NHV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6B	C6B	sing	1.42Å	1.42Å
C6B	C5B	sing	1.54Å	1.54Å
C5B	C4B	sing	1.55Å	1.55Å
C5B	N1B	sing	1.48Å	1.48Å
C4B	O4B	sing	1.43Å	1.43Å
C4B	C3B	sing	1.55Å	1.55Å
C3B	O3B	sing	1.43Å	1.43Å
C3B	C20	sing	1.54Å	1.54Å
O2B	C20	sing	1.44Å	1.44Å
N1B	C8B	sing	1.35Å	1.35Å	Aromatic
N1B	C1B	doub	1.32Å	1.32Å	Aromatic
C8B	C7B	doub	1.38Å	1.38Å	Aromatic
C7B	N2B	sing	1.36Å	1.36Å	Aromatic
C7B	C7	sing	1.49Å	1.49Å
N2B	C1B	sing	1.35Å	1.35Å	Aromatic
C1B	C20	sing	1.51Å	1.51Å
C7	N1	sing	1.46Å	1.46Å
N1	C1	sing	1.38Å	1.38Å
C1	C6	sing	1.40Å	1.40Å	Aromatic
C1	C2	doub	1.42Å	1.42Å	Aromatic
C6	C5	doub	1.42Å	1.42Å	Aromatic
C5	C4	sing	1.41Å	1.41Å	Aromatic
C4	C3	doub	1.41Å	1.41Å	Aromatic
C3	C2	sing	1.42Å	1.42Å	Aromatic
O6B	H6B	sing	0.95Å	0.95Å
C6B	H6B1	sing	1.10Å	1.10Å
C6B	H6B2	sing	1.10Å	1.10Å
C5B	H5B	sing	1.10Å	1.10Å
C4B	H4B	sing	1.10Å	1.10Å
O4B	HA	sing	0.95Å	0.95Å
C3B	H3B	sing	1.10Å	1.10Å
O3B	HB	sing	0.95Å	0.95Å
C20	H20	sing	1.10Å	1.10Å
O2B	H2B	sing	0.95Å	0.95Å
C8B	H8B	sing	1.08Å	1.08Å
N2B	HC	sing	1.00Å	1.00Å
C7	H7C1	sing	1.10Å	1.10Å
C7	H7C2	sing	1.10Å	1.10Å
N1	H1	sing	1.00Å	1.00Å
C6	H6	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6B	C6B	C5B	110.0°	110.0°
C6B	O6B	H6B	109.5°	109.5°
O6B	C6B	H6B1	109.3°	109.3°
O6B	C6B	H6B2	109.1°	109.1°
C6B	C5B	C4B	112.2°	112.2°
C6B	C5B	N1B	115.8°	115.8°
C5B	C6B	H6B1	109.3°	109.3°
C5B	C6B	H6B2	109.2°	109.2°
C6B	C5B	H5B	101.1°	101.1°
C4B	C5B	N1B	102.4°	102.4°
C5B	C4B	O4B	109.1°	109.1°
C5B	C4B	C3B	113.2°	113.2°
C4B	C5B	H5B	114.8°	114.8°
C5B	C4B	H4B	107.4°	107.4°
C5B	N1B	C8B	131.3°	131.3°
C5B	N1B	C1B	118.8°	118.8°
N1B	C5B	H5B	111.1°	111.1°
O4B	C4B	C3B	110.1°	110.1°
O4B	C4B	H4B	110.6°	110.6°
C4B	O4B	HA	109.5°	109.5°
C4B	C3B	O3B	109.8°	109.8°
C4B	C3B	C20	111.8°	111.8°
C3B	C4B	H4B	106.3°	106.3°
C4B	C3B	H3B	108.2°	108.2°
O3B	C3B	C20	111.1°	111.1°
O3B	C3B	H3B	108.9°	108.9°
C3B	O3B	HB	109.5°	109.5°
C3B	C20	O2B	118.6°	118.6°
C3B	C20	C1B	109.6°	109.6°
C20	C3B	H3B	106.9°	106.9°
C3B	C20	H20	102.3°	102.3°
O2B	C20	C1B	107.8°	107.8°
O2B	C20	H20	104.4°	104.4°
C20	O2B	H2B	109.5°	109.5°
C8B	N1B	C1B	109.5°	109.5°
N1B	C8B	C7B	105.5°	105.5°
N1B	C8B	H8B	127.2°	127.2°
N1B	C1B	N2B	110.3°	110.3°
N1B	C1B	C20	120.3°	120.3°
C8B	C7B	N2B	108.9°	108.9°
C8B	C7B	C7	124.8°	124.8°
C7B	C8B	H8B	127.2°	127.2°
N2B	C7B	C7	126.0°	126.0°
C7B	N2B	C1B	105.5°	105.5°
C7B	N2B	HC	127.2°	127.2°
C7B	C7	N1	111.4°	111.4°
C7B	C7	H7C1	108.9°	108.9°
C7B	C7	H7C2	108.4°	108.4°
N2B	C1B	C20	129.4°	129.4°
C1B	N2B	HC	127.2°	127.2°
C1B	C20	H20	114.3°	114.3°
C7	N1	C1	124.8°	124.8°
N1	C7	H7C1	108.8°	108.8°
N1	C7	H7C2	108.4°	108.4°
C7	N1	H1	104.6°	104.6°
N1	C1	C6	122.0°	122.0°
N1	C1	C2	120.0°	120.0°
C1	N1	H1	104.7°	104.7°
C6	C1	C2	118.0°	118.0°
C1	C6	C5	119.7°	119.7°
C1	C6	H6	120.2°	120.2°
C1	C2	C3	122.6°	122.6°
C1	C2	H2	118.7°	118.7°
C6	C5	C4	121.9°	121.9°
C5	C6	H6	120.1°	120.1°
C6	C5	H5	119.0°	119.0°
C5	C4	C3	118.9°	118.9°
C4	C5	H5	119.0°	119.0°
C5	C4	H4	120.5°	120.6°
C4	C3	C2	118.8°	118.8°
C3	C4	H4	120.6°	120.6°
C4	C3	H3	120.6°	120.6°
C3	C2	H2	118.7°	118.7°
C2	C3	H3	120.6°	120.6°
H6B1	C6B	H6B2	109.9°	109.9°
H7C1	C7	H7C2	111.0°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6B	C6B	C5B	H6B1	120.0°	120.0°
O6B	C6B	C5B	H6B2	119.7°	119.7°
O6B	C6B	C5B	C4B	71.1°	71.1°
O6B	C6B	C5B	N1B	45.9°	45.9°
O6B	C6B	H6B1	H6B2	119.8°	119.8°
O6B	C6B	C5B	H5B	166.1°	166.1°
C6B	C5B	C4B	N1B	124.8°	124.8°
C6B	C5B	C4B	H5B	114.7°	114.7°
C6B	C5B	N1B	H5B	114.6°	114.6°
C6B	C5B	C4B	O4B	49.3°	49.3°
C6B	C5B	C4B	C3B	172.4°	172.4°
C6B	C5B	N1B	C8B	1.6°	1.6°
C6B	C5B	N1B	C1B	173.4°	173.4°
C5B	C6B	O6B	H6B	123.8°	123.8°
C5B	C6B	H6B1	H6B2	119.8°	119.8°
C6B	C5B	C4B	H4B	70.6°	70.6°
C4B	C5B	N1B	H5B	123.1°	123.0°
C5B	C4B	O4B	C3B	124.8°	124.8°
C5B	C4B	O4B	H4B	118.0°	118.0°
C5B	C4B	C3B	H4B	117.7°	117.7°
C5B	C4B	C3B	O3B	146.8°	146.8°
C5B	C4B	C3B	C20	23.1°	23.1°
C4B	C5B	N1B	C8B	120.8°	120.8°
C4B	C5B	N1B	C1B	51.0°	51.0°
C4B	C5B	C6B	H6B1	48.9°	48.9°
C4B	C5B	C6B	H6B2	169.1°	169.1°
C5B	C4B	O4B	HA	121.4°	121.4°
C5B	C4B	C3B	H3B	94.4°	94.4°
N1B	C5B	C4B	O4B	174.2°	174.2°
N1B	C5B	C4B	C3B	62.8°	62.8°
C5B	N1B	C8B	C1B	172.4°	172.4°
C5B	N1B	C8B	C7B	171.2°	171.2°
C5B	N1B	C1B	N2B	175.5°	175.5°
C5B	N1B	C1B	C20	2.5°	2.5°
N1B	C5B	C6B	H6B1	165.9°	165.9°
N1B	C5B	C6B	H6B2	73.9°	73.9°
N1B	C5B	C4B	H4B	54.2°	54.2°
C5B	N1B	C8B	H8B	8.8°	8.8°
O4B	C4B	C3B	H4B	119.9°	119.9°
O4B	C4B	C3B	O3B	90.7°	90.7°
O4B	C4B	C3B	C20	145.5°	145.5°
O4B	C4B	C5B	H5B	65.3°	65.3°
O4B	C4B	C3B	H3B	28.1°	28.1°
C4B	C3B	O3B	C20	124.2°	124.2°
C4B	C3B	O3B	H3B	118.4°	118.4°
C4B	C3B	C20	H3B	118.2°	118.2°
C4B	C3B	C20	O2B	153.4°	153.4°
C4B	C3B	C20	C1B	29.1°	29.1°
C3B	C4B	C5B	H5B	57.7°	57.7°
C3B	C4B	O4B	HA	3.4°	3.4°
C4B	C3B	O3B	HB	56.2°	56.2°
C4B	C3B	C20	H20	92.5°	92.5°
O3B	C3B	C20	H3B	118.7°	118.7°
O3B	C3B	C20	O2B	30.3°	30.3°
O3B	C3B	C20	C1B	93.9°	93.9°
O3B	C3B	C4B	H4B	29.2°	29.2°
O3B	C3B	C20	H20	144.4°	144.4°
C3B	C20	O2B	C1B	125.1°	125.1°
C3B	C20	O2B	H20	113.0°	113.0°
C3B	C20	C1B	N1B	46.4°	46.4°
C3B	C20	C1B	N2B	131.2°	131.2°
C3B	C20	C1B	H20	114.2°	114.2°
C20	C3B	C4B	H4B	94.6°	94.6°
C20	C3B	O3B	HB	68.0°	68.0°
C3B	C20	O2B	H2B	140.9°	140.9°
O2B	C20	C1B	N1B	176.7°	176.7°
O2B	C20	C1B	N2B	0.8°	0.8°
O2B	C20	C1B	H20	115.5°	115.5°
O2B	C20	C3B	H3B	88.4°	88.4°
N1B	C8B	C7B	H8B	180.0°	180.0°
N1B	C8B	C7B	N2B	3.9°	3.9°
N1B	C8B	C7B	C7	178.4°	178.4°
C8B	N1B	C1B	N2B	2.0°	2.0°
C8B	N1B	C1B	C20	176.0°	176.0°
C8B	N1B	C5B	H5B	116.1°	116.2°
C1B	N1B	C8B	C7B	1.2°	1.2°
N1B	C1B	N2B	C7B	4.4°	4.4°
N1B	C1B	N2B	C20	177.7°	177.7°
C1B	N1B	C5B	H5B	72.0°	72.0°
N1B	C1B	C20	H20	67.8°	67.8°
C1B	N1B	C8B	H8B	178.8°	178.8°
N1B	C1B	N2B	HC	175.6°	175.6°
C8B	C7B	N2B	C7	174.3°	174.3°
C8B	C7B	N2B	C1B	5.1°	5.1°
C8B	C7B	C7	N1	105.8°	105.8°
C8B	C7B	N2B	HC	174.9°	174.9°
C8B	C7B	C7	H7C1	134.2°	134.2°
C8B	C7B	C7	H7C2	13.4°	13.4°
C7B	N2B	C1B	HC	180.0°	180.0°
C7B	N2B	C1B	C20	173.3°	173.3°
N2B	C7B	C7	N1	80.7°	80.7°
N2B	C7B	C8B	H8B	176.1°	176.1°
N2B	C7B	C7	H7C1	39.3°	39.3°
N2B	C7B	C7	H7C2	160.1°	160.1°
C7	C7B	N2B	C1B	179.4°	179.4°
C7B	C7	N1	H7C1	120.0°	120.0°
C7B	C7	N1	H7C2	119.2°	119.2°
C7B	C7	N1	C1	75.1°	75.1°
C7	C7B	C8B	H8B	1.7°	1.7°
C7	C7B	N2B	HC	0.6°	0.6°
C7B	C7	H7C1	H7C2	119.3°	119.3°
C7B	C7	N1	H1	44.9°	44.9°
N2B	C1B	C20	H20	114.7°	114.7°
C1B	C20	C3B	H3B	147.4°	147.4°
C1B	C20	O2B	H2B	15.8°	15.8°
C20	C1B	N2B	HC	6.7°	6.7°
C7	N1	C1	H1	120.0°	120.0°
C7	N1	C1	C6	15.5°	15.5°
C7	N1	C1	C2	165.0°	165.0°
N1	C7	H7C1	H7C2	119.2°	119.2°
N1	C1	C6	C2	179.5°	179.5°
N1	C1	C6	C5	180.0°	180.0°
N1	C1	C2	C3	179.7°	179.7°
C1	N1	C7	H7C1	164.8°	164.8°
C1	N1	C7	H7C2	44.1°	44.1°
N1	C1	C6	H6	0.0°	0.0°
N1	C1	C2	H2	0.2°	0.2°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	C4	0.1°	0.1°
C6	C1	C2	C3	0.7°	0.7°
C6	C1	N1	H1	135.4°	135.4°
C6	C1	C2	H2	179.3°	179.3°
C1	C6	C5	H5	179.9°	179.9°
C2	C1	C6	C5	0.5°	0.5°
C1	C2	C3	C4	0.4°	0.4°
C1	C2	C3	H2	180.0°	180.0°
C2	C1	N1	H1	45.0°	45.0°
C2	C1	C6	H6	179.5°	179.5°
C1	C2	C3	H3	179.6°	179.6°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	0.4°	0.4°
C6	C5	C4	H4	179.6°	179.5°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C2	0.2°	0.2°
C4	C5	C6	H6	179.9°	179.9°
C5	C4	C3	H3	179.8°	179.8°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	H2	179.6°	179.6°
C3	C4	C5	H5	179.6°	179.6°
C2	C3	C4	H4	179.8°	179.8°
H6B	O6B	C6B	H6B1	116.2°	116.2°
H6B	O6B	C6B	H6B2	4.0°	4.0°
H6B1	C6B	C5B	H5B	73.9°	73.9°
H6B2	C6B	C5B	H5B	46.3°	46.3°
H5B	C5B	C4B	H4B	174.7°	174.7°
H4B	C4B	O4B	HA	120.7°	120.7°
H4B	C4B	C3B	H3B	148.0°	148.0°
H3B	C3B	O3B	HB	174.6°	174.6°
H3B	C3B	C20	H20	25.7°	25.7°
H20	C20	O2B	H2B	106.1°	106.1°
H7C1	C7	N1	H1	75.2°	75.2°
H7C2	C7	N1	H1	164.1°	164.1°
H6	C6	C5	H5	0.1°	0.1°
H2	C2	C3	H3	0.4°	0.4°
H5	C5	C4	H4	0.4°	0.4°
H4	C4	C3	H3	0.2°	0.2°

Definition date:	2008-02-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2VOT