8	H83	109.5°	109.5°
O8	C9	C10	120.6°	120.0°
C9	C10	H10	109.5°	109.5°
C9	C10	H10A	109.4°	109.5°
C9	C10	H10B	109.5°	109.5°
H10	C10	H10A	109.5°	109.5°
H10	C10	H10B	109.5°	109.4°
H10A	C10	H10B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O5	119.3°	120.0°
O1	C1	C2	H1	120.8°	120.0°
O1	C1	O5	H1	120.9°	119.9°
O1	C1	C2	N2	59.9°	62.5°
O1	C1	C2	C3	176.2°	177.6°
O1	C1	C2	H2	58.7°	57.7°
O1	C1	O5	C5	178.9°	178.9°
HO1	O1	C1	C2	180.0°	180.0°
HO1	O1	C1	O5	60.0°	60.0°
HO1	O1	C1	H1	60.5°	60.0°
C2	C1	O5	H1	119.2°	120.0°
C1	C2	N2	C3	123.1°	119.7°
C1	C2	N2	H2	117.9°	120.2°
C1	C2	C3	H2	117.5°	119.9°
C1	C2	N2	C7	130.1°	84.9°
C1	C2	N2	HN2	49.9°	94.9°
C1	C2	C3	O3	178.1°	176.9°
C1	C2	C3	C4	56.9°	56.9°
C1	C2	C3	H3	61.1°	62.9°
C2	C1	O5	C5	59.0°	61.1°
O5	C1	C2	N2	179.2°	177.5°
O5	C1	C2	C3	57.0°	57.6°
O5	C1	C2	H2	60.6°	62.3°
C1	O5	C5	C4	60.8°	61.1°
C1	O5	C5	C6	176.2°	178.9°
C1	O5	C5	H5	58.5°	58.9°
H1	C1	C2	N2	60.8°	57.5°
H1	C1	C2	C3	63.0°	62.4°
H1	C1	C2	H2	179.5°	177.7°
H1	C1	O5	C5	60.2°	58.9°
N2	C2	C3	H2	119.7°	120.1°
C2	N2	C7	HN2	180.0°	179.9°
N2	C2	C3	O3	59.2°	63.2°
N2	C2	C3	C4	179.6°	176.9°
N2	C2	C3	H3	61.7°	57.1°
C2	N2	C7	O7	1.8°	0.1°
C2	N2	C7	C8	179.1°	180.0°
C3	C2	N2	C7	106.8°	155.3°
C3	C2	N2	HN2	73.3°	24.8°
C2	C3	O3	C4	119.8°	119.6°
C2	C3	O3	H3	120.1°	120.2°
C2	C3	C4	H3	117.9°	119.8°
C2	C3	C4	N3	179.7°	176.9°
C2	C3	O3	HO3	180.0°	60.0°
C2	C3	C4	C5	57.1°	56.9°
C2	C3	C4	H4	60.1°	63.0°
H2	C2	N2	C7	12.2°	35.2°
H2	C2	N2	HN2	167.8°	144.9°
H2	C2	C3	O3	60.5°	57.0°
H2	C2	C3	C4	60.7°	63.0°
H2	C2	C3	H3	178.6°	177.2°
N2	C7	O7	C8	179.0°	179.9°
N2	C7	C8	H81	179.1°	0.0°
N2	C7	C8	H82	59.1°	120.0°
N2	C7	C8	H83	60.9°	119.9°
HN2	N2	C7	O7	178.2°	180.0°
HN2	N2	C7	C8	0.9°	0.1°
O3	C3	C4	H3	120.7°	120.3°
O3	C3	C4	N3	59.0°	63.2°
O3	C3	C4	C5	178.4°	176.9°
O3	C3	C4	H4	61.2°	56.9°
C3	C4	N3	C9	128.2°	155.0°
C3	C4	N3	C5	121.3°	119.7°
C3	C4	N3	H4	119.5°	120.0°
C3	C4	N3	HN3	51.8°	25.1°
C4	C3	O3	HO3	60.1°	179.6°
C3	C4	C5	H4	117.2°	119.9°
C3	C4	C5	O5	58.9°	57.6°
C3	C4	C5	C6	178.5°	177.6°
C3	C4	C5	H5	61.1°	62.3°
H3	C3	C4	N3	61.8°	57.1°
H3	C3	O3	HO3	59.9°	60.2°
H3	C3	C4	C5	60.8°	62.9°
H3	C3	C4	H4	178.1°	177.1°
C9	N3	C4	HN3	180.0°	179.9°
C9	N3	C4	C5	110.5°	85.3°
C9	N3	C4	H4	8.7°	35.0°
N3	C9	O8	C10	179.9°	180.0°
N3	C9	C10	H10	179.9°	90.0°
N3	C9	C10	H10A	60.1°	30.0°
N3	C9	C10	H10B	59.9°	150.0°
N3	C4	C5	H4	119.8°	120.2°
N3	C4	C5	O5	178.1°	177.5°
N3	C4	C5	C6	58.5°	62.5°
N3	C4	C5	H5	61.9°	57.6°
C4	N3	C9	O8	0.1°	0.0°
C4	N3	C9	C10	179.9°	179.9°
HN3	N3	C4	C5	69.6°	94.6°
HN3	N3	C4	H4	171.3°	145.1°
HN3	N3	C9	O8	180.0°	179.9°
HN3	N3	C9	C10	0.1°	0.0°
C4	C5	O5	C6	123.0°	120.0°
C4	C5	O5	H5	119.3°	119.9°
C4	C5	C6	H5	120.2°	120.1°
C4	C5	C6	O6	75.6°	175.0°
C4	C5	C6	H61	44.6°	55.0°
C4	C5	C6	H62	164.2°	64.9°
H4	C4	C5	O5	58.3°	62.3°
H4	C4	C5	C6	61.3°	57.7°
H4	C4	C5	H5	178.3°	177.8°
O5	C5	C6	H5	118.2°	120.0°
O5	C5	C6	O6	162.7°	65.0°
O5	C5	C6	H61	77.1°	174.9°
O5	C5	C6	H62	42.5°	55.0°
C5	C6	O6	H61	120.2°	120.0°
C5	C6	O6	H62	120.2°	120.1°
C5	C6	H61	H62	119.4°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
H5	C5	C6	O6	44.6°	54.9°
H5	C5	C6	H61	164.8°	65.1°
H5	C5	C6	H62	75.6°	175.0°
O6	C6	H61	H62	119.5°	120.0°
H61	C6	O6	HO6	59.8°	60.0°
H62	C6	O6	HO6	59.8°	59.9°
O7	C7	C8	H81	0.0°	179.9°
O7	C7	C8	H82	120.0°	60.0°
O7	C7	C8	H83	120.0°	60.0°
C7	C8	H81	H82	120.0°	120.0°
C7	C8	H81	H83	120.0°	119.9°
C7	C8	H82	H83	120.0°	120.0°
H81	C8	H82	H83	120.0°	120.0°
O8	C9	C10	H10	0.0°	90.0°
O8	C9	C10	H10A	120.0°	150.0°
O8	C9	C10	H10B	120.0°	30.0°
C9	C10	H10	H10A	120.0°	120.0°
C9	C10	H10	H10B	120.0°	120.0°
C9	C10	H10A	H10B	120.0°	120.0°
H10	C10	H10A	H10B	120.0°	120.0°

Definition date:	2006-06-29
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	2HI2