ANQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.28Å
C1	C81	sing	1.47Å	1.50Å
C1	C2	sing	1.49Å	1.51Å
C81	C8	doub	1.39Å	1.44Å	Aromatic
C81	C82	sing	1.38Å	1.36Å	Aromatic
C8	C7	sing	1.40Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.06Å
C82	C21	sing	1.38Å	1.36Å	Aromatic
C82	C51	doub	1.46Å	1.39Å	Aromatic
C21	C2	sing	1.47Å	1.49Å
C21	C3	doub	1.39Å	1.30Å	Aromatic
C2	O2	doub	1.21Å	1.29Å
C3	C4	sing	1.40Å	1.23Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C51	C6	sing	1.39Å	1.40Å	Aromatic
C51	C5	sing	1.39Å	1.51Å	Aromatic
C6	C7	doub	1.40Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.06Å
C7	H7	sing	1.08Å	1.06Å
C5	C4	doub	1.40Å	1.35Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C4	H4	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C81	126.1°	126.9°
O1	C1	C2	127.5°	126.9°
C81	C1	C2	106.5°	106.2°
C1	C81	C8	134.1°	135.6°
C1	C81	C82	107.8°	106.8°
C1	C2	C21	102.9°	106.2°
C1	C2	O2	129.1°	126.9°
C8	C81	C82	118.1°	117.7°
C81	C8	C7	117.2°	120.5°
C81	C8	H8	121.4°	119.8°
C81	C82	C21	112.1°	114.0°
C81	C82	C51	126.2°	123.0°
C7	C8	H8	121.4°	119.7°
C8	C7	C6	122.1°	122.7°
C8	C7	H7	119.0°	118.6°
C21	C82	C51	121.8°	123.0°
C82	C21	C2	110.8°	106.8°
C82	C21	C3	106.2°	117.7°
C82	C51	C6	116.2°	117.5°
C82	C51	C5	118.2°	117.5°
C2	C21	C3	143.1°	135.6°
C21	C2	O2	128.0°	126.9°
C21	C3	C4	147.3°	120.5°
C21	C3	H3	111.6°	119.8°
C4	C3	H3	101.1°	119.7°
C3	C4	C5	108.7°	122.7°
C3	C4	H4	121.9°	118.6°
C6	C51	C5	125.7°	125.1°
C51	C6	C7	120.3°	118.7°
C51	C6	H6	119.8°	120.6°
C51	C5	C4	117.8°	118.7°
C51	C5	H5	126.3°	120.6°
C7	C6	H6	119.9°	120.7°
C6	C7	H7	119.0°	118.7°
C4	C5	H5	115.9°	120.7°
C5	C4	H4	129.3°	118.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C81	C2	179.3°	179.9°
O1	C1	C81	C8	0.9°	0.6°
O1	C1	C81	C82	179.2°	179.8°
O1	C1	C2	C21	179.0°	179.9°
O1	C1	C2	O2	0.5°	0.1°
C1	C81	C8	C82	179.9°	179.1°
C1	C81	C8	C7	179.9°	179.7°
C1	C81	C8	H8	0.1°	0.6°
C1	C81	C82	C21	0.1°	0.4°
C1	C81	C82	C51	179.9°	179.9°
C81	C1	C2	C21	0.2°	0.2°
C81	C1	C2	O2	179.7°	179.8°
C2	C1	C81	C8	179.8°	179.5°
C2	C1	C81	C82	0.1°	0.3°
C1	C2	C21	C82	0.3°	0.0°
C1	C2	C21	O2	179.5°	180.0°
C1	C2	C21	C3	179.6°	180.0°
C81	C8	C7	H8	180.0°	179.7°
C8	C81	C82	C21	180.0°	179.7°
C8	C81	C82	C51	0.1°	0.5°
C81	C8	C7	C6	0.0°	0.3°
C81	C8	C7	H7	179.9°	179.7°
C82	C81	C8	C7	0.2°	0.6°
C82	C81	C8	H8	179.8°	179.7°
C81	C82	C21	C51	179.9°	179.8°
C81	C82	C21	C2	0.3°	0.2°
C81	C82	C21	C3	179.7°	179.8°
C81	C82	C51	C6	0.1°	0.2°
C81	C82	C51	C5	179.5°	179.8°
C8	C7	C6	C51	0.2°	0.0°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	H6	179.9°	180.0°
H8	C8	C7	C6	179.9°	179.9°
H8	C8	C7	H7	0.1°	0.0°
C82	C21	C2	C3	179.9°	180.0°
C82	C21	C2	O2	179.8°	180.0°
C82	C21	C3	C4	0.2°	0.0°
C82	C21	C3	H3	179.8°	180.0°
C21	C82	C51	C6	179.8°	180.0°
C21	C82	C51	C5	0.3°	0.0°
C51	C82	C21	C2	179.9°	180.0°
C51	C82	C21	C3	0.2°	0.0°
C82	C51	C6	C5	179.4°	180.0°
C82	C51	C6	C7	0.2°	0.0°
C82	C51	C6	H6	179.8°	180.0°
C82	C51	C5	C4	0.1°	0.0°
C82	C51	C5	H5	179.9°	179.9°
C2	C21	C3	C4	179.7°	180.0°
C2	C21	C3	H3	0.3°	0.0°
C3	C21	C2	O2	0.1°	0.0°
C21	C3	C4	H3	180.0°	180.0°
C21	C3	C4	C5	0.3°	0.0°
C21	C3	C4	H4	179.6°	180.0°
C3	C4	C5	C51	0.1°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	H5	179.9°	179.9°
H3	C3	C4	C5	179.7°	180.0°
H3	C3	C4	H4	0.3°	0.0°
C51	C6	C7	H6	180.0°	180.0°
C51	C6	C7	H7	179.9°	180.0°
C6	C51	C5	C4	179.5°	180.0°
C6	C51	C5	H5	0.5°	0.1°
C5	C51	C6	C7	179.6°	180.0°
C5	C51	C6	H6	0.4°	0.0°
C51	C5	C4	H5	180.0°	179.9°
C51	C5	C4	H4	179.9°	180.0°
H6	C6	C7	H7	0.1°	0.0°
H5	C5	C4	H4	0.1°	0.1°

Definition date:	2003-01-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1OAX