OPG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	C6	sing	1.53Å	1.55Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	O2	sing	1.43Å	1.44Å
C2	C3	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.61Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.43Å
C4	C5	sing	1.52Å	1.59Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	O8	sing	1.42Å	1.47Å
C5	C7	sing	1.53Å	1.55Å
C5	C6	sing	1.52Å	1.54Å
O8	C6	sing	1.44Å	1.47Å
C7	O7	sing	1.43Å	1.43Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
O7	HO7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	109.1°	110.2°
C2	C1	H11	109.6°	109.4°
C2	C1	H12	109.5°	109.3°
C1	C2	O2	111.8°	109.6°
C1	C2	C3	107.6°	108.6°
C1	C2	H2	108.4°	109.6°
C6	C1	H11	109.6°	109.4°
C6	C1	H12	109.6°	109.4°
C1	C6	C5	124.8°	120.5°
C1	C6	O8	123.3°	115.8°
C1	C6	H6	112.8°	115.6°
H11	C1	H12	109.5°	109.2°
O2	C2	C3	110.7°	109.6°
O2	C2	H2	109.8°	109.6°
C2	O2	HO2	109.5°	114.0°
C3	C2	H2	108.3°	109.8°
C2	C3	O3	109.6°	109.6°
C2	C3	C4	110.3°	108.6°
C2	C3	H3	108.4°	109.6°
O3	C3	C4	110.8°	109.6°
O3	C3	H3	109.9°	109.7°
C3	O3	HO3	109.5°	114.0°
C4	C3	H3	107.7°	109.8°
C3	C4	O4	109.8°	109.2°
C3	C4	C5	114.4°	110.6°
C3	C4	H4	107.5°	109.3°
O4	C4	C5	107.7°	109.3°
O4	C4	H4	109.7°	109.2°
C4	O4	HO4	109.5°	114.1°
C5	C4	H4	107.7°	109.3°
C4	C5	O8	122.8°	120.1°
C4	C5	C7	112.0°	114.9°
C4	C5	C6	114.8°	119.9°
O8	C5	C7	122.2°	116.3°
O8	C5	C6	58.6°	58.3°
C5	O8	C6	63.2°	64.3°
C7	C5	C6	113.7°	115.8°
C5	C7	O7	111.4°	109.5°
C5	C7	H71	109.0°	109.4°
C5	C7	H72	109.0°	109.5°
C5	C6	O8	58.2°	57.4°
C5	C6	H6	113.1°	117.4°
O8	C6	H6	114.2°	117.4°
O7	C7	H71	109.0°	109.5°
O7	C7	H72	109.0°	109.5°
C7	O7	HO7	109.5°	114.0°
H71	C7	H72	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H11	119.9°	120.2°
C2	C1	C6	H12	119.9°	120.2°
C2	C1	H11	H12	120.2°	119.6°
C1	C2	O2	C3	120.0°	119.2°
C1	C2	O2	H2	120.4°	120.3°
C1	C2	C3	H2	117.1°	119.8°
C1	C2	O2	HO2	180.0°	180.0°
C1	C2	C3	O3	166.8°	166.0°
C1	C2	C3	C4	70.8°	74.3°
C1	C2	C3	H3	46.9°	45.6°
C2	C1	C6	C5	27.8°	22.0°
C2	C1	C6	O8	99.8°	87.7°
C2	C1	C6	H6	116.3°	129.2°
C6	C1	H11	H12	120.2°	119.7°
C6	C1	C2	O2	178.5°	174.3°
C6	C1	C2	C3	59.7°	54.6°
C6	C1	C2	H2	57.3°	65.3°
C1	C6	C5	C4	3.8°	6.1°
C1	C6	O8	C5	113.3°	111.1°
C1	C6	C5	C7	134.6°	150.9°
C1	C6	C5	H6	144.1°	150.6°
C1	C6	O8	H6	143.5°	142.4°
H11	C1	C2	O2	58.6°	65.5°
H11	C1	C2	C3	179.6°	174.8°
H11	C1	C2	H2	62.6°	54.9°
H11	C1	C6	C5	147.8°	142.2°
H11	C1	C6	O8	140.3°	152.0°
H11	C1	C6	H6	3.6°	9.0°
H12	C1	C2	O2	61.5°	54.1°
H12	C1	C2	C3	60.3°	65.7°
H12	C1	C2	H2	177.3°	174.4°
H12	C1	C6	C5	92.1°	98.2°
H12	C1	C6	O8	20.2°	32.4°
H12	C1	C6	H6	123.8°	110.6°
O2	C2	C3	H2	120.4°	120.4°
O2	C2	C3	O3	44.4°	46.2°
O2	C2	C3	C4	166.7°	166.0°
O2	C2	C3	H3	75.6°	74.2°
C3	C2	O2	HO2	60.0°	60.8°
C2	C3	O3	C4	122.0°	119.1°
C2	C3	O3	H3	119.0°	120.3°
C2	C3	C4	H3	118.1°	119.7°
C2	C3	O3	HO3	180.0°	60.0°
C2	C3	C4	O4	166.3°	175.3°
C2	C3	C4	C5	45.1°	55.0°
C2	C3	C4	H4	74.4°	65.3°
H2	C2	O2	HO2	59.5°	59.7°
H2	C2	C3	O3	76.1°	74.2°
H2	C2	C3	C4	46.2°	45.5°
H2	C2	C3	H3	164.0°	165.4°
O3	C3	C4	H3	120.3°	120.5°
O3	C3	C4	O4	72.1°	65.0°
O3	C3	C4	C5	166.7°	174.8°
O3	C3	C4	H4	47.2°	54.5°
C4	C3	O3	HO3	58.0°	179.1°
C3	C4	O4	C5	125.1°	121.1°
C3	C4	O4	H4	117.9°	119.4°
C3	C4	C5	H4	119.4°	120.3°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	O8	55.5°	46.2°
C3	C4	C5	C7	143.5°	167.4°
C3	C4	C5	C6	11.9°	22.3°
H3	C3	O3	HO3	61.0°	60.3°
H3	C3	C4	O4	48.2°	55.6°
H3	C3	C4	C5	73.0°	64.7°
H3	C3	C4	H4	167.5°	175.0°
O4	C4	C5	H4	118.3°	119.5°
O4	C4	C5	O8	66.8°	74.0°
O4	C4	C5	C7	94.1°	72.4°
O4	C4	C5	C6	134.2°	142.5°
C5	C4	O4	HO4	54.9°	179.0°
C4	C5	O8	C7	159.1°	146.0°
C4	C5	O8	C6	101.0°	108.6°
C4	C5	C7	C6	132.2°	146.6°
C4	C5	C7	O7	49.9°	29.4°
C4	C5	C7	H71	170.1°	90.6°
C4	C5	C7	H72	70.4°	149.5°
C4	C5	C6	H6	140.3°	144.5°
H4	C4	O4	HO4	62.1°	59.5°
H4	C4	C5	O8	174.9°	166.5°
H4	C4	C5	C7	24.2°	47.1°
H4	C4	C5	C6	107.5°	98.0°
O8	C5	C7	C6	66.7°	65.7°
O8	C5	C7	O7	149.0°	118.3°
O8	C5	C7	H71	28.8°	121.7°
O8	C5	C7	H72	90.7°	1.7°
O8	C5	C6	H6	105.0°	106.5°
C5	C7	O7	H71	120.3°	120.0°
C5	C7	O7	H72	120.3°	120.0°
C5	C7	H71	H72	119.1°	120.0°
C7	C5	C6	H6	9.4°	0.2°
C5	C7	O7	HO7	180.0°	180.0°
C6	C5	C7	O7	82.4°	176.0°
C6	C5	C7	H71	37.9°	56.0°
C6	C5	C7	H72	157.4°	64.0°
O7	C7	H71	H72	119.1°	120.0°
H71	C7	O7	HO7	59.7°	60.0°
H72	C7	O7	HO7	59.7°	59.9°

Definition date:	1999-07-08
Last modified:	2012-12-21
Release status:	REL
Processing site:	RCSB
Derived from:	6CGT