229

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C11	sing	1.42Å	1.44Å
O4	HO4	sing	0.97Å	0.95Å
C11	C6	sing	1.53Å	1.52Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C6	C8	sing	1.54Å	1.51Å
C6	O3	sing	1.43Å	1.42Å
C6	H6	sing	1.10Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C8	C3	sing	1.53Å	1.53Å
C8	N2	sing	1.45Å	1.47Å
C8	H8	sing	1.10Å	1.10Å
C3	O2	sing	1.42Å	1.44Å
C3	H31	sing	1.10Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
N2	C10	sing	1.46Å	1.44Å
N2	HN2	sing	1.02Å	1.00Å
C10	C4	sing	1.50Å	1.49Å
C10	H101	sing	1.10Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C4	C1	sing	1.39Å	1.48Å
C4	C9	doub	1.37Å	1.38Å
C1	N4	sing	1.40Å	1.36Å
C1	C2	doub	1.37Å	1.46Å
N4	C7	doub	1.30Å	1.35Å
C7	N3	sing	1.39Å	1.37Å
C7	H7	sing	1.10Å	1.08Å
N3	C5	sing	1.40Å	1.34Å
N3	HN3	sing	1.02Å	1.00Å
C9	N1	sing	1.38Å	1.35Å
C9	H9	sing	1.08Å	1.08Å
N1	C2	sing	1.37Å	1.36Å
N1	HN1	sing	1.01Å	1.00Å
C2	C5	sing	1.43Å	1.38Å
C5	O1	doub	1.23Å	1.34Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	O4	HO4	109.5°	106.6°
O4	C11	C6	107.9°	108.8°
O4	C11	H111	110.0°	107.6°
O4	C11	H112	110.4°	108.0°
C6	C11	H111	110.0°	111.7°
C6	C11	H112	110.3°	111.0°
C11	C6	C8	111.1°	113.1°
C11	C6	O3	108.8°	109.2°
C11	C6	H6	106.3°	108.9°
H111	C11	H112	108.2°	109.6°
C8	C6	O3	100.4°	110.4°
C8	C6	H6	114.0°	109.0°
C6	C8	C3	101.9°	111.7°
C6	C8	N2	110.6°	111.7°
C6	C8	H8	114.0°	109.1°
O3	C6	H6	116.1°	105.9°
C6	O3	HO3	109.5°	106.3°
C3	C8	N2	110.7°	109.6°
C3	C8	H8	114.0°	109.2°
C8	C3	O2	111.3°	109.4°
C8	C3	H31	108.8°	111.7°
C8	C3	H32	108.4°	110.7°
N2	C8	H8	105.7°	105.4°
C8	N2	C10	115.8°	111.2°
C8	N2	HN2	107.4°	109.7°
O2	C3	H31	108.9°	108.3°
O2	C3	H32	108.5°	107.7°
C3	O2	HO2	109.5°	106.7°
H31	C3	H32	110.9°	109.0°
C10	N2	HN2	107.4°	108.9°
N2	C10	C4	105.0°	112.0°
N2	C10	H101	111.0°	107.9°
N2	C10	H102	111.9°	107.8°
C4	C10	H101	111.0°	110.6°
C4	C10	H102	112.0°	111.0°
C10	C4	C1	131.3°	126.7°
C10	C4	C9	123.0°	125.5°
H101	C10	H102	106.1°	107.3°
C1	C4	C9	105.5°	107.9°
C4	C1	N4	134.3°	128.0°
C4	C1	C2	105.5°	108.2°
C4	C9	N1	110.5°	107.6°
C4	C9	H9	124.7°	132.4°
N4	C1	C2	120.2°	123.8°
C1	N4	C7	117.8°	112.4°
C1	C2	N1	106.7°	107.2°
C1	C2	C5	118.0°	123.3°
N4	C7	N3	123.8°	127.1°
N4	C7	H7	118.1°	120.7°
N3	C7	H7	118.1°	112.3°
C7	N3	C5	120.0°	123.1°
C7	N3	HN3	120.0°	118.7°
C5	N3	HN3	120.0°	118.2°
N3	C5	C2	120.3°	110.4°
N3	C5	O1	121.2°	124.3°
N1	C9	H9	124.8°	120.0°
C9	N1	C2	111.8°	109.2°
C9	N1	HN1	124.1°	125.2°
C2	N1	HN1	124.1°	125.6°
N1	C2	C5	135.3°	129.6°
C2	C5	O1	118.4°	125.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C11	C6	H111	120.0°	118.6°
O4	C11	C6	H112	120.6°	118.8°
O4	C11	H111	H112	120.7°	117.2°
O4	C11	C6	C8	46.9°	178.6°
O4	C11	C6	O3	62.7°	55.3°
O4	C11	C6	H6	171.5°	60.0°
HO4	O4	C11	C6	42.0°	177.2°
HO4	O4	C11	H111	162.0°	56.1°
HO4	O4	C11	H112	78.6°	62.1°
C6	C11	H111	H112	120.6°	123.5°
C11	C6	C8	O3	115.0°	122.7°
C11	C6	C8	H6	120.1°	121.3°
C11	C6	O3	H6	119.9°	117.1°
C11	C6	O3	HO3	110.4°	64.1°
C11	C6	C8	C3	171.3°	58.7°
C11	C6	C8	N2	53.6°	64.5°
C11	C6	C8	H8	65.4°	179.5°
H111	C11	C6	C8	73.1°	60.0°
H111	C11	C6	O3	177.3°	63.4°
H111	C11	C6	H6	51.5°	178.6°
H112	C11	C6	C8	167.6°	62.6°
H112	C11	C6	O3	57.9°	174.0°
H112	C11	C6	H6	67.9°	58.8°
C8	C6	O3	H6	123.4°	117.9°
C8	C6	O3	HO3	132.9°	170.9°
C6	C8	C3	N2	117.7°	124.3°
C6	C8	C3	H8	123.3°	120.7°
C6	C8	N2	H8	123.9°	118.3°
C6	C8	C3	O2	172.8°	179.8°
C6	C8	C3	H31	52.9°	60.0°
C6	C8	C3	H32	67.9°	61.6°
C6	C8	N2	C10	170.8°	58.3°
C6	C8	N2	HN2	69.2°	178.7°
O3	C6	C8	C3	56.3°	64.0°
O3	C6	C8	N2	61.4°	172.8°
O3	C6	C8	H8	179.6°	56.7°
H6	C6	O3	HO3	9.5°	53.0°
H6	C6	C8	C3	68.6°	180.0°
H6	C6	C8	N2	173.7°	56.8°
H6	C6	C8	H8	54.7°	59.2°
C3	C8	N2	H8	123.9°	117.4°
C8	C3	O2	H31	120.0°	121.9°
C8	C3	O2	H32	119.2°	120.4°
C8	C3	H31	H32	119.2°	122.6°
C8	C3	O2	HO2	101.3°	147.0°
C3	C8	N2	C10	77.1°	177.4°
C3	C8	N2	HN2	42.9°	56.9°
N2	C8	C3	O2	69.5°	55.5°
N2	C8	C3	H31	170.5°	64.3°
N2	C8	C3	H32	49.7°	174.0°
C8	N2	C10	HN2	120.0°	121.0°
C8	N2	C10	C4	96.5°	179.1°
C8	N2	C10	H101	23.5°	59.0°
C8	N2	C10	H102	141.8°	56.6°
H8	C8	C3	O2	49.5°	59.5°
H8	C8	C3	H31	70.4°	179.3°
H8	C8	C3	H32	168.8°	59.1°
H8	C8	N2	C10	46.8°	60.0°
H8	C8	N2	HN2	166.9°	60.5°
O2	C3	H31	H32	119.3°	116.9°
H31	C3	O2	HO2	138.7°	91.1°
H32	C3	O2	HO2	17.9°	26.6°
N2	C10	C4	H101	120.0°	120.4°
N2	C10	C4	H102	121.7°	120.6°
N2	C10	H101	H102	121.8°	115.9°
N2	C10	C4	C1	81.7°	90.0°
N2	C10	C4	C9	91.9°	90.0°
HN2	N2	C10	C4	143.5°	60.0°
HN2	N2	C10	H101	96.5°	62.0°
HN2	N2	C10	H102	21.8°	177.6°
C4	C10	H101	H102	121.8°	121.3°
C10	C4	C1	C9	174.5°	180.0°
C10	C4	C1	N4	4.9°	0.0°
C10	C4	C1	C2	177.0°	180.0°
C10	C4	C9	N1	176.8°	180.0°
C10	C4	C9	H9	3.2°	0.1°
H101	C10	C4	C1	38.3°	149.6°
H101	C10	C4	C9	148.1°	30.4°
H102	C10	C4	C1	156.6°	30.6°
H102	C10	C4	C9	29.7°	149.4°
C4	C1	N4	C2	177.9°	180.0°
C4	C1	N4	C7	177.9°	180.0°
C1	C4	C9	N1	1.8°	0.0°
C1	C4	C9	H9	178.2°	180.0°
C4	C1	C2	N1	2.4°	0.0°
C4	C1	C2	C5	178.1°	180.0°
C9	C4	C1	N4	179.4°	180.0°
C9	C4	C1	C2	2.5°	0.0°
C4	C9	N1	H9	180.0°	179.9°
C4	C9	N1	C2	0.3°	0.0°
C4	C9	N1	HN1	179.7°	179.9°
C1	N4	C7	N3	0.4°	0.0°
C1	N4	C7	H7	179.6°	180.0°
N4	C1	C2	N1	179.2°	180.0°
N4	C1	C2	C5	0.4°	0.0°
C2	C1	N4	C7	0.0°	0.0°
C1	C2	C5	N3	0.3°	0.1°
C1	C2	N1	C9	1.4°	0.1°
C1	C2	N1	C5	179.4°	180.0°
C1	C2	N1	HN1	178.6°	179.9°
C1	C2	C5	O1	178.1°	180.0°
N4	C7	N3	H7	180.0°	180.0°
N4	C7	N3	C5	0.5°	0.1°
N4	C7	N3	HN3	179.5°	179.9°
C7	N3	C5	HN3	180.0°	179.9°
C7	N3	C5	C2	0.1°	0.1°
C7	N3	C5	O1	177.7°	180.0°
H7	C7	N3	C5	179.5°	179.9°
H7	C7	N3	HN3	0.5°	0.1°
N3	C5	C2	N1	179.1°	179.9°
N3	C5	C2	O1	177.9°	179.9°
HN3	N3	C5	C2	179.9°	180.0°
HN3	N3	C5	O1	2.3°	0.2°
C9	N1	C2	HN1	180.0°	180.0°
C9	N1	C2	C5	179.2°	179.9°
H9	C9	N1	C2	179.7°	180.0°
H9	C9	N1	HN1	0.3°	0.0°
N1	C2	C5	O1	1.2°	0.1°
HN1	N1	C2	C5	0.8°	0.1°

Definition date:	2007-03-14
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ