HTM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1A	C1	doub	1.22Å	1.37Å
C1	C2	sing	1.47Å	1.42Å
C1	O1B	sing	1.35Å	1.29Å
C2	C3	doub	1.32Å	1.53Å
C2	O6	sing	1.36Å	1.32Å
C3	C4	sing	1.50Å	1.57Å
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.45Å
C4	H4	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.55Å
C5	N5	sing	1.46Å	1.48Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.46Å
C6	O7	sing	1.43Å	1.54Å
C6	H6	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.54Å
C7	O7	sing	1.43Å	1.55Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	C9	sing	1.53Å	1.40Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	O9	sing	1.43Å	1.37Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C10	C11	sing	1.51Å	1.51Å
C10	N5	sing	1.35Å	1.33Å
C10	O10	doub	1.21Å	1.38Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H113	sing	1.09Å	1.10Å
N5	HN5	sing	0.97Å	1.00Å
O4	HO4	sing	0.97Å	0.95Å
O9	HO9	sing	0.97Å	0.95Å
O1B	HO1B	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1A	C1	C2	121.1°	120.0°
O1A	C1	O1B	118.0°	120.0°
C2	C1	O1B	120.8°	120.0°
C1	C2	C3	120.9°	118.5°
C1	C2	O6	114.6°	118.5°
C1	O1B	HO1B	109.5°	116.9°
C3	C2	O6	124.5°	123.0°
C2	C3	C4	112.0°	122.3°
C2	C3	H3	124.0°	118.9°
C2	O6	C6	122.6°	117.7°
C4	C3	H3	124.0°	118.9°
C3	C4	C5	112.0°	109.5°
C3	C4	O4	107.5°	109.5°
C3	C4	H4	108.0°	109.4°
C5	C4	O4	111.2°	109.5°
C5	C4	H4	108.5°	109.4°
C4	C5	C6	108.2°	108.3°
C4	C5	N5	107.1°	109.8°
C4	C5	H5	109.6°	109.7°
O4	C4	H4	109.5°	109.5°
C4	O4	HO4	109.5°	114.0°
C6	C5	N5	112.1°	109.7°
C6	C5	H5	109.3°	109.7°
C5	C6	O6	109.1°	108.5°
C5	C6	O7	112.8°	109.7°
C5	C6	H6	109.1°	109.7°
N5	C5	H5	110.4°	109.8°
C5	N5	C10	128.4°	120.0°
C5	N5	HN5	115.8°	120.0°
O6	C6	O7	106.1°	109.7°
O6	C6	H6	110.4°	109.5°
O7	C6	H6	109.3°	109.8°
C6	O7	C7	114.6°	114.0°
C8	C7	O7	113.1°	109.4°
C8	C7	H71	108.6°	109.5°
C8	C7	H72	108.6°	109.4°
C7	C8	C9	116.8°	109.4°
C7	C8	H81	107.6°	109.4°
C7	C8	H82	107.6°	109.5°
O7	C7	H71	108.5°	109.5°
O7	C7	H72	108.5°	109.5°
H71	C7	H72	109.5°	109.5°
C9	C8	H81	107.6°	109.5°
C9	C8	H82	107.6°	109.5°
C8	C9	O9	121.6°	109.4°
C8	C9	H91	106.3°	109.5°
C8	C9	H92	106.4°	109.5°
H81	C8	H82	109.5°	109.5°
O9	C9	H91	106.4°	109.5°
O9	C9	H92	106.3°	109.5°
C9	O9	HO9	109.5°	114.0°
H91	C9	H92	109.5°	109.5°
C11	C10	N5	118.1°	119.9°
C11	C10	O10	118.1°	120.0°
C10	C11	H111	109.5°	109.5°
C10	C11	H112	109.5°	109.5°
C10	C11	H113	109.4°	109.5°
N5	C10	O10	123.8°	120.0°
C10	N5	HN5	115.8°	120.0°
H111	C11	H112	109.5°	109.4°
H111	C11	H113	109.5°	109.5°
H112	C11	H113	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1A	C1	C2	O1B	179.5°	179.8°
O1A	C1	C2	C3	179.5°	0.0°
O1A	C1	C2	O6	0.7°	179.7°
O1A	C1	O1B	HO1B	0.0°	0.0°
C1	C2	C3	O6	179.8°	179.7°
C1	C2	C3	C4	178.0°	179.6°
C1	C2	C3	H3	2.0°	0.4°
C1	C2	O6	C6	173.8°	163.6°
C2	C1	O1B	HO1B	179.5°	179.7°
O1B	C1	C2	C3	0.1°	179.8°
O1B	C1	C2	O6	179.9°	0.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	29.3°	17.5°
C2	C3	C4	O4	151.8°	137.5°
C2	C3	C4	H4	90.1°	102.5°
C3	C2	O6	C6	6.4°	16.1°
O6	C2	C3	C4	2.2°	0.1°
O6	C2	C3	H3	177.7°	179.9°
C2	O6	C6	C5	35.8°	47.4°
C2	O6	C6	O7	157.6°	167.3°
C2	O6	C6	H6	84.1°	72.2°
C3	C4	C5	O4	120.4°	120.1°
C3	C4	C5	H4	119.1°	120.0°
C3	C4	O4	H4	117.1°	120.0°
C3	C4	C5	C6	58.4°	47.1°
C3	C4	C5	N5	179.5°	166.8°
C3	C4	C5	H5	60.7°	72.5°
C3	C4	O4	HO4	180.0°	59.9°
H3	C3	C4	C5	150.7°	162.4°
H3	C3	C4	O4	28.2°	42.4°
H3	C3	C4	H4	89.9°	77.6°
C5	C4	O4	H4	119.9°	120.0°
C4	C5	C6	N5	117.9°	119.7°
C4	C5	C6	H5	119.3°	119.6°
C4	C5	N5	H5	119.3°	120.6°
C4	C5	C6	O6	60.7°	62.8°
C4	C5	C6	O7	178.4°	177.4°
C4	C5	C6	H6	60.0°	56.7°
C4	C5	N5	C10	119.4°	85.0°
C4	C5	N5	HN5	60.6°	95.0°
C5	C4	O4	HO4	57.0°	180.0°
O4	C4	C5	C6	178.8°	167.2°
O4	C4	C5	N5	60.1°	73.1°
O4	C4	C5	H5	59.7°	47.5°
H4	C4	C5	C6	60.7°	72.8°
H4	C4	C5	N5	60.4°	46.9°
H4	C4	C5	H5	179.8°	167.5°
H4	C4	O4	HO4	62.9°	60.0°
C6	C5	N5	H5	122.2°	120.6°
C5	C6	O6	O7	121.8°	119.8°
C5	C6	O6	H6	119.9°	119.7°
C5	C6	O7	H6	121.5°	120.6°
C5	C6	O7	C7	179.6°	175.0°
C6	C5	N5	C10	122.1°	156.2°
C6	C5	N5	HN5	57.9°	23.8°
N5	C5	C6	O6	178.6°	177.5°
N5	C5	C6	O7	63.7°	57.7°
N5	C5	C6	H6	57.9°	63.0°
C5	N5	C10	C11	180.0°	180.0°
C5	N5	C10	HN5	180.0°	180.0°
C5	N5	C10	O10	0.0°	0.0°
H5	C5	C6	O6	58.6°	56.9°
H5	C5	C6	O7	59.1°	63.0°
H5	C5	C6	H6	179.3°	176.4°
H5	C5	N5	C10	0.1°	35.6°
H5	C5	N5	HN5	179.9°	144.4°
O6	C6	O7	H6	119.1°	120.3°
O6	C6	O7	C7	60.2°	66.0°
C6	O7	C7	C8	178.5°	180.0°
C6	O7	C7	H71	57.9°	60.1°
C6	O7	C7	H72	61.0°	60.0°
H6	C6	O7	C7	58.9°	54.3°
C8	C7	O7	H71	120.6°	120.0°
C8	C7	O7	H72	120.5°	120.0°
C8	C7	H71	H72	118.4°	120.0°
C7	C8	C9	H81	121.1°	120.0°
C7	C8	C9	H82	121.1°	120.0°
C7	C8	H81	H82	116.7°	120.0°
C7	C8	C9	O9	180.0°	180.0°
C7	C8	C9	H91	58.3°	60.0°
C7	C8	C9	H92	58.3°	60.0°
O7	C7	H71	H72	118.3°	120.1°
O7	C7	C8	C9	83.4°	180.0°
O7	C7	C8	H81	37.7°	60.0°
O7	C7	C8	H82	155.6°	60.0°
H71	C7	C8	C9	37.2°	60.0°
H71	C7	C8	H81	158.2°	60.0°
H71	C7	C8	H82	83.9°	180.0°
H72	C7	C8	C9	156.1°	60.0°
H72	C7	C8	H81	82.8°	180.0°
H72	C7	C8	H82	35.0°	60.0°
C9	C8	H81	H82	116.6°	120.0°
C8	C9	O9	H91	121.7°	120.0°
C8	C9	O9	H92	121.7°	120.0°
C8	C9	H91	H92	114.5°	120.0°
C8	C9	O9	HO9	180.0°	180.0°
H81	C8	C9	O9	58.9°	60.0°
H81	C8	C9	H91	179.4°	179.9°
H81	C8	C9	H92	62.8°	59.9°
H82	C8	C9	O9	58.9°	60.0°
H82	C8	C9	H91	62.8°	60.0°
H82	C8	C9	H92	179.4°	180.0°
O9	C9	H91	H92	114.5°	120.0°
H91	C9	O9	HO9	58.3°	60.0°
H92	C9	O9	HO9	58.3°	60.0°
C11	C10	N5	O10	180.0°	180.0°
C10	C11	H111	H112	120.0°	119.9°
C10	C11	H111	H113	120.0°	120.0°
C10	C11	H112	H113	120.0°	120.0°
C11	C10	N5	HN5	0.0°	0.0°
N5	C10	C11	H111	180.0°	90.1°
N5	C10	C11	H112	60.0°	150.0°
N5	C10	C11	H113	60.0°	30.0°
O10	C10	C11	H111	0.0°	90.0°
O10	C10	C11	H112	120.0°	29.9°
O10	C10	C11	H113	120.0°	150.0°
O10	C10	N5	HN5	180.0°	180.0°
H111	C11	H112	H113	120.0°	120.0°

Definition date:	2005-11-28
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2F12