2C2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O10	C10	sing	1.36Å	1.24Å
O10	HO10	sing	0.98Å	0.95Å
C10	O11	doub	1.22Å	1.24Å
C10	C9	sing	1.50Å	1.51Å
C9	O8	sing	1.42Å	1.43Å
C9	O2	sing	1.43Å	1.42Å
C9	C8	sing	1.50Å	1.53Å
O8	HO8	sing	0.97Å	0.95Å
O2	C2	sing	1.37Å	1.36Å
C2	C3	doub	1.40Å	1.40Å	Aromatic
C2	C1	sing	1.40Å	1.39Å	Aromatic
C1	C7	sing	1.45Å	1.48Å
C1	C6	doub	1.40Å	1.38Å	Aromatic
C7	C8	doub	1.34Å	1.35Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.08Å
C3	C4	sing	1.39Å	1.39Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C4	C5	doub	1.39Å	1.39Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C5	C6	sing	1.40Å	1.40Å	Aromatic
C5	H5	sing	1.09Å	1.08Å
C6	H6	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O10	HO10	109.5°	111.9°
O10	C10	O11	122.2°	124.2°
O10	C10	C9	120.1°	110.7°
O11	C10	C9	117.7°	125.1°
C10	C9	O8	104.9°	105.4°
C10	C9	O2	112.2°	105.8°
C10	C9	C8	108.9°	106.2°
O8	C9	O2	109.2°	110.7°
O8	C9	C8	115.1°	110.7°
C9	O8	HO8	109.5°	106.7°
O2	C9	C8	106.7°	117.2°
C9	O2	C2	120.4°	118.7°
C9	C8	C7	117.2°	122.6°
C9	C8	H8	121.4°	118.5°
O2	C2	C3	121.4°	116.2°
O2	C2	C1	117.5°	123.6°
C3	C2	C1	121.1°	120.2°
C2	C3	C4	118.6°	120.0°
C2	C3	H3	120.7°	120.5°
C2	C1	C7	118.7°	119.8°
C2	C1	C6	119.9°	119.5°
C7	C1	C6	121.4°	120.7°
C1	C7	C8	119.1°	118.1°
C1	C7	H7	120.5°	120.2°
C1	C6	C5	118.9°	120.2°
C1	C6	H6	120.5°	120.8°
C8	C7	H7	120.5°	121.7°
C7	C8	H8	121.4°	118.9°
C4	C3	H3	120.7°	119.5°
C3	C4	C5	120.0°	120.0°
C3	C4	H4	120.0°	120.0°
C5	C4	H4	120.0°	120.0°
C4	C5	C6	121.3°	120.1°
C4	C5	H5	119.3°	120.0°
C6	C5	H5	119.3°	119.9°
C5	C6	H6	120.5°	119.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O10	C10	O11	C9	178.1°	179.8°
O10	C10	C9	O8	111.4°	177.6°
O10	C10	C9	O2	130.2°	65.1°
O10	C10	C9	C8	12.3°	60.1°
HO10	O10	C10	O11	0.0°	0.0°
HO10	O10	C10	C9	178.1°	179.8°
O11	C10	C9	O8	66.7°	2.5°
O11	C10	C9	O2	51.7°	114.7°
O11	C10	C9	C8	169.5°	120.0°
C10	C9	O8	O2	120.4°	113.9°
C10	C9	O8	C8	119.7°	114.4°
C10	C9	O2	C8	119.2°	118.1°
C10	C9	O8	HO8	164.9°	70.2°
C10	C9	O2	C2	67.0°	119.0°
C10	C9	C8	C7	77.2°	118.2°
C10	C9	C8	H8	102.8°	61.9°
O8	C9	O2	C8	124.9°	128.2°
O8	C9	O2	C2	177.2°	127.3°
O8	C9	C8	C7	165.4°	127.9°
O8	C9	C8	H8	14.6°	52.0°
O2	C9	O8	HO8	44.4°	43.7°
C9	O2	C2	C3	148.9°	179.3°
C9	O2	C2	C1	32.2°	0.9°
O2	C9	C8	C7	44.1°	0.3°
O2	C9	C8	H8	135.9°	179.8°
C8	C9	O8	HO8	75.4°	175.4°
C8	C9	O2	C2	52.2°	0.9°
C9	C8	C7	C1	18.6°	0.3°
C9	C8	C7	H8	180.0°	179.8°
C9	C8	C7	H7	161.5°	179.9°
O2	C2	C3	C1	178.8°	179.8°
O2	C2	C1	C7	0.4°	0.3°
O2	C2	C1	C6	178.9°	179.8°
O2	C2	C3	C4	178.4°	179.9°
O2	C2	C3	H3	1.5°	0.2°
C3	C2	C1	C7	179.3°	180.0°
C3	C2	C1	C6	2.3°	0.1°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	1.7°	0.1°
C2	C3	C4	H4	178.3°	180.0°
C2	C1	C7	C6	178.4°	179.9°
C2	C1	C7	C8	4.9°	0.4°
C2	C1	C7	H7	175.1°	179.9°
C1	C2	C3	C4	2.8°	0.1°
C1	C2	C3	H3	177.3°	180.0°
C2	C1	C6	C5	0.7°	0.0°
C2	C1	C6	H6	179.3°	180.0°
C1	C7	C8	H7	180.0°	179.6°
C1	C7	C8	H8	161.4°	179.5°
C7	C1	C6	C5	179.1°	179.9°
C7	C1	C6	H6	0.9°	0.1°
C6	C1	C7	C8	173.5°	179.5°
C6	C1	C7	H7	6.5°	0.0°
C1	C6	C5	C4	0.3°	0.0°
C1	C6	C5	H6	180.0°	179.9°
C1	C6	C5	H5	179.7°	180.0°
H7	C7	C8	H8	18.6°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.0°
C3	C4	C5	H5	179.8°	180.0°
H3	C3	C4	C5	178.3°	180.0°
H3	C3	C4	H4	1.7°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	179.7°	180.0°
H4	C4	C5	C6	179.8°	180.0°
H4	C4	C5	H5	0.2°	0.0°
H5	C5	C6	H6	0.3°	0.0°

Definition date:	2006-10-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB