UN7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O53	S33	sing	1.42Å	1.46Å
O53	H53	sing	6.79Å	0.95Å
S33	O51	doub	1.52Å	1.48Å
S33	O52	doub	1.42Å	1.45Å
S33	N9	sing	1.66Å	1.62Å
N9	C5	sing	1.40Å	1.37Å
N9	HN9	sing	0.97Å	1.02Å
C5	C4	sing	1.39Å	1.39Å	Aromatic
C5	C2	doub	1.39Å	1.39Å	Aromatic
C4	C1	doub	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C2	C6	sing	1.39Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C6	C3	doub	1.38Å	1.37Å	Aromatic
C6	C19	sing	1.51Å	1.50Å
C3	C7	sing	1.51Å	1.52Å
C3	C1	sing	1.39Å	1.40Å	Aromatic
C7	C13	sing	1.53Å	1.55Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.12Å
C1	H1	sing	1.08Å	1.10Å
C19	N15	sing	1.47Å	1.46Å
C19	H191	sing	1.09Å	1.11Å
C19	H192	sing	1.09Å	1.12Å
N15	C13	sing	1.47Å	1.47Å
N15	C20	sing	1.35Å	1.34Å
C13	C16	sing	1.51Å	1.50Å
C13	H13	sing	1.09Å	1.11Å
C16	N27	sing	1.35Å	1.32Å
C16	O26	doub	1.21Å	1.22Å
N27	C28	sing	1.46Å	1.46Å
N27	H27	sing	0.97Å	1.02Å
C28	H281	sing	1.09Å	1.12Å
C28	H282	sing	1.09Å	1.12Å
C28	H283	sing	1.09Å	1.12Å
C20	O21	doub	1.21Å	1.24Å
C20	C22	sing	1.51Å	1.52Å
C22	C25	sing	1.53Å	1.53Å
C22	H221	sing	1.09Å	1.12Å
C22	H222	sing	1.09Å	1.12Å
C25	C35	sing	1.51Å	1.51Å
C25	H251	sing	1.09Å	1.12Å
C25	H252	sing	1.09Å	1.11Å
C35	C39	doub	1.38Å	1.40Å	Aromatic
C35	C40	sing	1.38Å	1.39Å	Aromatic
C39	C42	sing	1.40Å	1.40Å	Aromatic
C39	H39	sing	1.08Å	1.10Å
C42	C46	sing	1.48Å	1.50Å
C42	C38	doub	1.40Å	1.39Å	Aromatic
C46	O49	sing	1.35Å	1.26Å
C46	O48	doub	1.22Å	1.26Å
O49	H49	sing	0.97Å	0.95Å
C38	C41	sing	1.38Å	1.39Å	Aromatic
C38	H38	sing	1.08Å	1.10Å
C41	C40	doub	1.38Å	1.39Å	Aromatic
C41	H41	sing	1.08Å	1.10Å
C40	H40	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S33	O53	H53	112.2°	69.8°
O53	S33	O51	112.1°	105.8°
O53	S33	O52	114.5°	125.4°
O53	S33	N9	101.9°	105.8°
O51	S33	O52	112.1°	105.7°
O51	S33	N9	104.7°	107.4°
O52	S33	N9	110.6°	105.8°
S33	N9	C5	121.6°	120.0°
S33	N9	HN9	107.9°	120.0°
C5	N9	HN9	107.9°	119.9°
N9	C5	C4	124.1°	120.2°
N9	C5	C2	118.4°	120.3°
C4	C5	C2	117.4°	119.5°
C5	C4	C1	120.9°	119.8°
C5	C4	H4	119.3°	120.2°
C5	C2	C6	121.8°	120.5°
C5	C2	H2	119.1°	119.7°
C1	C4	H4	119.8°	120.1°
C4	C1	C3	120.4°	120.7°
C4	C1	H1	119.8°	119.7°
C6	C2	H2	119.1°	119.8°
C2	C6	C3	120.5°	119.9°
C2	C6	C19	120.9°	117.8°
C3	C6	C19	118.5°	122.3°
C6	C3	C7	118.3°	122.8°
C6	C3	C1	118.9°	119.6°
C6	C19	N15	116.4°	109.7°
C6	C19	H191	109.7°	109.4°
C6	C19	H192	109.7°	109.5°
C7	C3	C1	122.8°	117.6°
C3	C7	C13	112.2°	110.9°
C3	C7	H71	111.2°	109.2°
C3	C7	H72	111.2°	109.2°
C3	C1	H1	119.8°	119.6°
C13	C7	H71	111.2°	109.2°
C13	C7	H72	111.2°	109.2°
C7	C13	N15	103.8°	107.9°
C7	C13	C16	112.0°	109.7°
C7	C13	H13	112.1°	109.7°
H71	C7	H72	99.1°	109.2°
N15	C19	H191	109.7°	109.4°
N15	C19	H192	109.7°	109.4°
C19	N15	C13	122.1°	117.3°
C19	N15	C20	119.3°	121.4°
H191	C19	H192	100.5°	109.4°
C13	N15	C20	118.5°	121.3°
N15	C13	C16	111.1°	109.8°
N15	C13	H13	113.0°	109.8°
N15	C20	O21	118.8°	120.0°
N15	C20	C22	124.8°	119.9°
C16	C13	H13	105.0°	109.8°
C13	C16	N27	117.2°	119.9°
C13	C16	O26	122.2°	120.0°
N27	C16	O26	120.5°	120.0°
C16	N27	C28	125.9°	120.0°
C16	N27	H27	111.6°	120.0°
C28	N27	H27	122.6°	119.9°
N27	C28	H281	106.4°	109.5°
N27	C28	H282	125.9°	109.5°
N27	C28	H283	106.4°	109.5°
H281	C28	H282	106.4°	109.4°
H281	C28	H283	103.1°	109.5°
H282	C28	H283	106.4°	109.4°
O21	C20	C22	116.3°	120.0°
C20	C22	C25	118.4°	109.5°
C20	C22	H221	109.0°	109.5°
C20	C22	H222	109.0°	109.5°
C25	C22	H221	109.0°	109.4°
C25	C22	H222	109.0°	109.5°
C22	C25	C35	110.1°	109.5°
C22	C25	H251	112.0°	109.4°
C22	C25	H252	112.0°	109.5°
H221	C22	H222	101.1°	109.5°
C35	C25	H251	112.0°	109.5°
C35	C25	H252	112.0°	109.5°
C25	C35	C39	123.2°	119.9°
C25	C35	C40	118.0°	119.9°
H251	C25	H252	98.4°	109.5°
C39	C35	C40	118.8°	120.2°
C35	C39	C42	121.5°	119.8°
C35	C39	H39	119.2°	120.1°
C35	C40	C41	120.3°	120.3°
C35	C40	H40	119.7°	119.9°
C42	C39	H39	119.2°	120.1°
C39	C42	C46	123.9°	120.1°
C39	C42	C38	118.5°	119.7°
C46	C42	C38	117.5°	120.2°
C42	C46	O49	124.6°	120.0°
C42	C46	O48	112.7°	120.1°
C42	C38	C41	120.8°	119.9°
C42	C38	H38	119.5°	120.1°
O49	C46	O48	122.7°	120.0°
C46	O49	H49	124.6°	120.0°
C41	C38	H38	119.7°	120.1°
C38	C41	C40	120.0°	120.2°
C38	C41	H41	119.8°	119.9°
C40	C41	H41	120.1°	119.9°
C41	C40	H40	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O53	S33	O51	O52	130.4°	134.8°
O53	S33	O51	N9	109.7°	112.7°
O53	S33	O52	N9	114.4°	123.2°
O53	S33	N9	C5	177.6°	47.6°
O53	S33	N9	HN9	52.4°	132.4°
H53	O53	S33	O51	180.0°	93.2°
H53	O53	S33	O52	50.8°	143.7°
H53	O53	S33	N9	68.6°	20.6°
O51	S33	O52	N9	116.4°	113.7°
O51	S33	N9	C5	60.7°	65.0°
O51	S33	N9	HN9	64.6°	115.0°
O52	S33	N9	C5	60.2°	177.6°
O52	S33	N9	HN9	174.5°	2.4°
S33	N9	C5	HN9	125.2°	180.0°
S33	N9	C5	C4	81.6°	45.0°
S33	N9	C5	C2	96.4°	135.0°
N9	C5	C4	C2	178.0°	179.9°
N9	C5	C4	C1	177.7°	179.8°
N9	C5	C4	H4	2.3°	0.2°
N9	C5	C2	C6	179.0°	179.9°
N9	C5	C2	H2	1.0°	0.1°
HN9	N9	C5	C4	153.2°	135.0°
HN9	N9	C5	C2	28.9°	45.1°
C5	C4	C1	H4	180.0°	180.0°
C4	C5	C2	C6	0.9°	0.0°
C4	C5	C2	H2	179.1°	180.0°
C5	C4	C1	C3	1.0°	0.1°
C5	C4	C1	H1	179.0°	179.9°
C2	C5	C4	C1	0.3°	0.3°
C2	C5	C4	H4	179.7°	179.8°
C5	C2	C6	H2	180.0°	180.0°
C5	C2	C6	C3	1.4°	0.4°
C5	C2	C6	C19	179.2°	178.8°
C4	C1	C3	C6	0.5°	0.4°
C4	C1	C3	C7	178.4°	179.5°
C4	C1	C3	H1	180.0°	179.9°
H4	C4	C1	C3	179.0°	180.0°
H4	C4	C1	H1	1.0°	0.1°
C2	C6	C3	C19	179.4°	179.3°
C2	C6	C3	C7	179.6°	179.3°
C2	C6	C3	C1	0.7°	0.6°
C2	C6	C19	N15	160.7°	169.2°
C2	C6	C19	H191	74.1°	49.2°
C2	C6	C19	H192	35.4°	70.8°
H2	C2	C6	C3	178.5°	179.5°
H2	C2	C6	C19	0.8°	1.2°
C6	C3	C7	C1	178.9°	179.9°
C6	C3	C7	C13	40.8°	20.2°
C6	C3	C7	H71	166.1°	100.1°
C6	C3	C7	H72	84.4°	140.5°
C6	C3	C1	H1	179.6°	179.7°
C3	C6	C19	N15	20.0°	11.5°
C3	C6	C19	H191	105.3°	131.6°
C3	C6	C19	H192	145.2°	108.5°
C19	C6	C3	C7	1.0°	1.5°
C19	C6	C3	C1	179.9°	178.6°
C6	C19	N15	H191	125.3°	120.0°
C6	C19	N15	H192	125.2°	120.1°
C6	C19	H191	H192	115.4°	119.9°
C6	C19	N15	C13	5.1°	44.4°
C6	C19	N15	C20	175.9°	135.6°
C3	C7	C13	H71	125.2°	120.3°
C3	C7	C13	H72	125.3°	120.3°
C3	C7	H71	H72	117.1°	119.3°
C7	C3	C1	H1	1.6°	0.4°
C3	C7	C13	N15	59.2°	47.5°
C3	C7	C13	C16	60.8°	167.1°
C3	C7	C13	H13	178.5°	72.1°
C1	C3	C7	C13	138.0°	159.9°
C1	C3	C7	H71	12.8°	79.8°
C1	C3	C7	H72	96.7°	39.6°
C13	C7	H71	H72	117.1°	119.3°
C7	C13	N15	C19	42.7°	64.2°
C7	C13	N15	C16	120.6°	119.6°
C7	C13	N15	H13	121.7°	119.6°
C7	C13	N15	C20	138.3°	115.8°
C7	C13	C16	H13	121.9°	120.7°
C7	C13	C16	N27	137.2°	155.2°
C7	C13	C16	O26	39.6°	24.9°
H71	C7	C13	N15	175.6°	72.8°
H71	C7	C13	C16	64.5°	46.8°
H71	C7	C13	H13	53.3°	167.6°
H72	C7	C13	N15	66.1°	167.8°
H72	C7	C13	C16	173.9°	72.6°
H72	C7	C13	H13	56.2°	48.2°
N15	C19	H191	H192	115.5°	119.8°
C19	N15	C13	C20	179.0°	180.0°
C19	N15	C13	C16	77.9°	176.2°
C19	N15	C13	H13	164.4°	55.4°
C19	N15	C20	O21	179.7°	174.2°
C19	N15	C20	C22	2.4°	5.8°
H191	C19	N15	C13	130.4°	164.4°
H191	C19	N15	C20	50.7°	15.6°
H192	C19	N15	C13	120.1°	75.7°
H192	C19	N15	C20	58.8°	104.3°
N15	C13	C16	H13	122.5°	120.8°
N15	C13	C16	N27	21.6°	86.4°
N15	C13	C16	O26	155.2°	93.6°
C13	N15	C20	O21	1.3°	5.8°
C13	N15	C20	C22	178.6°	174.2°
C20	N15	C13	C16	101.1°	3.8°
C20	N15	C13	H13	16.6°	124.7°
N15	C20	O21	C22	177.6°	180.0°
N15	C20	C22	C25	164.3°	180.0°
N15	C20	C22	H221	70.4°	60.0°
N15	C20	C22	H222	39.1°	60.0°
C13	C16	N27	O26	176.8°	180.0°
C13	C16	N27	C28	179.2°	180.0°
C13	C16	N27	H27	0.9°	0.1°
H13	C13	C16	N27	100.9°	34.5°
H13	C13	C16	O26	82.3°	145.6°
C16	N27	C28	H27	180.0°	179.9°
C16	N27	C28	H281	54.7°	180.0°
C16	N27	C28	H282	180.0°	59.9°
C16	N27	C28	H283	54.7°	60.0°
O26	C16	N27	C28	2.4°	0.1°
O26	C16	N27	H27	177.7°	180.0°
N27	C28	H281	H282	136.4°	120.1°
N27	C28	H281	H283	111.8°	120.0°
N27	C28	H282	H283	125.3°	120.0°
H27	N27	C28	H281	125.3°	0.0°
H27	N27	C28	H282	0.1°	120.0°
H27	N27	C28	H283	125.2°	120.1°
H281	C28	H282	H283	109.5°	119.9°
O21	C20	C22	C25	18.2°	0.0°
O21	C20	C22	H221	107.0°	120.0°
O21	C20	C22	H222	143.5°	120.0°
C20	C22	C25	H221	125.2°	120.0°
C20	C22	C25	H222	125.3°	120.0°
C20	C22	H221	H222	114.7°	120.0°
C20	C22	C25	C35	169.8°	180.0°
C20	C22	C25	H251	44.5°	60.0°
C20	C22	C25	H252	64.9°	60.0°
C25	C22	H221	H222	114.7°	120.0°
C22	C25	C35	H251	125.3°	120.0°
C22	C25	C35	H252	125.3°	120.0°
C22	C25	H251	H252	117.9°	120.0°
C22	C25	C35	C39	89.5°	90.3°
C22	C25	C35	C40	88.0°	90.0°
H221	C22	C25	C35	64.9°	60.0°
H221	C22	C25	H251	169.8°	180.0°
H221	C22	C25	H252	60.3°	60.0°
H222	C22	C25	C35	44.6°	60.0°
H222	C22	C25	H251	80.7°	60.0°
H222	C22	C25	H252	169.8°	180.0°
C35	C25	H251	H252	117.9°	120.0°
C25	C35	C39	C40	177.5°	179.8°
C25	C35	C39	C42	177.5°	179.8°
C25	C35	C39	H39	2.5°	0.2°
C25	C35	C40	C41	178.5°	180.0°
C25	C35	C40	H40	1.5°	0.0°
H251	C25	C35	C39	35.7°	149.8°
H251	C25	C35	C40	146.7°	30.0°
H252	C25	C35	C39	145.2°	29.7°
H252	C25	C35	C40	37.3°	150.0°
C35	C39	C42	H39	180.0°	179.6°
C35	C39	C42	C46	179.7°	179.7°
C35	C39	C42	C38	1.1°	0.5°
C39	C35	C40	C41	0.9°	0.2°
C39	C35	C40	H40	179.2°	179.8°
C40	C35	C39	C42	0.0°	0.5°
C40	C35	C39	H39	180.0°	180.0°
C35	C40	C41	C38	0.5°	0.0°
C35	C40	C41	H40	180.0°	180.0°
C35	C40	C41	H41	179.5°	180.0°
C39	C42	C46	C38	179.1°	179.8°
C39	C42	C46	O49	105.8°	179.8°
C39	C42	C46	O48	74.3°	0.2°
C39	C42	C38	C41	1.5°	0.2°
C39	C42	C38	H38	178.5°	179.8°
H39	C39	C42	C46	0.3°	0.2°
H39	C39	C42	C38	178.8°	180.0°
C42	C46	O49	O48	179.9°	180.0°
C42	C46	O49	H49	180.0°	180.0°
C46	C42	C38	C41	179.3°	180.0°
C46	C42	C38	H38	0.7°	0.0°
C38	C42	C46	O49	75.1°	0.0°
C38	C42	C46	O48	104.9°	180.0°
C42	C38	C41	H38	180.0°	179.9°
C42	C38	C41	C40	0.7°	0.0°
C42	C38	C41	H41	179.3°	180.0°
O48	C46	O49	H49	0.1°	0.0°
C38	C41	C40	H41	180.0°	180.0°
C38	C41	C40	H40	179.5°	180.0°
H38	C38	C41	C40	179.3°	179.9°
H38	C38	C41	H41	0.7°	0.0°
H41	C41	C40	H40	0.5°	0.0°

Definition date:	2005-12-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2F71