UN6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	S1	sing	1.52Å	1.47Å
O7	HO7	sing	0.97Å	0.95Å
S1	O5	doub	1.42Å	1.48Å
S1	O6	doub	1.42Å	1.47Å
S1	N1	sing	1.66Å	1.61Å
N1	C5	sing	1.40Å	1.36Å
N1	HN1	sing	0.97Å	1.02Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C5	C2	sing	1.39Å	1.40Å	Aromatic
C4	C1	sing	1.38Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C1	C3	doub	1.38Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C6	doub	1.38Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C6	C3	sing	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.51Å	1.52Å
C3	H3	sing	1.08Å	1.10Å
C7	N2	sing	1.46Å	1.46Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
N2	C8	sing	1.35Å	1.34Å
N2	HN2	sing	0.97Å	1.02Å
C8	O1	doub	1.21Å	1.23Å
C8	C9	sing	1.51Å	1.52Å
C9	C10	sing	1.53Å	1.55Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.11Å
C10	C11	sing	1.51Å	1.52Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.11Å
C11	C14	sing	1.38Å	1.39Å	Aromatic
C11	C13	doub	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.39Å	1.40Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	N3	sing	1.40Å	1.36Å
C15	C12	sing	1.39Å	1.40Å	Aromatic
N3	S2	sing	1.66Å	1.60Å
N3	HN3	sing	0.97Å	1.02Å
S2	O4	sing	1.52Å	1.49Å
S2	O3	doub	1.42Å	1.47Å
S2	O2	doub	1.42Å	1.47Å
O4	HO4	sing	0.97Å	0.95Å
C12	C16	doub	1.38Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C16	C13	sing	1.38Å	1.40Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C13	H13	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	O7	HO7	113.1°	106.8°
O7	S1	O5	113.0°	105.8°
O7	S1	O6	105.7°	105.7°
O7	S1	N1	113.2°	107.4°
O5	S1	O6	102.6°	125.4°
O5	S1	N1	108.8°	105.8°
O6	S1	N1	113.0°	105.8°
S1	N1	C5	124.9°	120.0°
S1	N1	HN1	106.8°	120.0°
C5	N1	HN1	106.7°	120.0°
N1	C5	C4	115.9°	120.1°
N1	C5	C2	122.1°	120.1°
C4	C5	C2	122.0°	119.8°
C5	C4	C1	121.1°	119.9°
C5	C4	H4	119.5°	120.0°
C5	C2	C6	118.8°	119.9°
C5	C2	H2	120.6°	120.0°
C1	C4	H4	119.4°	120.1°
C4	C1	C3	115.1°	120.1°
C4	C1	H1	122.0°	120.0°
C3	C1	H1	122.9°	120.0°
C1	C3	C6	126.1°	120.2°
C1	C3	H3	117.3°	119.9°
C6	C2	H2	120.6°	120.1°
C2	C6	C3	116.7°	120.1°
C2	C6	C7	120.2°	119.9°
C3	C6	C7	123.1°	120.0°
C6	C3	H3	116.5°	119.9°
C6	C7	N2	112.7°	109.5°
C6	C7	H71	111.0°	109.5°
C6	C7	H72	111.0°	109.5°
N2	C7	H71	111.0°	109.5°
N2	C7	H72	111.1°	109.5°
C7	N2	C8	123.5°	120.0°
C7	N2	HN2	123.0°	120.0°
H71	C7	H72	99.3°	109.5°
C8	N2	HN2	113.5°	120.0°
N2	C8	O1	122.0°	120.0°
N2	C8	C9	117.1°	120.0°
O1	C8	C9	120.9°	120.0°
C8	C9	C10	107.5°	109.5°
C8	C9	H91	112.9°	109.5°
C8	C9	H92	112.9°	109.4°
C10	C9	H91	112.9°	109.5°
C10	C9	H92	112.9°	109.5°
C9	C10	C11	103.8°	109.5°
C9	C10	H101	114.4°	109.5°
C9	C10	H102	114.4°	109.5°
H91	C9	H92	97.5°	109.5°
C11	C10	H101	114.4°	109.5°
C11	C10	H102	114.4°	109.4°
C10	C11	C14	120.5°	119.9°
C10	C11	C13	121.5°	120.0°
H101	C10	H102	96.1°	109.5°
C14	C11	C13	118.0°	120.1°
C11	C14	C15	122.2°	119.9°
C11	C14	H14	118.8°	120.0°
C11	C13	C16	121.4°	120.1°
C11	C13	H13	119.1°	119.9°
C15	C14	H14	119.0°	120.0°
C14	C15	N3	120.3°	120.1°
C14	C15	C12	118.1°	119.8°
N3	C15	C12	121.5°	120.1°
C15	N3	S2	126.0°	120.0°
C15	N3	HN3	106.4°	120.0°
C15	C12	C16	121.3°	119.9°
C15	C12	H12	119.7°	120.0°
S2	N3	HN3	106.4°	120.0°
N3	S2	O4	101.3°	107.3°
N3	S2	O3	100.1°	105.8°
N3	S2	O2	106.1°	105.8°
O4	S2	O3	112.5°	105.7°
O4	S2	O2	113.5°	105.8°
S2	O4	HO4	101.3°	106.8°
O3	S2	O2	120.2°	125.4°
C16	C12	H12	119.1°	120.1°
C12	C16	C13	119.0°	120.1°
C12	C16	H16	120.2°	120.0°
C13	C16	H16	120.8°	119.9°
C16	C13	H13	119.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	S1	O5	O6	113.4°	123.1°
O7	S1	O5	N1	126.7°	113.7°
O7	S1	O6	N1	124.4°	113.7°
O7	S1	N1	C5	57.0°	65.0°
O7	S1	N1	HN1	177.7°	114.9°
HO7	O7	S1	O5	180.0°	67.4°
HO7	O7	S1	O6	68.4°	67.4°
HO7	O7	S1	N1	55.8°	180.0°
O5	S1	O6	N1	116.9°	123.2°
O5	S1	N1	C5	176.4°	177.6°
O5	S1	N1	HN1	51.2°	2.3°
O6	S1	N1	C5	63.1°	47.6°
O6	S1	N1	HN1	62.1°	132.5°
S1	N1	C5	HN1	125.3°	179.9°
S1	N1	C5	C4	154.4°	45.0°
S1	N1	C5	C2	27.4°	134.7°
N1	C5	C4	C2	178.2°	179.8°
N1	C5	C4	C1	179.8°	180.0°
N1	C5	C4	H4	0.2°	0.0°
N1	C5	C2	C6	178.9°	179.7°
N1	C5	C2	H2	1.2°	0.3°
HN1	N1	C5	C4	29.2°	135.1°
HN1	N1	C5	C2	152.7°	45.2°
C5	C4	C1	H4	180.0°	180.0°
C5	C4	C1	C3	1.7°	0.0°
C5	C4	C1	H1	178.3°	180.0°
C4	C5	C2	C6	0.8°	0.6°
C4	C5	C2	H2	179.3°	180.0°
C2	C5	C4	C1	1.6°	0.2°
C2	C5	C4	H4	178.4°	179.7°
C5	C2	C6	H2	180.0°	179.4°
C5	C2	C6	C3	0.2°	0.6°
C5	C2	C6	C7	179.8°	179.7°
C4	C1	C3	H1	180.0°	179.9°
C4	C1	C3	C6	1.1°	0.0°
C4	C1	C3	H3	178.9°	180.0°
H4	C4	C1	C3	178.3°	180.0°
H4	C4	C1	H1	1.7°	0.1°
C1	C3	C6	C2	0.4°	0.3°
C1	C3	C6	H3	180.0°	180.0°
C1	C3	C6	C7	180.0°	180.0°
H1	C1	C3	C6	178.8°	179.9°
H1	C1	C3	H3	1.2°	0.1°
C2	C6	C3	C7	179.6°	179.7°
C2	C6	C3	H3	179.6°	179.7°
C2	C6	C7	N2	119.3°	90.3°
C2	C6	C7	H71	115.4°	149.7°
C2	C6	C7	H72	6.0°	29.7°
H2	C2	C6	C3	179.8°	180.0°
H2	C2	C6	C7	0.2°	0.3°
C3	C6	C7	N2	61.1°	90.0°
C3	C6	C7	H71	64.2°	30.0°
C3	C6	C7	H72	173.6°	149.9°
C7	C6	C3	H3	0.0°	0.0°
C6	C7	N2	H71	125.3°	120.0°
C6	C7	N2	H72	125.3°	120.0°
C6	C7	H71	H72	116.9°	120.0°
C6	C7	N2	C8	102.9°	180.0°
C6	C7	N2	HN2	77.2°	0.0°
N2	C7	H71	H72	116.9°	120.0°
C7	N2	C8	HN2	180.0°	180.0°
C7	N2	C8	O1	0.1°	0.0°
C7	N2	C8	C9	178.0°	180.0°
H71	C7	N2	C8	22.4°	60.0°
H71	C7	N2	HN2	157.6°	120.0°
H72	C7	N2	C8	131.9°	60.0°
H72	C7	N2	HN2	48.1°	120.0°
N2	C8	O1	C9	178.1°	180.0°
N2	C8	C9	C10	105.7°	180.0°
N2	C8	C9	H91	129.1°	59.9°
N2	C8	C9	H92	19.6°	60.0°
HN2	N2	C8	O1	179.9°	180.0°
HN2	N2	C8	C9	2.0°	0.0°
O1	C8	C9	C10	72.5°	0.0°
O1	C8	C9	H91	52.8°	120.0°
O1	C8	C9	H92	162.3°	120.0°
C8	C9	C10	H91	125.3°	120.0°
C8	C9	C10	H92	125.3°	119.9°
C8	C9	H91	H92	118.9°	119.9°
C8	C9	C10	C11	176.3°	180.0°
C8	C9	C10	H101	58.4°	60.0°
C8	C9	C10	H102	51.1°	60.1°
C10	C9	H91	H92	118.9°	120.0°
C9	C10	C11	H101	125.3°	120.1°
C9	C10	C11	H102	125.2°	119.9°
C9	C10	H101	H102	120.3°	120.0°
C9	C10	C11	C14	91.2°	89.8°
C9	C10	C11	C13	85.5°	90.0°
H91	C9	C10	C11	51.1°	60.0°
H91	C9	C10	H101	176.3°	NaN°
H91	C9	C10	H102	74.2°	59.9°
H92	C9	C10	C11	58.4°	60.1°
H92	C9	C10	H101	66.9°	60.0°
H92	C9	C10	H102	176.3°	180.0°
C11	C10	H101	H102	120.3°	120.0°
C10	C11	C14	C13	176.8°	179.8°
C10	C11	C14	C15	178.2°	179.7°
C10	C11	C14	H14	1.8°	0.2°
C10	C11	C13	C16	178.1°	180.0°
C10	C11	C13	H13	1.9°	0.0°
H101	C10	C11	C14	34.0°	30.3°
H101	C10	C11	C13	149.2°	149.9°
H102	C10	C11	C14	143.5°	150.3°
H102	C10	C11	C13	39.8°	29.9°
C11	C14	C15	H14	180.0°	179.5°
C11	C14	C15	N3	179.4°	179.7°
C11	C14	C15	C12	1.1°	0.6°
C14	C11	C13	C16	1.3°	0.2°
C14	C11	C13	H13	178.7°	179.7°
C13	C11	C14	C15	1.4°	0.5°
C13	C11	C14	H14	178.6°	180.0°
C11	C13	C16	C12	1.0°	0.0°
C11	C13	C16	H13	180.0°	180.0°
C11	C13	C16	H16	179.0°	180.0°
C14	C15	N3	C12	178.2°	179.7°
C14	C15	N3	S2	94.5°	135.3°
C14	C15	N3	HN3	140.3°	44.8°
C14	C15	C12	C16	0.8°	0.3°
C14	C15	C12	H12	179.2°	179.8°
H14	C14	C15	N3	0.6°	0.3°
H14	C14	C15	C12	178.8°	180.0°
C15	N3	S2	HN3	125.2°	179.9°
C15	N3	S2	O4	62.4°	65.0°
C15	N3	S2	O3	178.0°	47.5°
C15	N3	S2	O2	56.3°	177.6°
N3	C15	C12	C16	179.1°	180.0°
N3	C15	C12	H12	0.9°	0.0°
C12	C15	N3	S2	87.3°	45.0°
C12	C15	N3	HN3	37.9°	135.0°
C15	C12	C16	H12	180.0°	179.9°
C15	C12	C16	C13	0.8°	0.0°
C15	C12	C16	H16	179.2°	180.0°
N3	S2	O4	O3	106.1°	112.5°
N3	S2	O4	O2	113.2°	112.6°
N3	S2	O3	O2	115.4°	123.2°
N3	S2	O4	HO4	180.0°	180.0°
HN3	N3	S2	O4	172.4°	115.1°
HN3	N3	S2	O3	56.8°	132.4°
HN3	N3	S2	O2	68.9°	2.5°
O4	S2	O3	O2	137.7°	123.1°
O3	S2	O4	HO4	73.9°	67.4°
O2	S2	O4	HO4	66.8°	67.4°
C12	C16	C13	H16	180.0°	180.0°
C12	C16	C13	H13	179.0°	180.0°
H12	C12	C16	C13	179.2°	179.9°
H12	C12	C16	H16	0.8°	0.0°
H16	C16	C13	H13	1.0°	0.0°

Definition date:	2005-12-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2F70