D5O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C3	sing	1.36Å	1.36Å
C3	C4	sing	1.39Å	1.39Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C2	C1	sing	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.47Å	1.39Å
C5	C9	sing	1.42Å	1.38Å	Aromatic
C1	C9	doub	1.40Å	1.39Å	Aromatic
C1	O1	sing	1.36Å	1.36Å
C6	C7	doub	1.34Å	1.39Å
C9	C8	sing	1.47Å	1.48Å
C7	C10	sing	1.51Å	1.51Å
C7	O3	sing	1.35Å	1.37Å
C8	O3	sing	1.36Å	1.37Å
C8	O4	doub	1.22Å	1.25Å
C10	C11	sing	1.53Å	1.52Å
C17	C11	sing	1.53Å	1.52Å
C17	C12	sing	1.53Å	1.52Å
C11	C15	sing	1.53Å	1.52Å
C12	C13	sing	1.53Å	1.52Å
C15	C14	sing	1.53Å	1.52Å
C13	C14	sing	1.53Å	1.52Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.08Å	1.08Å
C4	H15	sing	1.08Å	1.08Å
C6	H16	sing	1.08Å	1.08Å
O1	H17	sing	0.97Å	0.95Å
O2	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C3	C4	120.3°	119.6°
O2	C3	C2	119.8°	119.5°
C3	O2	H18	109.5°	114.1°
C4	C3	C2	120.0°	120.9°
C3	C4	C5	119.7°	119.5°
C3	C4	H15	120.1°	120.3°
C3	C2	C1	120.2°	120.6°
C3	C2	H14	119.9°	119.7°
C4	C5	C6	120.4°	123.0°
C4	C5	C9	120.3°	119.8°
C5	C4	H15	120.2°	120.2°
C2	C1	C9	119.7°	119.2°
C2	C1	O1	120.2°	120.3°
C1	C2	H14	119.9°	119.7°
C6	C5	C9	119.4°	117.2°
C5	C6	C7	121.0°	118.8°
C5	C6	H16	119.5°	120.6°
C5	C9	C1	120.2°	120.1°
C5	C9	C8	119.0°	116.8°
C9	C1	O1	120.1°	120.4°
C1	C9	C8	120.9°	123.2°
C1	O1	H17	109.5°	114.0°
C6	C7	C10	119.0°	119.0°
C6	C7	O3	121.2°	122.0°
C7	C6	H16	119.5°	120.6°
C9	C8	O3	119.0°	116.7°
C9	C8	O4	120.5°	121.7°
C10	C7	O3	119.7°	119.0°
C7	C10	C11	110.2°	109.5°
C7	C10	H1	109.3°	109.5°
C7	C10	H2	109.3°	109.5°
C7	O3	C8	120.4°	117.8°
O3	C8	O4	120.5°	121.6°
C10	C11	C17	109.2°	109.4°
C10	C11	C15	108.6°	109.5°
C11	C10	H1	109.3°	109.4°
C11	C10	H2	109.3°	109.4°
C10	C11	H3	109.7°	109.5°
C11	C17	C12	111.4°	109.4°
C17	C11	C15	109.9°	109.5°
C17	C11	H3	109.7°	109.5°
C11	C17	H12	109.0°	109.5°
C11	C17	H13	109.0°	109.5°
C17	C12	C13	110.6°	109.5°
C17	C12	H4	109.2°	109.5°
C17	C12	H5	109.2°	109.4°
C12	C17	H12	109.0°	109.5°
C12	C17	H13	109.0°	109.4°
C11	C15	C14	111.1°	109.4°
C15	C11	H3	109.7°	109.5°
C11	C15	H10	109.1°	109.4°
C11	C15	H11	109.1°	109.5°
C12	C13	C14	110.5°	109.5°
C13	C12	H4	109.2°	109.5°
C13	C12	H5	109.2°	109.5°
C12	C13	H6	109.2°	109.5°
C12	C13	H7	109.2°	109.5°
C15	C14	C13	110.5°	109.4°
C15	C14	H8	109.2°	109.4°
C15	C14	H9	109.2°	109.5°
C14	C15	H10	109.0°	109.5°
C14	C15	H11	109.0°	109.5°
C14	C13	H6	109.2°	109.5°
C14	C13	H7	109.2°	109.4°
C13	C14	H8	109.2°	109.5°
C13	C14	H9	109.2°	109.5°
H1	C10	H2	109.5°	109.4°
H4	C12	H5	109.5°	109.5°
H6	C13	H7	109.4°	109.4°
H8	C14	H9	109.5°	109.5°
H10	C15	H11	109.5°	109.5°
H12	C17	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C3	C4	C2	180.0°	179.9°
O2	C3	C4	C5	179.8°	179.9°
O2	C3	C2	C1	179.8°	179.9°
O2	C3	C2	H14	0.2°	0.2°
O2	C3	C4	H15	0.1°	0.1°
C3	C4	C5	H15	180.0°	180.0°
C4	C3	C2	C1	0.2°	0.0°
C3	C4	C5	C6	179.8°	179.8°
C3	C4	C5	C9	0.2°	0.2°
C4	C3	C2	H14	179.8°	179.9°
C4	C3	O2	H18	180.0°	90.0°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	H14	180.0°	179.9°
C3	C2	C1	C9	0.3°	0.1°
C3	C2	C1	O1	179.9°	179.6°
C2	C3	C4	H15	179.9°	180.0°
C2	C3	O2	H18	0.0°	89.9°
C4	C5	C6	C9	180.0°	180.0°
C4	C5	C9	C1	0.3°	0.3°
C4	C5	C6	C7	179.6°	167.5°
C4	C5	C9	C8	179.9°	179.7°
C4	C5	C6	H16	0.4°	12.5°
C2	C1	C9	C5	0.3°	0.3°
C2	C1	C9	O1	179.6°	179.7°
C2	C1	C9	C8	179.9°	179.7°
C2	C1	O1	H17	179.8°	89.7°
C6	C5	C9	C1	179.7°	179.6°
C5	C6	C7	H16	180.0°	180.0°
C6	C5	C9	C8	0.1°	0.4°
C5	C6	C7	C10	179.9°	179.1°
C5	C6	C7	O3	0.6°	1.0°
C6	C5	C4	H15	0.1°	0.3°
C5	C9	C1	C8	179.8°	180.0°
C5	C9	C1	O1	179.9°	179.5°
C9	C5	C6	C7	0.4°	12.5°
C5	C9	C8	O3	0.1°	25.1°
C5	C9	C8	O4	180.0°	155.3°
C9	C5	C4	H15	179.8°	179.8°
C9	C5	C6	H16	179.6°	167.4°
C1	C9	C8	O3	179.9°	154.9°
C1	C9	C8	O4	0.2°	24.7°
C9	C1	C2	H14	179.8°	180.0°
C9	C1	O1	H17	0.2°	90.0°
O1	C1	C9	C8	0.3°	0.6°
O1	C1	C2	H14	0.2°	0.3°
C6	C7	C10	O3	179.3°	179.9°
C6	C7	O3	C8	0.4°	27.8°
C6	C7	C10	C11	133.0°	95.0°
C6	C7	C10	H1	106.9°	25.0°
C6	C7	C10	H2	12.9°	145.0°
C9	C8	O3	C7	0.1°	39.5°
C9	C8	O3	O4	179.9°	179.6°
C10	C7	O3	C8	179.7°	152.3°
C7	C10	C11	H1	120.1°	120.0°
C7	C10	C11	H2	120.1°	120.1°
C7	C10	C11	C17	81.6°	65.0°
C7	C10	C11	C15	158.6°	175.0°
C7	C10	H1	H2	119.7°	120.1°
C7	C10	C11	H3	38.7°	55.0°
C10	C7	C6	H16	0.1°	0.8°
C7	O3	C8	O4	179.8°	140.9°
O3	C7	C10	C11	47.7°	85.1°
O3	C7	C10	H1	72.5°	155.0°
O3	C7	C10	H2	167.8°	35.0°
O3	C7	C6	H16	179.4°	179.1°
C10	C11	C17	C15	119.0°	120.0°
C10	C11	C17	H3	120.2°	120.0°
C10	C11	C17	C12	175.4°	180.0°
C10	C11	C15	H3	119.9°	120.0°
C10	C11	C15	C14	176.1°	180.0°
C11	C10	H1	H2	119.6°	119.9°
C10	C11	C15	H10	63.6°	60.0°
C10	C11	C15	H11	55.9°	60.0°
C10	C11	C17	H12	55.1°	60.0°
C10	C11	C17	H13	64.3°	60.0°
C11	C17	C12	H12	120.3°	120.0°
C11	C17	C12	H13	120.3°	120.0°
C17	C11	C15	H3	120.7°	120.0°
C11	C17	C12	C13	56.7°	60.0°
C17	C11	C15	C14	56.8°	60.1°
C17	C11	C10	H1	158.3°	55.1°
C17	C11	C10	H2	38.5°	175.0°
C11	C17	C12	H4	176.8°	60.0°
C11	C17	C12	H5	63.5°	180.0°
C17	C11	C15	H10	177.0°	180.0°
C17	C11	C15	H11	63.5°	59.9°
C11	C17	H12	H13	119.1°	120.0°
C12	C17	C11	C15	56.3°	60.0°
C17	C12	C13	H4	120.1°	120.1°
C17	C12	C13	H5	120.2°	120.0°
C17	C12	C13	C14	56.7°	60.0°
C12	C17	C11	H3	64.4°	60.0°
C17	C12	H4	H5	119.5°	120.0°
C17	C12	C13	H6	63.5°	60.0°
C17	C12	C13	H7	176.9°	179.9°
C12	C17	H12	H13	119.1°	120.0°
C11	C15	C14	H10	120.3°	119.9°
C11	C15	C14	H11	120.3°	120.0°
C11	C15	C14	C13	57.7°	60.0°
C15	C11	C10	H1	38.4°	65.0°
C15	C11	C10	H2	81.3°	54.9°
C11	C15	C14	H8	62.5°	180.0°
C11	C15	C14	H9	177.8°	60.0°
C11	C15	H10	H11	119.3°	120.0°
C15	C11	C17	H12	63.9°	60.0°
C15	C11	C17	H13	176.6°	180.0°
C12	C13	C14	C15	57.3°	60.0°
C12	C13	C14	H6	120.2°	120.0°
C12	C13	C14	H7	120.2°	120.1°
C13	C12	H4	H5	119.5°	120.0°
C12	C13	H6	H7	119.5°	120.1°
C12	C13	C14	H8	62.8°	180.0°
C12	C13	C14	H9	177.4°	60.0°
C13	C12	C17	H12	63.6°	60.0°
C13	C12	C17	H13	177.0°	180.0°
C15	C14	C13	H8	120.1°	119.9°
C15	C14	C13	H9	120.1°	120.0°
C14	C15	C11	H3	64.0°	60.0°
C15	C14	C13	H6	62.9°	60.0°
C15	C14	C13	H7	177.5°	179.9°
C15	C14	H8	H9	119.5°	120.0°
C14	C15	H10	H11	119.2°	120.0°
C14	C13	C12	H4	176.9°	60.0°
C14	C13	C12	H5	63.5°	180.0°
C14	C13	H6	H7	119.5°	119.9°
C13	C14	H8	H9	119.6°	120.1°
C13	C14	C15	H10	177.9°	180.0°
C13	C14	C15	H11	62.6°	60.0°
H1	C10	C11	H3	81.4°	175.0°
H2	C10	C11	H3	158.8°	65.1°
H3	C11	C15	H10	56.3°	60.0°
H3	C11	C15	H11	175.8°	180.0°
H3	C11	C17	H12	175.3°	NaN°
H3	C11	C17	H13	55.9°	60.0°
H4	C12	C13	H6	56.7°	180.0°
H4	C12	C13	H7	63.0°	60.0°
H4	C12	C17	H12	56.5°	180.0°
H4	C12	C17	H13	62.9°	60.0°
H5	C12	C13	H6	176.4°	60.0°
H5	C12	C13	H7	56.7°	60.0°
H5	C12	C17	H12	176.2°	60.0°
H5	C12	C17	H13	56.8°	60.0°
H6	C13	C14	H8	177.0°	60.0°
H6	C13	C14	H9	57.3°	180.0°
H7	C13	C14	H8	57.3°	60.0°
H7	C13	C14	H9	62.4°	60.1°
H8	C14	C15	H10	57.8°	60.1°
H8	C14	C15	H11	177.2°	60.0°
H9	C14	C15	H10	61.9°	59.9°
H9	C14	C15	H11	57.5°	180.0°

Release date:	2020-04-08
Definition date:	2019-07-03
Last modified:	2020-04-03
Release status:	REL
Processing site:	PDBJ
Derived from:	6KCT