D5F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C3	sing	1.36Å	1.36Å
C3	C4	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.47Å	1.39Å
C5	C9	doub	1.42Å	1.39Å	Aromatic
C1	C9	sing	1.40Å	1.39Å	Aromatic
C1	O1	sing	1.36Å	1.36Å
C6	C7	doub	1.34Å	1.39Å
C9	C8	sing	1.47Å	1.49Å
C7	C10	sing	1.51Å	1.51Å
C7	O3	sing	1.35Å	1.38Å
C8	O3	sing	1.36Å	1.37Å
C8	O4	doub	1.22Å	1.25Å
C10	C11	sing	1.53Å	1.53Å
C16	C12	sing	1.53Å	1.52Å
C17	C12	sing	1.53Å	1.53Å
C17	C11	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.53Å
C11	C15	sing	1.53Å	1.53Å
C15	C14	sing	1.53Å	1.52Å
C13	C14	sing	1.53Å	1.52Å
C11	H1	sing	1.09Å	1.10Å
C12	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.08Å	1.08Å
C4	H8	sing	1.08Å	1.08Å
C6	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.09Å	1.10Å
C16	H15	sing	1.09Å	1.10Å
C16	H16	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C17	H18	sing	1.09Å	1.10Å
O1	H19	sing	0.97Å	0.95Å
O2	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C3	C4	119.7°	119.6°
O2	C3	C2	120.1°	119.6°
C3	O2	H20	109.5°	114.0°
C4	C3	C2	120.2°	120.9°
C3	C4	C5	119.7°	119.4°
C3	C4	H8	120.1°	120.3°
C3	C2	C1	120.0°	120.6°
C3	C2	H7	120.0°	119.7°
C4	C5	C6	120.3°	123.0°
C4	C5	C9	120.2°	119.8°
C5	C4	H8	120.1°	120.3°
C2	C1	C9	119.7°	119.2°
C2	C1	O1	120.4°	120.4°
C1	C2	H7	120.0°	119.7°
C6	C5	C9	119.5°	117.3°
C5	C6	C7	121.2°	118.7°
C5	C6	H9	119.4°	120.7°
C5	C9	C1	120.2°	120.1°
C5	C9	C8	118.8°	116.8°
C9	C1	O1	119.9°	120.4°
C1	C9	C8	121.0°	123.2°
C1	O1	H19	109.5°	114.0°
C6	C7	C10	118.6°	119.0°
C6	C7	O3	121.1°	122.0°
C7	C6	H9	119.4°	120.6°
C9	C8	O3	119.1°	116.6°
C9	C8	O4	120.1°	121.7°
C10	C7	O3	120.4°	119.0°
C7	C10	C11	110.7°	109.5°
C7	C10	H5	109.2°	109.5°
C7	C10	H6	109.2°	109.5°
C7	O3	C8	120.4°	117.8°
O3	C8	O4	120.8°	121.6°
C10	C11	C17	111.0°	109.5°
C10	C11	C15	109.4°	109.4°
C10	C11	H1	108.5°	109.5°
C11	C10	H5	109.2°	109.4°
C11	C10	H6	109.2°	109.5°
C16	C12	C17	110.8°	109.5°
C16	C12	C13	109.9°	109.5°
C16	C12	H2	108.5°	109.5°
C12	C16	H14	109.5°	109.5°
C12	C16	H15	109.4°	109.5°
C12	C16	H16	109.4°	109.5°
C12	C17	C11	113.2°	109.5°
C17	C12	C13	110.5°	109.4°
C17	C12	H2	108.5°	109.5°
C12	C17	H17	108.5°	109.5°
C12	C17	H18	108.5°	109.4°
C17	C11	C15	111.0°	109.5°
C17	C11	H1	108.4°	109.5°
C11	C17	H17	108.5°	109.5°
C11	C17	H18	108.5°	109.5°
C12	C13	C14	112.5°	109.5°
C13	C12	H2	108.5°	109.5°
C12	C13	H3	108.7°	109.5°
C12	C13	H4	108.7°	109.4°
C11	C15	C14	110.5°	109.5°
C15	C11	H1	108.5°	109.5°
C11	C15	H12	109.2°	109.5°
C11	C15	H13	109.2°	109.5°
C15	C14	C13	111.3°	109.4°
C15	C14	H10	109.0°	109.5°
C15	C14	H11	109.0°	109.5°
C14	C15	H12	109.2°	109.4°
C14	C15	H13	109.2°	109.5°
C14	C13	H3	108.7°	109.5°
C14	C13	H4	108.7°	109.5°
C13	C14	H10	109.0°	109.5°
C13	C14	H11	109.0°	109.4°
H3	C13	H4	109.5°	109.5°
H5	C10	H6	109.5°	109.4°
H10	C14	H11	109.5°	109.5°
H12	C15	H13	109.5°	109.5°
H14	C16	H15	109.4°	109.4°
H14	C16	H16	109.5°	109.4°
H15	C16	H16	109.5°	109.5°
H17	C17	H18	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	180.0°	179.9°
O2	C3	C2	C1	179.9°	179.8°
O2	C3	C2	H7	0.1°	0.1°
O2	C3	C4	H8	0.0°	0.1°
C3	C4	C5	H8	180.0°	180.0°
C4	C3	C2	C1	0.1°	0.1°
C3	C4	C5	C6	179.9°	179.7°
C3	C4	C5	C9	0.0°	0.2°
C4	C3	C2	H7	179.9°	180.0°
C4	C3	O2	H20	180.0°	90.0°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	H7	180.0°	179.9°
C3	C2	C1	C9	0.2°	0.1°
C3	C2	C1	O1	179.9°	179.7°
C2	C3	C4	H8	180.0°	180.0°
C2	C3	O2	H20	0.0°	90.0°
C4	C5	C6	C9	179.9°	179.9°
C4	C5	C9	C1	0.1°	0.4°
C4	C5	C6	C7	179.8°	167.5°
C4	C5	C9	C8	180.0°	179.7°
C4	C5	C6	H9	0.2°	12.4°
C2	C1	C9	C5	0.2°	0.3°
C2	C1	C9	O1	179.7°	179.8°
C2	C1	C9	C8	179.9°	179.8°
C2	C1	O1	H19	179.8°	89.7°
C6	C5	C9	C1	179.8°	179.5°
C5	C6	C7	H9	180.0°	179.9°
C6	C5	C9	C8	0.1°	0.4°
C5	C6	C7	C10	179.9°	179.2°
C5	C6	C7	O3	0.4°	0.9°
C6	C5	C4	H8	0.1°	0.3°
C5	C9	C1	C8	179.9°	179.9°
C5	C9	C1	O1	179.9°	179.5°
C9	C5	C6	C7	0.3°	12.6°
C5	C9	C8	O3	0.0°	25.1°
C5	C9	C8	O4	180.0°	155.3°
C9	C5	C4	H8	180.0°	179.8°
C9	C5	C6	H9	179.7°	167.4°
C1	C9	C8	O3	179.8°	155.0°
C1	C9	C8	O4	0.1°	24.6°
C9	C1	C2	H7	179.8°	179.9°
C9	C1	O1	H19	0.1°	90.1°
O1	C1	C9	C8	0.2°	0.4°
O1	C1	C2	H7	0.1°	0.4°
C6	C7	C10	O3	179.6°	180.0°
C6	C7	O3	C8	0.4°	27.8°
C6	C7	C10	C11	148.4°	95.0°
C6	C7	C10	H5	91.4°	25.0°
C6	C7	C10	H6	28.3°	145.0°
C9	C8	O3	C7	0.2°	39.5°
C9	C8	O3	O4	180.0°	179.5°
C10	C7	O3	C8	180.0°	152.3°
C7	C10	C11	H5	120.2°	120.0°
C7	C10	C11	H6	120.2°	120.1°
C7	C10	C11	C17	59.3°	175.0°
C7	C10	C11	C15	177.9°	65.0°
C7	C10	C11	H1	59.8°	55.0°
C7	C10	H5	H6	119.5°	120.1°
C10	C7	C6	H9	0.1°	0.9°
C7	O3	C8	O4	179.8°	140.9°
O3	C7	C10	C11	31.9°	85.1°
O3	C7	C10	H5	88.2°	155.0°
O3	C7	C10	H6	152.1°	35.0°
O3	C7	C6	H9	179.6°	179.1°
C10	C11	C17	C12	99.6°	NaN°
C10	C11	C17	C15	121.8°	120.0°
C10	C11	C17	H1	119.1°	120.0°
C10	C11	C15	H1	118.2°	120.0°
C10	C11	C15	C14	161.6°	180.0°
C11	C10	H5	H6	119.5°	119.9°
C10	C11	C15	H12	78.2°	60.0°
C10	C11	C15	H13	41.5°	60.0°
C10	C11	C17	H17	139.9°	60.0°
C10	C11	C17	H18	21.0°	60.0°
C16	C12	C17	C13	122.1°	120.0°
C16	C12	C17	H2	119.0°	120.0°
C16	C12	C17	C11	176.4°	60.0°
C16	C12	C13	H2	118.5°	120.0°
C16	C12	C13	C14	157.5°	60.0°
C16	C12	C13	H3	82.1°	180.0°
C16	C12	C13	H4	37.0°	60.0°
C12	C16	H14	H15	120.0°	120.0°
C12	C16	H14	H16	120.0°	120.0°
C12	C16	H15	H16	120.0°	120.0°
C16	C12	C17	H17	63.1°	180.0°
C16	C12	C17	H18	55.8°	60.0°
C12	C17	C11	H17	120.5°	120.0°
C12	C17	C11	H18	120.6°	120.0°
C17	C12	C13	H2	118.8°	120.0°
C12	C17	C11	C15	22.2°	60.0°
C17	C12	C13	C14	34.8°	60.0°
C12	C17	C11	H1	141.3°	60.0°
C17	C12	C13	H3	155.3°	60.0°
C17	C12	C13	H4	85.6°	180.0°
C17	C12	C16	H14	180.0°	180.0°
C17	C12	C16	H15	60.0°	60.0°
C17	C12	C16	H16	60.0°	60.0°
C12	C17	H17	H18	118.3°	120.0°
C11	C17	C12	C13	61.5°	60.0°
C17	C11	C15	H1	119.0°	120.0°
C17	C11	C15	C14	38.8°	60.0°
C11	C17	C12	H2	57.4°	180.0°
C17	C11	C10	H5	179.5°	55.0°
C17	C11	C10	H6	60.9°	64.9°
C17	C11	C15	H12	159.0°	180.0°
C17	C11	C15	H13	81.3°	60.0°
C11	C17	H17	H18	118.3°	120.0°
C12	C13	C14	C15	25.4°	60.0°
C12	C13	C14	H3	120.5°	120.0°
C12	C13	C14	H4	120.5°	120.0°
C12	C13	H3	H4	118.6°	120.0°
C12	C13	C14	H10	94.9°	179.9°
C12	C13	C14	H11	145.6°	60.0°
C13	C12	C16	H14	57.6°	60.0°
C13	C12	C16	H15	177.6°	180.0°
C13	C12	C16	H16	62.4°	60.0°
C13	C12	C17	H17	59.0°	60.0°
C13	C12	C17	H18	177.9°	180.0°
C11	C15	C14	H12	120.2°	120.0°
C11	C15	C14	H13	120.1°	120.0°
C11	C15	C14	C13	65.3°	60.0°
C15	C11	C10	H5	57.8°	175.0°
C15	C11	C10	H6	61.9°	55.1°
C11	C15	C14	H10	54.9°	180.0°
C11	C15	C14	H11	174.4°	59.9°
C11	C15	H12	H13	119.5°	120.0°
C15	C11	C17	H17	98.3°	60.0°
C15	C11	C17	H18	142.8°	180.0°
C15	C14	C13	H10	120.3°	120.1°
C15	C14	C13	H11	120.3°	119.9°
C14	C15	C11	H1	80.2°	60.0°
C15	C14	C13	H3	95.1°	60.0°
C15	C14	C13	H4	145.8°	180.0°
C15	C14	H10	H11	119.2°	120.0°
C14	C15	H12	H13	119.5°	120.0°
C14	C13	C12	H2	84.0°	180.0°
C14	C13	H3	H4	118.6°	120.0°
C13	C14	H10	H11	119.2°	120.0°
C13	C14	C15	H12	174.5°	180.0°
C13	C14	C15	H13	54.8°	60.0°
H1	C11	C10	H5	60.4°	65.0°
H1	C11	C10	H6	179.9°	175.0°
H1	C11	C15	H12	40.0°	60.0°
H1	C11	C15	H13	159.7°	180.0°
H1	C11	C17	H17	20.8°	180.0°
H1	C11	C17	H18	98.1°	60.0°
H2	C12	C13	H3	36.4°	60.0°
H2	C12	C13	H4	155.5°	60.0°
H2	C12	C16	H14	60.9°	60.0°
H2	C12	C16	H15	59.1°	60.0°
H2	C12	C16	H16	179.1°	180.0°
H2	C12	C17	H17	177.9°	60.0°
H2	C12	C17	H18	63.2°	60.0°
H3	C13	C14	H10	144.6°	60.0°
H3	C13	C14	H11	25.2°	180.0°
H4	C13	C14	H10	25.5°	60.0°
H4	C13	C14	H11	93.9°	60.0°
H10	C14	C15	H12	65.2°	60.0°
H10	C14	C15	H13	175.1°	60.0°
H11	C14	C15	H12	54.2°	60.0°
H11	C14	C15	H13	65.5°	180.0°
H14	C16	H15	H16	120.0°	119.9°

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