FY1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O17	C9	doub	1.22Å	1.23Å
O19	N16	doub	1.22Å	1.38Å
N16	O18	sing	1.22Å	1.23Å
N16	C15	sing	1.48Å	1.40Å
C9	C10	sing	1.48Å	1.50Å
C9	N8	sing	1.35Å	1.32Å
BR2	C4	sing	1.89Å	1.88Å
C15	C10	doub	1.40Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.40Å	Aromatic
C5	C4	doub	1.38Å	1.40Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C10	C11	sing	1.40Å	1.39Å	Aromatic
C7	C6	sing	1.51Å	1.51Å
C7	N8	sing	1.46Å	1.46Å
C4	C3	sing	1.38Å	1.39Å	Aromatic
C6	C1	doub	1.39Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.39Å	1.38Å	Aromatic
C1	O20	sing	1.36Å	1.37Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C2	BR1	sing	1.89Å	1.89Å
O20	C21	sing	1.43Å	1.43Å
C13	C12	sing	1.38Å	1.39Å	Aromatic
C8	O25	sing	1.43Å	1.43Å
O25	C21	sing	1.43Å	1.43Å
C12	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.09Å	1.10Å
C21	H11	sing	1.09Å	1.10Å
N8	H12	sing	0.97Å	1.00Å
C11	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O17	C9	C10	118.4°	120.0°
O17	C9	N8	121.8°	120.0°
O19	N16	O18	119.4°	119.9°
O19	N16	C15	118.7°	120.1°
O18	N16	C15	121.8°	120.0°
N16	C15	C10	122.1°	120.1°
N16	C15	C14	118.2°	120.1°
C10	C9	N8	119.8°	120.0°
C9	C10	C15	122.8°	120.2°
C9	C10	C11	116.9°	120.1°
C9	N8	C7	123.4°	120.0°
C9	N8	H12	118.3°	120.0°
BR2	C4	C5	120.1°	120.0°
BR2	C4	C3	119.7°	120.0°
C10	C15	C14	119.6°	119.8°
C15	C10	C11	120.3°	119.7°
C15	C14	C13	119.9°	120.2°
C15	C14	H2	120.0°	119.9°
C4	C5	C6	119.9°	120.1°
C5	C4	C3	120.2°	120.1°
C4	C5	H8	120.1°	120.0°
C5	C6	C7	122.6°	120.0°
C5	C6	C1	119.9°	119.9°
C6	C5	H8	120.1°	120.0°
C10	C11	C12	119.9°	119.8°
C10	C11	H13	120.0°	120.1°
C6	C7	N8	115.9°	109.5°
C7	C6	C1	117.5°	120.0°
C6	C7	H6	107.8°	109.4°
C6	C7	H7	107.8°	109.5°
N8	C7	H6	107.8°	109.5°
N8	C7	H7	107.8°	109.5°
C7	N8	H12	118.3°	120.0°
C4	C3	C2	119.1°	120.1°
C4	C3	H9	120.5°	120.0°
C6	C1	C2	119.9°	119.9°
C6	C1	O20	119.8°	120.1°
C14	C13	C12	120.2°	120.3°
C13	C14	H2	120.0°	119.9°
C14	C13	H14	119.9°	119.9°
C3	C2	C1	121.1°	119.9°
C3	C2	BR1	120.1°	120.0°
C2	C3	H9	120.5°	120.0°
C2	C1	O20	120.3°	120.0°
C1	C2	BR1	118.8°	120.0°
C1	O20	C21	121.1°	117.0°
C11	C12	C13	120.0°	120.2°
C11	C12	H1	120.0°	119.9°
C12	C11	H13	120.1°	120.1°
O20	C21	O25	110.3°	109.5°
O20	C21	H10	109.2°	109.5°
O20	C21	H11	109.3°	109.5°
C13	C12	H1	120.0°	120.0°
C12	C13	H14	119.9°	119.8°
C8	O25	C21	112.7°	114.0°
O25	C8	H3	109.5°	109.5°
O25	C8	H4	109.5°	109.5°
O25	C8	H5	109.4°	109.5°
O25	C21	H10	109.3°	109.5°
O25	C21	H11	109.3°	109.5°
H3	C8	H4	109.5°	109.4°
H3	C8	H5	109.5°	109.5°
H4	C8	H5	109.5°	109.4°
H6	C7	H7	109.5°	109.5°
H10	C21	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O17	C9	C10	N8	178.3°	180.0°
O17	C9	C10	C15	60.3°	58.7°
O17	C9	C10	C11	117.6°	121.3°
O17	C9	N8	C7	1.0°	5.0°
O17	C9	N8	H12	179.0°	175.0°
O19	N16	O18	C15	176.8°	179.7°
O19	N16	C15	C10	146.8°	2.7°
O19	N16	C15	C14	34.0°	177.0°
O18	N16	C15	C10	36.4°	177.0°
O18	N16	C15	C14	142.8°	3.3°
N16	C15	C10	C9	2.5°	0.0°
N16	C15	C10	C14	179.3°	179.7°
N16	C15	C10	C11	179.6°	180.0°
N16	C15	C14	C13	179.0°	180.0°
N16	C15	C14	H2	0.9°	0.0°
C9	C10	C15	C11	177.9°	180.0°
C9	C10	C15	C14	178.2°	179.7°
C10	C9	N8	C7	177.2°	175.0°
C9	C10	C11	C12	178.9°	180.0°
C10	C9	N8	H12	2.8°	5.0°
C9	C10	C11	H13	1.1°	0.1°
N8	C9	C10	C15	121.4°	121.3°
N8	C9	C10	C11	60.6°	58.8°
C9	N8	C7	C6	93.5°	175.0°
C9	N8	C7	H12	180.0°	179.9°
C9	N8	C7	H6	27.4°	65.1°
C9	N8	C7	H7	145.5°	55.0°
BR2	C4	C5	C3	179.9°	179.8°
BR2	C4	C5	C6	179.7°	179.9°
BR2	C4	C3	C2	179.9°	179.7°
BR2	C4	C5	H8	0.3°	0.3°
BR2	C4	C3	H9	0.1°	0.1°
C10	C15	C14	C13	0.2°	0.3°
C15	C10	C11	C12	0.8°	0.1°
C10	C15	C14	H2	179.8°	179.7°
C15	C10	C11	H13	179.2°	179.9°
C14	C15	C10	C11	0.3°	0.3°
C15	C14	C13	H2	180.0°	180.0°
C15	C14	C13	C12	0.2°	0.0°
C15	C14	C13	H14	179.7°	180.0°
C4	C5	C6	H8	180.0°	179.7°
C4	C5	C6	C7	179.3°	179.9°
C4	C5	C6	C1	0.9°	0.0°
C5	C4	C3	C2	0.0°	0.4°
C5	C4	C3	H9	180.0°	180.0°
C5	C6	C7	C1	178.4°	179.9°
C5	C6	C7	N8	34.1°	104.3°
C6	C5	C4	C3	0.4°	0.2°
C5	C6	C1	C2	1.0°	0.1°
C5	C6	C1	O20	179.2°	180.0°
C5	C6	C7	H6	86.9°	15.7°
C5	C6	C7	H7	155.0°	135.7°
C10	C11	C12	H13	180.0°	179.9°
C10	C11	C12	C13	0.9°	0.3°
C10	C11	C12	H1	179.2°	180.0°
C6	C7	N8	H6	120.9°	120.0°
C6	C7	N8	H7	120.9°	120.0°
C7	C6	C1	C2	179.5°	179.9°
C7	C6	C1	O20	0.8°	0.1°
C6	C7	H6	H7	117.1°	120.0°
C7	C6	C5	H8	0.7°	0.4°
C6	C7	N8	H12	86.4°	5.0°
N8	C7	C6	C1	147.5°	75.6°
N8	C7	H6	H7	117.1°	120.0°
C4	C3	C2	H9	180.0°	179.6°
C4	C3	C2	C1	0.1°	0.4°
C4	C3	C2	BR1	179.8°	179.8°
C3	C4	C5	H8	179.6°	179.9°
C6	C1	C2	C3	0.6°	0.2°
C6	C1	C2	O20	179.7°	180.0°
C6	C1	C2	BR1	179.2°	180.0°
C6	C1	O20	C21	88.0°	83.1°
C1	C6	C7	H6	91.5°	164.4°
C1	C6	C7	H7	26.6°	44.4°
C1	C6	C5	H8	179.1°	179.7°
C14	C13	C12	C11	0.3°	0.3°
C14	C13	C12	H14	180.0°	180.0°
C14	C13	C12	H1	179.7°	180.0°
C3	C2	C1	BR1	179.9°	179.8°
C3	C2	C1	O20	179.6°	179.8°
C2	C1	O20	C21	91.8°	96.9°
C1	C2	C3	H9	179.9°	179.9°
O20	C1	C2	BR1	0.5°	0.0°
C1	O20	C21	O25	170.1°	76.6°
C1	O20	C21	H10	69.7°	43.5°
C1	O20	C21	H11	50.0°	163.4°
C11	C12	C13	H1	180.0°	179.7°
C11	C12	C13	H14	179.7°	179.7°
BR1	C2	C3	H9	0.2°	0.2°
O20	C21	O25	C8	83.0°	76.8°
O20	C21	O25	H10	120.1°	120.1°
O20	C21	O25	H11	120.1°	120.0°
O20	C21	H10	H11	119.6°	120.0°
C12	C13	C14	H2	179.8°	180.0°
C13	C12	C11	H13	179.2°	179.8°
O25	C8	H3	H4	120.0°	120.0°
O25	C8	H3	H5	120.0°	120.0°
O25	C8	H4	H5	120.0°	120.0°
C8	O25	C21	H10	156.9°	163.1°
C8	O25	C21	H11	37.2°	43.2°
C21	O25	C8	H3	180.0°	54.1°
C21	O25	C8	H4	60.0°	65.9°
C21	O25	C8	H5	60.0°	174.2°
O25	C21	H10	H11	119.6°	119.9°
H1	C12	C11	H13	0.8°	0.1°
H1	C12	C13	H14	0.3°	0.0°
H2	C14	C13	H14	0.2°	0.0°
H3	C8	H4	H5	120.0°	120.0°
H6	C7	N8	H12	152.6°	115.0°
H7	C7	N8	H12	34.5°	125.0°

Release date:	2018-08-08
Definition date:	2018-04-23
Last modified:	2018-08-03
Release status:	REL
Processing site:	RCSB
Derived from:	6D6P