HAH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.51Å
C1	C2	sing	1.53Å	1.54Å
C1	C6	sing	1.50Å	1.54Å
N1	C10	sing	1.47Å	1.59Å
C2	O2	sing	1.43Å	1.41Å
C2	C3	sing	1.53Å	1.50Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.42Å
C4	C5	sing	1.50Å	1.33Å
C5	C6	doub	1.29Å	1.40Å
C10	C11	sing	1.51Å	1.49Å
C11	C12	doub	1.39Å	1.45Å	Aromatic
C11	C16	sing	1.38Å	1.38Å	Aromatic
C12	O12	sing	1.36Å	1.45Å
C12	C13	sing	1.39Å	1.40Å	Aromatic
C13	C14	doub	1.38Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C15	C16	doub	1.38Å	1.45Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
N1	HN1	sing	1.01Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
O12	HO12	sing	0.97Å	0.95Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	114.3°	109.4°
N1	C1	C6	115.7°	109.4°
C1	N1	C10	116.1°	111.0°
N1	C1	H1	101.2°	109.4°
C1	N1	HN1	107.3°	111.0°
C2	C1	C6	109.9°	110.2°
C1	C2	O2	112.1°	109.7°
C1	C2	C3	111.4°	108.4°
C2	C1	H1	108.2°	109.3°
C1	C2	H2	107.3°	109.6°
C1	C6	C5	110.4°	124.1°
C6	C1	H1	106.6°	109.2°
C1	C6	H6	124.8°	118.0°
N1	C10	C11	112.0°	109.5°
C10	N1	HN1	107.3°	111.0°
N1	C10	H10	108.6°	109.5°
N1	C10	H10A	108.1°	109.4°
O2	C2	C3	112.4°	109.7°
O2	C2	H2	106.2°	109.6°
C2	O2	HO2	109.5°	114.0°
C2	C3	O3	110.2°	109.6°
C2	C3	C4	110.2°	108.4°
C3	C2	H2	107.0°	109.8°
C2	C3	H3	108.8°	109.7°
O3	C3	C4	110.3°	109.7°
O3	C3	H3	108.7°	109.6°
C3	O3	HO3	109.5°	114.0°
C3	C4	O4	109.3°	109.3°
C3	C4	C5	108.9°	110.2°
C4	C3	H3	108.7°	109.8°
C3	C4	H4	110.5°	109.4°
O4	C4	C5	111.1°	109.4°
O4	C4	H4	108.3°	109.3°
C4	O4	HO4	109.5°	114.0°
C4	C5	C6	120.6°	124.1°
C5	C4	H4	108.8°	109.2°
C4	C5	H5	119.7°	117.9°
C6	C5	H5	119.7°	118.0°
C5	C6	H6	124.8°	117.9°
C10	C11	C12	122.1°	120.0°
C10	C11	C16	120.3°	120.1°
C11	C10	H10	108.6°	109.5°
C11	C10	H10A	108.0°	109.5°
C12	C11	C16	117.7°	120.0°
C11	C12	O12	122.8°	120.0°
C11	C12	C13	121.4°	119.8°
C11	C16	C15	120.9°	120.0°
C11	C16	H16	119.5°	120.0°
O12	C12	C13	115.8°	120.1°
C12	O12	HO12	109.5°	114.0°
C12	C13	C14	118.8°	120.0°
C12	C13	H13	120.6°	120.0°
C13	C14	C15	121.7°	120.0°
C14	C13	H13	120.6°	120.0°
C13	C14	H14	119.1°	120.0°
C14	C15	C16	119.5°	120.1°
C15	C14	H14	119.2°	120.0°
C14	C15	H15	120.2°	119.9°
C16	C15	H15	120.3°	119.9°
C15	C16	H16	119.6°	120.0°
H10	C10	H10A	111.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	C6	132.0°	120.2°
N1	C1	C2	H1	111.9°	119.7°
N1	C1	C6	H1	111.6°	119.7°
C1	N1	C10	HN1	120.0°	123.9°
N1	C1	C2	O2	51.2°	70.6°
N1	C1	C2	C3	178.1°	169.7°
N1	C1	C6	C5	178.5°	137.3°
C1	N1	C10	C11	127.8°	180.0°
N1	C1	C2	H2	65.1°	49.8°
N1	C1	C6	H6	1.5°	42.6°
C1	N1	C10	H10	7.8°	60.0°
C1	N1	C10	H10A	113.3°	60.0°
C2	C1	C6	H1	117.1°	120.1°
C2	C1	N1	C10	79.6°	155.0°
C1	C2	O2	C3	126.4°	119.0°
C1	C2	O2	H2	116.9°	120.4°
C1	C2	C3	H2	117.0°	119.7°
C1	C2	C3	O3	175.1°	172.9°
C1	C2	C3	C4	53.3°	67.4°
C2	C1	C6	C5	47.2°	17.1°
C2	C1	N1	HN1	40.4°	81.1°
C1	C2	O2	HO2	113.8°	179.9°
C1	C2	C3	H3	65.8°	52.5°
C2	C1	C6	H6	132.8°	162.8°
C6	C1	N1	C10	49.5°	84.3°
C6	C1	C2	O2	176.8°	169.1°
C6	C1	C2	C3	49.9°	49.4°
C1	C6	C5	C4	56.7°	0.4°
C1	C6	C5	H6	180.0°	179.9°
C6	C1	N1	HN1	169.6°	39.7°
C6	C1	C2	H2	67.0°	70.5°
C1	C6	C5	H5	123.3°	179.5°
N1	C10	C11	H10	120.0°	120.0°
N1	C10	C11	H10A	118.9°	120.0°
N1	C10	C11	C12	166.9°	80.0°
N1	C10	C11	C16	12.9°	100.3°
C10	N1	C1	H1	164.3°	35.3°
N1	C10	H10	H10A	119.0°	119.9°
O2	C2	C3	H2	116.2°	120.5°
O2	C2	C3	O3	58.1°	53.2°
O2	C2	C3	C4	180.0°	172.9°
O2	C2	C1	H1	60.7°	49.1°
O2	C2	C3	H3	60.9°	67.2°
C2	C3	O3	C4	121.8°	118.9°
C2	C3	O3	H3	119.1°	120.4°
C2	C3	C4	H3	119.1°	119.8°
C2	C3	C4	O4	176.5°	169.7°
C2	C3	C4	C5	55.0°	49.4°
C3	C2	C1	H1	66.2°	70.6°
C3	C2	O2	HO2	119.8°	61.0°
C2	C3	O3	HO3	60.6°	180.0°
C2	C3	C4	H4	64.4°	70.6°
O3	C3	C4	H3	119.1°	120.5°
O3	C3	C4	O4	61.7°	70.6°
O3	C3	C4	C5	176.8°	169.1°
O3	C3	C2	H2	58.1°	67.4°
O3	C3	C4	H4	57.4°	49.0°
C3	C4	O4	C5	120.1°	120.7°
C3	C4	O4	H4	120.5°	119.7°
C3	C4	C5	H4	120.5°	120.1°
C3	C4	C5	C6	59.4°	17.1°
C4	C3	C2	H2	63.8°	52.3°
C4	C3	O3	HO3	61.2°	61.0°
C3	C4	O4	HO4	46.9°	180.0°
C3	C4	C5	H5	120.6°	162.8°
O4	C4	C5	H4	119.1°	119.7°
O4	C4	C5	C6	179.8°	137.3°
O4	C4	C3	H3	57.4°	49.9°
O4	C4	C5	H5	0.2°	42.6°
C4	C5	C6	H5	180.0°	179.9°
C5	C4	C3	H3	64.1°	70.4°
C5	C4	O4	HO4	73.2°	59.3°
C4	C5	C6	H6	123.4°	179.5°
C5	C6	C1	H1	69.9°	103.0°
C6	C5	C4	H4	61.1°	103.1°
C10	C11	C12	C16	179.8°	179.7°
C10	C11	C12	O12	0.1°	0.0°
C10	C11	C12	C13	179.8°	180.0°
C10	C11	C16	C15	179.9°	179.8°
C11	C10	N1	HN1	112.2°	56.0°
C11	C10	H10	H10A	118.9°	120.0°
C10	C11	C16	H16	0.1°	0.1°
C11	C12	O12	C13	179.9°	180.0°
C11	C12	C13	C14	0.3°	0.0°
C12	C11	C16	C15	0.2°	0.5°
C12	C11	C10	H10	73.1°	40.0°
C12	C11	C10	H10A	48.0°	160.0°
C11	C12	O12	HO12	174.1°	90.1°
C11	C12	C13	H13	179.7°	179.9°
C12	C11	C16	H16	179.8°	179.8°
C16	C11	C12	O12	179.8°	179.7°
C16	C11	C12	C13	0.3°	0.3°
C11	C16	C15	C14	0.1°	0.5°
C11	C16	C15	H16	180.0°	179.7°
C16	C11	C10	H10	107.0°	139.7°
C16	C11	C10	H10A	131.9°	19.7°
C11	C16	C15	H15	179.9°	179.8°
O12	C12	C13	C14	179.8°	180.0°
O12	C12	C13	H13	0.2°	0.1°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.2°	0.0°
C13	C12	O12	HO12	5.8°	89.9°
C12	C13	C14	H14	179.8°	180.0°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	0.1°	0.3°
C13	C14	C15	H15	179.9°	179.9°
C14	C15	C16	H15	180.0°	179.7°
C15	C14	C13	H13	179.8°	179.9°
C14	C15	C16	H16	179.9°	179.8°
C16	C15	C14	H14	179.9°	179.7°
H1	C1	N1	HN1	75.7°	159.2°
H1	C1	C2	H2	177.0°	169.5°
H1	C1	C6	H6	110.1°	77.1°
HN1	N1	C10	H10	127.8°	176.1°
HN1	N1	C10	H10A	6.7°	63.9°
H2	C2	O2	HO2	3.2°	59.7°
H2	C2	C3	H3	177.2°	172.2°
H3	C3	O3	HO3	179.7°	59.6°
H3	C3	C4	H4	176.5°	169.5°
H4	C4	O4	HO4	167.4°	60.3°
H4	C4	C5	H5	118.9°	77.0°
H5	C5	C6	H6	56.7°	0.6°
H13	C13	C14	H14	0.2°	0.1°
H14	C14	C15	H15	0.1°	0.0°
H15	C15	C16	H16	0.1°	0.1°

Definition date:	2008-10-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3EMQ