H53

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C5	sing	1.43Å	1.45Å
O5	C1	sing	1.43Å	1.46Å
C5	C4	sing	1.53Å	1.56Å
C5	C6	sing	1.53Å	1.56Å
C5	H5	sing	1.09Å	1.10Å
C4	C3	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.44Å
C4	H4	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.56Å
C3	O3	sing	1.43Å	1.44Å
C3	H3	sing	1.09Å	1.10Å
C2	C1	sing	1.53Å	1.58Å
C2	O2	sing	1.43Å	1.44Å
C2	H2	sing	1.09Å	1.10Å
C1	C7	sing	1.51Å	1.54Å
C1	H1	sing	1.09Å	1.10Å
C7	C12	sing	1.39Å	1.43Å	Aromatic
C7	C8	doub	1.38Å	1.42Å	Aromatic
C12	O12	sing	1.36Å	1.40Å
C12	C11	doub	1.39Å	1.43Å	Aromatic
O12	HO12	sing	0.97Å	0.95Å
C11	C10	sing	1.38Å	1.42Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C10	C9	doub	1.39Å	1.43Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C9	O9	sing	1.36Å	1.40Å
C9	C8	sing	1.39Å	1.42Å	Aromatic
O9	HO9	sing	0.97Å	0.95Å
C8	H8	sing	1.08Å	1.08Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
C6	O6	sing	1.43Å	1.44Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	O5	C1	112.4°	107.6°
O5	C5	C4	111.3°	109.7°
O5	C5	C6	108.1°	109.4°
O5	C5	H5	110.2°	109.4°
O5	C1	C2	110.9°	109.8°
O5	C1	C7	106.3°	109.4°
O5	C1	H1	111.9°	109.4°
C4	C5	C6	112.4°	109.4°
C4	C5	H5	105.7°	109.4°
C5	C4	C3	110.0°	109.0°
C5	C4	O4	109.4°	109.5°
C5	C4	H4	109.3°	109.6°
C6	C5	H5	109.1°	109.4°
C5	C6	O6	109.9°	109.5°
C5	C6	H61	109.3°	109.5°
C5	C6	H62	109.3°	109.5°
C3	C4	O4	109.9°	109.5°
C3	C4	H4	108.9°	109.6°
C4	C3	C2	107.6°	108.6°
C4	C3	O3	109.4°	109.7°
C4	C3	H3	111.2°	109.6°
O4	C4	H4	109.4°	109.5°
C4	O4	HO4	109.5°	106.7°
C2	C3	O3	110.8°	109.6°
C2	C3	H3	109.8°	109.6°
C3	C2	C1	107.4°	109.0°
C3	C2	O2	108.0°	109.6°
C3	C2	H2	112.6°	109.6°
O3	C3	H3	108.0°	109.6°
C3	O3	HO3	109.5°	106.8°
C1	C2	O2	111.7°	109.5°
C1	C2	H2	108.9°	109.5°
C2	C1	C7	113.1°	109.4°
C2	C1	H1	105.0°	109.5°
O2	C2	H2	108.3°	109.6°
C2	O2	HO2	109.5°	106.8°
C7	C1	H1	109.7°	109.4°
C1	C7	C12	118.5°	119.9°
C1	C7	C8	121.7°	120.0°
C12	C7	C8	119.8°	120.0°
C7	C12	O12	118.7°	120.0°
C7	C12	C11	120.0°	119.9°
C7	C8	C9	120.5°	120.0°
C7	C8	H8	119.8°	120.0°
O12	C12	C11	121.3°	120.0°
C12	O12	HO12	109.5°	106.8°
C12	C11	C10	119.7°	120.0°
C12	C11	H11	120.2°	119.9°
C10	C11	H11	120.1°	120.0°
C11	C10	C9	120.6°	120.0°
C11	C10	H10	119.7°	120.0°
C9	C10	H10	119.7°	120.0°
C10	C9	O9	119.5°	120.0°
C10	C9	C8	119.4°	120.0°
O9	C9	C8	121.0°	120.0°
C9	O9	HO9	109.5°	106.8°
C9	C8	H8	119.7°	120.0°
O6	C6	H61	109.2°	109.5°
O6	C6	H62	109.3°	109.5°
C6	O6	HO6	109.5°	106.8°
H61	C6	H62	109.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C5	C4	C6	121.4°	120.1°
O5	C5	C4	H5	119.7°	120.0°
O5	C5	C6	H5	119.9°	119.9°
O5	C5	C4	C3	57.1°	61.4°
O5	C5	C4	O4	177.9°	178.8°
O5	C5	C4	H4	62.3°	58.6°
C5	O5	C1	C2	59.6°	67.6°
C5	O5	C1	C7	177.1°	172.4°
C5	O5	C1	H1	57.3°	52.6°
O5	C5	C6	O6	78.5°	64.9°
O5	C5	C6	H61	161.7°	55.1°
O5	C5	C6	H62	41.5°	175.2°
C1	O5	C5	C4	57.1°	67.6°
C1	O5	C5	C6	178.9°	172.3°
C1	O5	C5	H5	59.8°	52.5°
O5	C1	C2	C3	60.4°	61.3°
O5	C1	C2	C7	119.3°	120.0°
O5	C1	C2	H1	121.1°	120.1°
O5	C1	C2	O2	178.7°	178.8°
O5	C1	C2	H2	61.7°	58.6°
O5	C1	C7	H1	121.2°	119.8°
O5	C1	C7	C12	101.8°	155.3°
O5	C1	C7	C8	77.6°	25.0°
C4	C5	C6	H5	116.9°	119.9°
C5	C4	C3	O4	120.5°	119.8°
C5	C4	C3	H4	119.7°	120.0°
C5	C4	O4	H4	119.7°	120.2°
C5	C4	C3	C2	58.8°	53.9°
C5	C4	C3	O3	179.2°	173.6°
C5	C4	C3	H3	61.5°	65.9°
C5	C4	O4	HO4	17.0°	179.5°
C4	C5	C6	O6	44.7°	174.9°
C4	C5	C6	H61	75.1°	65.1°
C4	C5	C6	H62	164.7°	54.9°
C6	C5	C4	C3	178.5°	178.6°
C6	C5	C4	O4	60.7°	58.7°
C6	C5	C4	H4	59.1°	61.5°
C5	C6	O6	H61	119.8°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C5	C6	H61	H62	119.9°	120.0°
C5	C6	O6	HO6	76.5°	180.0°
H5	C5	C4	C3	62.6°	58.7°
H5	C5	C4	O4	58.2°	61.2°
H5	C5	C4	H4	178.0°	178.7°
H5	C5	C6	O6	161.6°	55.0°
H5	C5	C6	H61	41.8°	175.0°
H5	C5	C6	H62	78.4°	65.0°
C3	C4	O4	H4	119.5°	120.2°
C4	C3	C2	O3	119.6°	119.9°
C4	C3	C2	H3	121.2°	119.8°
C4	C3	O3	H3	121.2°	120.5°
C4	C3	C2	C1	59.8°	53.8°
C4	C3	C2	O2	179.6°	173.7°
C4	C3	C2	H2	60.1°	66.1°
C4	C3	O3	HO3	89.1°	60.8°
C3	C4	O4	HO4	103.8°	60.0°
O4	C4	C3	C2	179.3°	173.7°
O4	C4	C3	O3	60.3°	66.6°
O4	C4	C3	H3	59.0°	53.9°
H4	C4	C3	C2	60.9°	66.1°
H4	C4	C3	O3	59.5°	53.6°
H4	C4	C3	H3	178.8°	174.1°
H4	C4	O4	HO4	136.7°	60.2°
C2	C3	O3	H3	120.3°	120.4°
C3	C2	C1	O2	118.3°	119.9°
C3	C2	C1	H2	122.2°	119.9°
C3	C2	O2	H2	122.2°	120.3°
C3	C2	C1	C7	179.8°	178.7°
C3	C2	C1	H1	60.6°	58.8°
C3	C2	O2	HO2	135.1°	60.4°
C2	C3	O3	HO3	152.4°	180.0°
O3	C3	C2	C1	179.4°	173.7°
O3	C3	C2	O2	60.0°	66.5°
O3	C3	C2	H2	59.5°	53.8°
H3	C3	C2	C1	61.4°	66.0°
H3	C3	C2	O2	59.3°	53.9°
H3	C3	C2	H2	178.8°	174.2°
H3	C3	O3	HO3	32.1°	59.7°
C1	C2	O2	H2	119.9°	120.1°
C2	C1	C7	H1	116.8°	119.9°
C2	C1	C7	C12	136.2°	84.4°
C2	C1	C7	C8	44.4°	95.3°
C1	C2	O2	HO2	17.2°	180.0°
O2	C2	C1	C7	61.9°	58.7°
O2	C2	C1	H1	57.7°	61.1°
H2	C2	C1	C7	57.6°	61.4°
H2	C2	C1	H1	177.2°	178.7°
H2	C2	O2	HO2	102.7°	59.9°
C1	C7	C12	C8	179.4°	179.7°
C1	C7	C12	O12	0.4°	0.3°
C1	C7	C12	C11	179.4°	179.8°
C1	C7	C8	C9	179.3°	180.0°
C1	C7	C8	H8	0.7°	0.1°
H1	C1	C7	C12	19.4°	35.5°
H1	C1	C7	C8	161.2°	144.9°
C7	C12	O12	C11	179.8°	179.5°
C7	C12	O12	HO12	148.6°	90.5°
C7	C12	C11	C10	0.0°	0.6°
C7	C12	C11	H11	180.0°	179.7°
C12	C7	C8	C9	0.1°	0.3°
C12	C7	C8	H8	180.0°	179.8°
C8	C7	C12	O12	179.8°	180.0°
C8	C7	C12	C11	0.0°	0.6°
C7	C8	C9	C10	0.0°	0.0°
C7	C8	C9	O9	179.9°	180.0°
C7	C8	C9	H8	180.0°	179.9°
O12	C12	C11	C10	179.8°	180.0°
O12	C12	C11	H11	0.2°	0.3°
C11	C12	O12	HO12	31.2°	90.0°
C12	C11	C10	H11	180.0°	179.7°
C12	C11	C10	C9	0.0°	0.3°
C12	C11	C10	H10	180.0°	179.7°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	O9	179.9°	180.0°
C11	C10	C9	C8	0.0°	0.0°
H11	C11	C10	C9	179.9°	180.0°
H11	C11	C10	H10	0.0°	0.0°
C10	C9	O9	C8	179.9°	180.0°
C10	C9	O9	HO9	148.9°	90.0°
C10	C9	C8	H8	180.0°	179.9°
H10	C10	C9	O9	0.1°	0.0°
H10	C10	C9	C8	180.0°	179.9°
O9	C9	C8	H8	0.1°	0.1°
C8	C9	O9	HO9	31.2°	90.0°
O6	C6	H61	H62	119.9°	120.0°
H61	C6	O6	HO6	43.3°	60.0°
H62	C6	O6	HO6	163.5°	60.1°

Definition date:	2006-01-23
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	2FET