FYF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.40Å	Aromatic
C1	C6	doub	1.38Å	1.39Å	Aromatic
C4	C5	doub	1.40Å	1.38Å	Aromatic
C6	C5	sing	1.40Å	1.39Å	Aromatic
C5	C7	sing	1.48Å	1.47Å
C7	O11	sing	1.35Å	1.36Å	Aromatic
C7	C8	doub	1.37Å	1.38Å	Aromatic
O11	N10	sing	1.21Å	1.33Å	Aromatic
C8	C9	sing	1.41Å	1.40Å	Aromatic
N10	C9	doub	1.30Å	1.35Å	Aromatic
C9	C12	sing	1.51Å	1.51Å
C15	C14	doub	1.35Å	1.35Å	Aromatic
C15	N16	sing	1.34Å	1.34Å	Aromatic
C14	N13	sing	1.37Å	1.33Å	Aromatic
N16	C17	doub	1.31Å	1.35Å	Aromatic
C20	C18	sing	1.53Å	1.53Å
N13	C17	sing	1.35Å	1.33Å	Aromatic
N13	C12	sing	1.46Å	1.46Å
C17	C18	sing	1.51Å	1.48Å
C18	O19	sing	1.43Å	1.43Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.09Å	1.10Å
O19	H12	sing	0.97Å	0.95Å
C20	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.09Å	1.10Å
C20	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	119.4°	120.3°
C2	C3	C4	120.3°	120.1°
C3	C2	H2	120.3°	119.9°
C2	C3	H3	119.9°	120.0°
C2	C1	C6	120.3°	120.1°
C2	C1	H1	119.9°	119.9°
C1	C2	H2	120.3°	119.8°
C3	C4	C5	119.9°	119.9°
C4	C3	H3	119.8°	119.9°
C3	C4	H4	120.1°	120.1°
C1	C6	C5	119.8°	119.9°
C6	C1	H1	119.8°	120.0°
C1	C6	H5	120.1°	120.1°
C4	C5	C6	120.2°	119.7°
C4	C5	C7	120.2°	120.2°
C5	C4	H4	120.0°	120.1°
C6	C5	C7	119.5°	120.1°
C5	C6	H5	120.1°	120.0°
C5	C7	O11	125.7°	126.9°
C5	C7	C8	129.7°	127.0°
O11	C7	C8	104.5°	106.2°
C7	O11	N10	113.5°	111.4°
C7	C8	C9	107.5°	103.9°
C7	C8	H6	126.3°	128.0°
O11	N10	C9	105.8°	112.0°
C8	C9	N10	108.6°	106.6°
C8	C9	C12	127.2°	126.7°
C9	C8	H6	126.2°	128.1°
N10	C9	C12	124.2°	126.7°
C9	C12	N13	108.7°	109.5°
C9	C12	H7	109.7°	109.5°
C9	C12	H8	109.7°	109.5°
C14	C15	N16	106.9°	108.0°
C15	C14	N13	108.1°	106.8°
C15	C14	H9	125.9°	126.6°
C14	C15	H10	126.6°	126.0°
C15	N16	C17	108.7°	109.3°
N16	C15	H10	126.6°	126.0°
C14	N13	C17	108.9°	107.2°
C14	N13	C12	123.7°	126.4°
N13	C14	H9	125.9°	126.6°
N16	C17	N13	107.5°	108.7°
N16	C17	C18	125.3°	125.7°
C20	C18	C17	110.6°	109.4°
C20	C18	O19	109.9°	109.5°
C20	C18	H11	108.3°	109.5°
C18	C20	H13	109.5°	109.5°
C18	C20	H14	109.5°	109.5°
C18	C20	H15	109.5°	109.5°
C17	N13	C12	127.4°	126.4°
N13	C17	C18	127.2°	125.6°
N13	C12	H7	109.7°	109.5°
N13	C12	H8	109.7°	109.5°
C17	C18	O19	109.3°	109.5°
C17	C18	H11	109.0°	109.5°
O19	C18	H11	109.6°	109.5°
C18	O19	H12	109.5°	114.0°
H7	C12	H8	109.5°	109.4°
H13	C20	H14	109.4°	109.5°
H13	C20	H15	109.5°	109.4°
H14	C20	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H2	180.0°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C3	C2	C1	C6	0.0°	0.0°
C2	C3	C4	C5	1.4°	0.0°
C3	C2	C1	H1	180.0°	179.7°
C2	C3	C4	H4	178.7°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C2	C1	C6	H1	180.0°	179.8°
C2	C1	C6	C5	1.0°	0.1°
C1	C2	C3	H3	179.9°	180.0°
C2	C1	C6	H5	179.0°	179.7°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	2.4°	0.0°
C3	C4	C5	C7	178.9°	180.0°
C4	C3	C2	H2	179.9°	180.0°
C1	C6	C5	C4	2.3°	0.0°
C1	C6	C5	H5	180.0°	179.6°
C1	C6	C5	C7	178.8°	180.0°
C6	C1	C2	H2	180.0°	179.9°
C4	C5	C6	C7	176.5°	180.0°
C4	C5	C7	O11	159.6°	0.0°
C4	C5	C7	C8	17.6°	179.7°
C5	C4	C3	H3	178.6°	180.0°
C4	C5	C6	H5	177.8°	179.6°
C6	C5	C7	O11	16.9°	179.9°
C6	C5	C7	C8	165.9°	0.2°
C5	C6	C1	H1	178.9°	179.7°
C6	C5	C4	H4	177.6°	179.9°
C5	C7	O11	C8	177.8°	179.8°
C5	C7	O11	N10	178.2°	179.8°
C5	C7	C8	C9	178.6°	180.0°
C7	C5	C4	H4	1.1°	0.0°
C7	C5	C6	H5	1.3°	0.4°
C5	C7	C8	H6	1.4°	0.1°
O11	C7	C8	C9	0.9°	0.2°
C7	O11	N10	C9	0.3°	0.5°
O11	C7	C8	H6	179.1°	179.7°
C8	C7	O11	N10	0.4°	0.5°
C7	C8	C9	H6	180.0°	179.9°
C7	C8	C9	N10	1.1°	0.0°
C7	C8	C9	C12	179.7°	180.0°
O11	N10	C9	C8	0.8°	0.3°
O11	N10	C9	C12	180.0°	179.7°
C8	C9	N10	C12	179.2°	180.0°
C8	C9	C12	N13	54.0°	125.0°
C8	C9	C12	H7	173.8°	115.0°
C8	C9	C12	H8	65.9°	5.0°
N10	C9	C12	N13	125.1°	55.0°
N10	C9	C8	H6	178.9°	179.9°
N10	C9	C12	H7	5.2°	65.0°
N10	C9	C12	H8	115.1°	175.0°
C9	C12	N13	C14	83.2°	94.7°
C9	C12	N13	C17	96.0°	85.0°
C9	C12	N13	H7	119.9°	120.0°
C9	C12	N13	H8	119.9°	120.0°
C12	C9	C8	H6	0.3°	0.1°
C9	C12	H7	H8	120.4°	120.0°
C14	C15	N16	H10	180.0°	180.0°
C15	C14	N13	H9	180.0°	179.9°
C14	C15	N16	C17	0.5°	0.0°
C15	C14	N13	C17	0.8°	0.0°
C15	C14	N13	C12	179.9°	179.7°
N16	C15	C14	N13	0.8°	0.0°
C15	N16	C17	N13	0.1°	0.0°
C15	N16	C17	C18	179.8°	179.8°
N16	C15	C14	H9	179.2°	180.0°
C14	N13	C17	N16	0.4°	0.0°
C14	N13	C17	C12	179.3°	179.7°
C14	N13	C17	C18	179.7°	179.8°
C14	N13	C12	H7	156.9°	145.3°
C14	N13	C12	H8	36.6°	25.3°
N13	C14	C15	H10	179.2°	180.0°
N16	C17	C18	C20	118.9°	74.8°
N16	C17	N13	C18	179.9°	179.8°
N16	C17	N13	C12	179.7°	179.7°
N16	C17	C18	O19	2.3°	45.2°
C17	N16	C15	H10	179.5°	180.0°
N16	C17	C18	H11	122.2°	165.2°
C20	C18	C17	N13	61.3°	105.0°
C20	C18	C17	O19	121.2°	120.0°
C20	C18	C17	H11	119.0°	120.0°
C20	C18	O19	H11	119.0°	120.0°
C20	C18	O19	H12	180.0°	59.9°
C18	C20	H13	H14	120.0°	120.0°
C18	C20	H13	H15	120.0°	120.0°
C18	C20	H14	H15	120.0°	120.0°
N13	C17	C18	O19	177.5°	135.0°
C17	N13	C12	H7	23.9°	35.1°
C17	N13	C12	H8	144.2°	155.0°
C17	N13	C14	H9	179.2°	179.9°
N13	C17	C18	H11	57.7°	15.0°
C12	N13	C17	C18	0.4°	0.1°
N13	C12	H7	H8	120.4°	120.0°
C12	N13	C14	H9	0.1°	0.2°
C17	C18	O19	H11	119.4°	120.0°
C17	C18	O19	H12	58.3°	60.0°
C17	C18	C20	H13	180.0°	60.0°
C17	C18	C20	H14	60.0°	180.0°
C17	C18	C20	H15	60.0°	60.0°
O19	C18	C20	H13	59.2°	179.9°
O19	C18	C20	H14	60.8°	60.0°
O19	C18	C20	H15	179.2°	60.0°
H1	C1	C2	H2	0.0°	0.3°
H1	C1	C6	H5	1.0°	0.1°
H2	C2	C3	H3	0.1°	0.0°
H3	C3	C4	H4	1.3°	0.1°
H9	C14	C15	H10	0.8°	0.0°
H11	C18	O19	H12	61.0°	180.0°
H11	C18	C20	H13	60.6°	60.0°
H11	C18	C20	H14	179.4°	60.0°
H11	C18	C20	H15	59.4°	NaN°
H13	C20	H14	H15	120.0°	120.0°

Release date:	2020-12-02
Definition date:	2020-07-08
Last modified:	2020-11-27
Release status:	REL
Processing site:	PDBJ
Derived from:	7CI8