F68

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.40Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
C12	C15	sing	1.51Å	1.53Å
C12	C13	doub	1.38Å	1.40Å	Aromatic
C13	C14	sing	1.38Å	1.40Å	Aromatic
C14	C9	doub	1.40Å	1.40Å	Aromatic
C9	C8	sing	1.48Å	1.54Å
C8	O8	doub	1.22Å	1.23Å
C8	N2	sing	1.35Å	1.35Å
N2	C7	sing	1.35Å	1.35Å
C7	O7	doub	1.22Å	1.23Å
C7	N1	sing	1.35Å	1.34Å
N1	C1	sing	1.47Å	1.49Å
C1	O5	sing	1.43Å	1.46Å
C1	C2	sing	1.53Å	1.54Å
O5	C5	sing	1.43Å	1.44Å
C5	C6	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.55Å
C6	O6	sing	1.43Å	1.43Å
C4	O4	sing	1.43Å	1.43Å
C4	C3	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.43Å
C3	C2	sing	1.53Å	1.54Å
C2	O2	sing	1.43Å	1.44Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C15	H15B	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
N2	HN2	sing	0.97Å	1.00Å
N1	HN1	sing	0.97Å	1.00Å
C1	H1	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	120.1°	119.9°
C10	C11	C12	119.9°	120.2°
C11	C10	H10	119.9°	120.1°
C10	C11	H11	120.0°	119.9°
C10	C9	C14	119.8°	119.6°
C10	C9	C8	119.9°	120.2°
C9	C10	H10	119.9°	120.0°
C11	C12	C15	119.4°	119.8°
C11	C12	C13	120.3°	120.3°
C12	C11	H11	120.1°	120.0°
C15	C12	C13	120.3°	119.9°
C12	C15	H15	109.5°	109.5°
C12	C15	H15A	109.5°	109.4°
C12	C15	H15B	109.5°	109.5°
C12	C13	C14	119.6°	120.2°
C12	C13	H13	120.2°	119.9°
C13	C14	C9	120.3°	119.9°
C14	C13	H13	120.2°	119.9°
C13	C14	H14	119.9°	120.1°
C14	C9	C8	120.3°	120.2°
C9	C14	H14	119.9°	120.0°
C9	C8	O8	120.0°	120.0°
C9	C8	N2	114.8°	120.0°
O8	C8	N2	125.2°	120.0°
C8	N2	C7	125.8°	120.0°
C8	N2	HN2	117.1°	120.0°
N2	C7	O7	122.8°	120.0°
N2	C7	N1	116.0°	120.0°
C7	N2	HN2	117.1°	120.0°
O7	C7	N1	121.2°	120.0°
C7	N1	C1	121.3°	120.0°
C7	N1	HN1	119.4°	120.0°
N1	C1	O5	111.1°	109.5°
N1	C1	C2	111.8°	109.5°
C1	N1	HN1	119.4°	120.0°
N1	C1	H1	106.3°	109.5°
O5	C1	C2	108.2°	109.4°
C1	O5	C5	112.1°	114.1°
O5	C1	H1	110.1°	109.5°
C1	C2	C3	109.3°	109.2°
C1	C2	O2	110.4°	109.5°
C2	C1	H1	109.4°	109.5°
C1	C2	H2	109.7°	109.6°
O5	C5	C6	107.8°	109.5°
O5	C5	C4	111.5°	109.4°
O5	C5	H5	110.9°	109.4°
C6	C5	C4	113.8°	109.5°
C5	C6	O6	110.5°	109.5°
C6	C5	H5	108.4°	109.5°
C5	C6	H6	109.1°	109.5°
C5	C6	H6A	108.9°	109.5°
C5	C4	O4	109.3°	109.5°
C5	C4	C3	111.3°	109.2°
C4	C5	H5	104.5°	109.5°
C5	C4	H4	108.3°	109.5°
O6	C6	H6	109.1°	109.5°
O6	C6	H6A	108.9°	109.4°
C6	O6	HO6	109.5°	114.0°
O4	C4	C3	109.3°	109.6°
O4	C4	H4	110.3°	109.5°
C4	O4	HO4	109.5°	114.0°
C4	C3	O3	109.9°	109.6°
C4	C3	C2	111.1°	109.1°
C3	C4	H4	108.3°	109.6°
C4	C3	H3	108.5°	109.5°
O3	C3	C2	110.8°	109.5°
O3	C3	H3	108.9°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C2	O2	111.7°	109.5°
C2	C3	H3	107.5°	109.6°
C3	C2	H2	108.4°	109.5°
O2	C2	H2	107.3°	109.6°
C2	O2	HO2	109.5°	114.0°
H15	C15	H15A	109.5°	109.4°
H15	C15	H15B	109.4°	109.5°
H15A	C15	H15B	109.5°	109.5°
H6	C6	H6A	110.3°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H10	180.0°	179.7°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C15	179.8°	180.0°
C10	C11	C12	C13	0.3°	0.0°
C11	C10	C9	C14	0.9°	0.0°
C11	C10	C9	C8	179.6°	180.0°
C9	C10	C11	C12	0.4°	0.0°
C10	C9	C14	C13	0.8°	0.0°
C10	C9	C14	C8	178.6°	180.0°
C10	C9	C8	O8	146.1°	0.0°
C10	C9	C8	N2	33.3°	180.0°
C9	C10	C11	H11	179.6°	180.0°
C10	C9	C14	H14	179.2°	180.0°
C11	C12	C15	C13	179.5°	180.0°
C11	C12	C13	C14	0.4°	0.0°
C12	C11	C10	H10	179.6°	179.7°
C11	C12	C15	H15	12.5°	90.0°
C11	C12	C15	H15A	107.5°	150.0°
C11	C12	C15	H15B	132.4°	30.0°
C11	C12	C13	H13	179.6°	180.0°
C15	C12	C13	C14	179.9°	180.0°
C15	C12	C11	H11	0.2°	0.0°
C12	C15	H15	H15A	120.0°	119.9°
C12	C15	H15	H15B	120.0°	120.0°
C12	C15	H15A	H15B	120.0°	120.0°
C15	C12	C13	H13	0.1°	0.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C9	0.2°	0.0°
C13	C12	C11	H11	179.7°	180.0°
C13	C12	C15	H15	168.0°	90.0°
C13	C12	C15	H15A	72.0°	30.0°
C13	C12	C15	H15B	48.0°	150.0°
C12	C13	C14	H14	179.9°	180.0°
C13	C14	C9	H14	180.0°	180.0°
C13	C14	C9	C8	179.5°	180.0°
C14	C9	C8	O8	32.6°	179.9°
C14	C9	C8	N2	148.1°	0.0°
C14	C9	C10	H10	179.0°	179.7°
C9	C14	C13	H13	179.8°	180.0°
C9	C8	O8	N2	179.3°	180.0°
C9	C8	N2	C7	179.7°	180.0°
C8	C9	C10	H10	0.4°	0.3°
C8	C9	C14	H14	0.6°	0.0°
C9	C8	N2	HN2	0.2°	0.1°
O8	C8	N2	C7	0.4°	0.0°
O8	C8	N2	HN2	179.6°	180.0°
C8	N2	C7	HN2	180.0°	179.9°
C8	N2	C7	O7	0.6°	0.0°
C8	N2	C7	N1	179.7°	180.0°
N2	C7	O7	N1	179.7°	179.9°
N2	C7	N1	C1	180.0°	180.0°
N2	C7	N1	HN1	0.0°	0.0°
O7	C7	N1	C1	0.2°	0.1°
O7	C7	N2	HN2	179.4°	179.9°
O7	C7	N1	HN1	179.8°	179.9°
C7	N1	C1	HN1	180.0°	180.0°
C7	N1	C1	O5	94.7°	95.0°
C7	N1	C1	C2	144.4°	145.0°
N1	C7	N2	HN2	0.3°	0.0°
C7	N1	C1	H1	25.1°	25.0°
N1	C1	O5	C2	123.0°	120.0°
N1	C1	O5	H1	117.5°	120.0°
N1	C1	C2	H1	117.5°	120.0°
N1	C1	O5	C5	171.4°	178.8°
N1	C1	C2	C3	176.1°	177.6°
N1	C1	C2	O2	52.8°	62.5°
N1	C1	C2	H2	65.2°	57.7°
O5	C1	C2	H1	119.9°	120.0°
C1	O5	C5	C6	174.3°	178.8°
C1	O5	C5	C4	60.2°	61.1°
O5	C1	C2	C3	61.3°	57.6°
O5	C1	C2	O2	175.5°	177.5°
O5	C1	N1	HN1	85.3°	84.9°
C1	O5	C5	H5	55.8°	58.8°
O5	C1	C2	H2	57.4°	62.3°
C2	C1	O5	C5	65.6°	61.2°
C1	C2	C3	C4	54.1°	57.0°
C1	C2	C3	O3	176.5°	176.9°
C1	C2	C3	O2	122.5°	119.9°
C1	C2	C3	H2	119.5°	119.9°
C1	C2	O2	H2	119.5°	120.2°
C2	C1	N1	HN1	35.6°	35.0°
C1	C2	C3	H3	64.6°	62.9°
C1	C2	O2	HO2	14.3°	60.0°
O5	C5	C6	C4	124.2°	119.9°
O5	C5	C6	H5	120.1°	120.0°
O5	C5	C4	H5	119.8°	119.9°
O5	C5	C6	O6	74.0°	65.0°
O5	C5	C4	O4	171.4°	177.5°
O5	C5	C4	C3	50.6°	57.6°
C5	O5	C1	H1	53.8°	58.8°
O5	C5	C6	H6	46.0°	175.0°
O5	C5	C6	H6A	166.4°	55.0°
O5	C5	C4	H4	68.4°	62.4°
C6	C5	C4	H5	118.0°	120.1°
C5	C6	O6	H6	120.0°	120.1°
C5	C6	O6	H6A	119.6°	120.0°
C6	C5	C4	O4	66.4°	62.5°
C6	C5	C4	C3	172.7°	177.6°
C5	C6	H6	H6A	119.6°	120.0°
C5	C6	O6	HO6	75.6°	180.0°
C6	C5	C4	H4	53.8°	57.6°
C4	C5	C6	O6	50.2°	175.1°
C5	C4	O4	C3	122.0°	119.7°
C5	C4	O4	H4	119.0°	120.1°
C5	C4	C3	H4	118.9°	119.9°
C5	C4	C3	O3	171.2°	176.9°
C5	C4	C3	C2	48.3°	57.0°
C4	C5	C6	H6	170.2°	55.0°
C4	C5	C6	H6A	69.4°	64.9°
C5	C4	O4	HO4	15.3°	180.0°
C5	C4	C3	H3	69.8°	63.0°
O6	C6	C5	H5	165.9°	55.0°
O6	C6	H6	H6A	119.6°	119.9°
O4	C4	C3	H4	120.2°	120.2°
O4	C4	C3	O3	67.9°	63.2°
O4	C4	C3	C2	169.1°	176.9°
O4	C4	C5	H5	51.6°	57.6°
O4	C4	C3	H3	51.0°	56.9°
C4	C3	O3	C2	123.2°	119.6°
C4	C3	O3	H3	118.7°	120.2°
C4	C3	C2	H3	118.6°	119.9°
C4	C3	C2	O2	176.6°	176.9°
C3	C4	C5	H5	69.2°	62.3°
C3	C4	O4	HO4	106.8°	60.3°
C4	C3	O3	HO3	84.6°	180.0°
C4	C3	C2	H2	65.5°	63.0°
O3	C3	C2	H3	118.9°	120.2°
O3	C3	C2	O2	61.0°	63.2°
O3	C3	C4	H4	52.3°	56.9°
O3	C3	C2	H2	57.0°	57.0°
C3	C2	O2	H2	118.6°	120.1°
C3	C2	C1	H1	58.6°	62.4°
C2	C3	C4	H4	70.7°	63.0°
C2	C3	O3	HO3	152.2°	60.4°
C3	C2	O2	HO2	136.2°	179.7°
O2	C2	C1	H1	64.6°	57.5°
O2	C2	C3	H3	58.0°	57.0°
H10	C10	C11	H11	0.4°	0.3°
H15	C15	H15A	H15B	120.0°	120.0°
H13	C13	C14	H14	0.2°	0.0°
HN1	N1	C1	H1	154.9°	155.0°
H1	C1	C2	H2	177.3°	177.7°
H5	C5	C6	H6	74.1°	65.0°
H5	C5	C6	H6A	46.3°	175.0°
H5	C5	C4	H4	171.8°	177.7°
H6	C6	O6	HO6	164.4°	60.0°
H6A	C6	O6	HO6	44.0°	59.9°
H4	C4	O4	HO4	134.2°	59.9°
H4	C4	C3	H3	171.3°	177.1°
H3	C3	O3	HO3	34.1°	59.8°
H3	C3	C2	H2	175.9°	177.1°
H2	C2	O2	HO2	105.2°	60.2°

Definition date:	2008-02-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2QLM