FY6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	C16	sing	1.43Å	1.42Å
C16	C11	sing	1.51Å	1.48Å
C16	C17	sing	1.53Å	1.52Å
N12	C11	doub	1.30Å	1.34Å	Aromatic
N12	C13	sing	1.34Å	1.34Å	Aromatic
C11	N10	sing	1.35Å	1.34Å	Aromatic
C13	C14	doub	1.35Å	1.37Å	Aromatic
N10	C14	sing	1.37Å	1.34Å	Aromatic
N10	C9	sing	1.47Å	1.46Å
C9	C8	sing	1.53Å	1.52Å
C8	C7	sing	1.53Å	1.51Å
C7	C4	sing	1.51Å	1.50Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C6	C1	sing	1.38Å	1.39Å	Aromatic
C1	CL1	sing	1.74Å	1.78Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.09Å	1.10Å
C17	H14	sing	1.09Å	1.10Å
C17	H15	sing	1.09Å	1.10Å
C17	H16	sing	1.09Å	1.10Å
O18	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	C16	C11	111.6°	109.5°
O18	C16	C17	104.8°	109.5°
O18	C16	H13	110.4°	109.5°
C16	O18	H17	109.5°	114.0°
C11	C16	C17	111.2°	109.5°
C16	C11	N12	124.0°	125.7°
C16	C11	N10	129.0°	125.6°
C11	C16	H13	109.6°	109.5°
C17	C16	H13	109.1°	109.4°
C16	C17	H14	109.5°	109.5°
C16	C17	H15	109.5°	109.5°
C16	C17	H16	109.5°	109.5°
C11	N12	C13	109.2°	109.3°
N12	C11	N10	107.0°	108.7°
N12	C13	C14	107.2°	108.0°
N12	C13	H11	126.4°	126.0°
C11	N10	C14	109.4°	107.2°
C11	N10	C9	128.5°	126.4°
C13	C14	N10	107.2°	106.8°
C14	C13	H11	126.4°	126.0°
C13	C14	H12	126.4°	126.6°
C14	N10	C9	122.1°	126.4°
N10	C14	H12	126.4°	126.6°
N10	C9	C8	106.8°	109.4°
N10	C9	H9	110.1°	109.5°
N10	C9	H10	110.1°	109.5°
C9	C8	C7	109.9°	109.4°
C9	C8	H7	109.4°	109.5°
C9	C8	H8	109.3°	109.4°
C8	C9	H9	110.1°	109.5°
C8	C9	H10	110.1°	109.4°
C8	C7	C4	113.0°	109.4°
C8	C7	H5	108.6°	109.4°
C8	C7	H6	108.6°	109.4°
C7	C8	H7	109.4°	109.5°
C7	C8	H8	109.4°	109.5°
C7	C4	C3	116.4°	120.0°
C7	C4	C5	122.8°	120.0°
C4	C7	H5	108.6°	109.5°
C4	C7	H6	108.6°	109.5°
C3	C4	C5	120.8°	120.0°
C4	C3	C2	120.1°	120.0°
C4	C3	H2	120.0°	120.0°
C4	C5	C6	119.0°	119.9°
C4	C5	H3	120.5°	120.0°
C3	C2	C1	119.0°	120.0°
C3	C2	H1	120.5°	120.0°
C2	C3	H2	120.0°	120.0°
C5	C6	C1	119.8°	120.1°
C6	C5	H3	120.5°	120.0°
C5	C6	H4	120.1°	119.9°
C2	C1	C6	121.2°	119.9°
C2	C1	CL1	119.4°	120.0°
C1	C2	H1	120.5°	120.0°
C6	C1	CL1	119.3°	120.1°
C1	C6	H4	120.1°	120.0°
H5	C7	H6	109.5°	109.5°
H7	C8	H8	109.5°	109.5°
H9	C9	H10	109.5°	109.5°
H14	C17	H15	109.5°	109.5°
H14	C17	H16	109.4°	109.5°
H15	C17	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	C16	C11	C17	116.7°	120.0°
O18	C16	C11	H13	122.7°	120.1°
O18	C16	C17	H13	118.3°	120.0°
O18	C16	C11	N12	12.8°	45.0°
O18	C16	C11	N10	167.2°	135.0°
O18	C16	C17	H14	180.0°	180.0°
O18	C16	C17	H15	60.0°	59.9°
O18	C16	C17	H16	60.0°	60.0°
C11	C16	C17	H13	121.0°	120.0°
C16	C11	N12	N10	180.0°	179.9°
C16	C11	N12	C13	179.9°	179.9°
C16	C11	N10	C14	179.9°	180.0°
C16	C11	N10	C9	0.1°	0.3°
C11	C16	C17	H14	59.2°	60.0°
C11	C16	C17	H15	179.3°	179.9°
C11	C16	C17	H16	60.7°	60.0°
C11	C16	O18	H17	180.0°	60.0°
C17	C16	C11	N12	129.4°	75.0°
C17	C16	C11	N10	50.6°	104.9°
C16	C17	H14	H15	120.0°	120.0°
C16	C17	H14	H16	120.0°	120.0°
C16	C17	H15	H16	120.0°	119.9°
C17	C16	O18	H17	59.6°	60.1°
C11	N12	C13	C14	0.0°	0.0°
N12	C11	N10	C14	0.1°	0.0°
N12	C11	N10	C9	179.9°	179.7°
C11	N12	C13	H11	180.0°	180.0°
N12	C11	C16	H13	109.9°	165.1°
C13	N12	C11	N10	0.1°	0.0°
N12	C13	C14	H11	180.0°	180.0°
N12	C13	C14	N10	0.0°	0.0°
N12	C13	C14	H12	180.0°	179.7°
C11	N10	C14	C13	0.1°	0.0°
C11	N10	C14	C9	179.8°	179.7°
C11	N10	C9	C8	101.1°	85.3°
C11	N10	C9	H9	139.3°	34.7°
C11	N10	C9	H10	18.5°	154.7°
C11	N10	C14	H12	179.9°	179.7°
N10	C11	C16	H13	70.1°	15.0°
C13	C14	N10	H12	180.0°	179.8°
C13	C14	N10	C9	179.9°	179.7°
C14	N10	C9	C8	78.7°	95.0°
C14	N10	C9	H9	40.9°	144.9°
C14	N10	C9	H10	161.8°	24.9°
N10	C14	C13	H11	179.9°	180.0°
N10	C9	C8	H9	119.6°	120.0°
N10	C9	C8	H10	119.6°	119.9°
N10	C9	C8	C7	147.6°	180.0°
N10	C9	C8	H7	92.3°	60.0°
N10	C9	C8	H8	27.6°	60.1°
N10	C9	H9	H10	121.2°	120.0°
C9	N10	C14	H12	0.1°	0.0°
C9	C8	C7	H7	120.1°	120.0°
C9	C8	C7	H8	120.0°	119.9°
C9	C8	C7	C4	157.5°	180.0°
C9	C8	C7	H5	37.0°	60.0°
C9	C8	C7	H6	82.0°	60.0°
C9	C8	H7	H8	119.8°	120.0°
C8	C9	H9	H10	121.2°	120.0°
C8	C7	C4	H5	120.5°	119.9°
C8	C7	C4	H6	120.5°	119.9°
C8	C7	C4	C3	173.1°	90.0°
C8	C7	C4	C5	7.1°	90.0°
C8	C7	H5	H6	118.4°	120.0°
C7	C8	H7	H8	119.8°	120.0°
C7	C8	C9	H9	28.0°	60.0°
C7	C8	C9	H10	92.8°	60.0°
C7	C4	C3	C5	179.8°	180.0°
C7	C4	C3	C2	179.8°	180.0°
C7	C4	C5	C6	180.0°	179.7°
C7	C4	C3	H2	0.1°	0.0°
C7	C4	C5	H3	0.1°	0.0°
C4	C7	H5	H6	118.4°	120.1°
C4	C7	C8	H7	82.4°	60.0°
C4	C7	C8	H8	37.4°	60.0°
C4	C3	C2	H2	180.0°	180.0°
C3	C4	C5	C6	0.3°	0.3°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	C2	H1	179.9°	179.9°
C3	C4	C5	H3	179.7°	180.0°
C3	C4	C7	H5	52.6°	150.1°
C3	C4	C7	H6	66.4°	30.0°
C5	C4	C3	C2	0.0°	0.0°
C4	C5	C6	H3	180.0°	179.7°
C4	C5	C6	C1	0.3°	0.6°
C5	C4	C3	H2	180.0°	180.0°
C4	C5	C6	H4	179.7°	180.0°
C5	C4	C7	H5	127.6°	29.9°
C5	C4	C7	H6	113.4°	150.0°
C3	C2	C1	H1	180.0°	179.9°
C3	C2	C1	C6	0.0°	0.3°
C3	C2	C1	CL1	179.6°	180.0°
C5	C6	C1	C2	0.2°	0.6°
C5	C6	C1	H4	180.0°	179.4°
C5	C6	C1	CL1	179.8°	179.7°
C2	C1	C6	CL1	179.6°	179.7°
C1	C2	C3	H2	179.9°	180.0°
C2	C1	C6	H4	179.8°	180.0°
C6	C1	C2	H1	180.0°	179.8°
C1	C6	C5	H3	179.6°	179.7°
CL1	C1	C2	H1	0.5°	0.0°
CL1	C1	C6	H4	0.2°	0.3°
H1	C2	C3	H2	0.1°	0.1°
H3	C5	C6	H4	0.4°	0.3°
H5	C7	C8	H7	157.0°	180.0°
H5	C7	C8	H8	83.1°	59.9°
H6	C7	C8	H7	38.1°	60.0°
H6	C7	C8	H8	157.9°	180.0°
H7	C8	C9	H9	148.1°	180.0°
H7	C8	C9	H10	27.3°	60.0°
H8	C8	C9	H9	92.0°	59.9°
H8	C8	C9	H10	147.1°	NaN°
H11	C13	C14	H12	0.1°	0.2°
H13	C16	C17	H14	61.7°	60.0°
H13	C16	C17	H15	58.3°	60.1°
H13	C16	C17	H16	178.3°	180.0°
H13	C16	O18	H17	57.9°	180.0°
H14	C17	H15	H16	119.9°	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:	7CI6