FYB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C10	doub	1.22Å	0.00Å
C10	C11	sing	1.48Å	0.00Å
C10	C9	sing	1.47Å	0.00Å
F2	C13	sing	1.35Å	0.00Å
C12	C11	doub	1.39Å	0.00Å	Aromatic
C12	C13	sing	1.38Å	0.00Å	Aromatic
C11	C16	sing	1.41Å	0.00Å	Aromatic
C9	C8	doub	1.36Å	0.00Å
C13	C14	doub	1.39Å	0.00Å	Aromatic
C16	C15	doub	1.39Å	0.00Å	Aromatic
C16	O3	sing	1.35Å	0.00Å
C8	O3	sing	1.34Å	0.00Å
C8	C7	sing	1.48Å	0.00Å
C14	C15	sing	1.38Å	0.00Å	Aromatic
O1	C7	doub	1.21Å	0.00Å
C7	N	sing	1.35Å	0.00Å
N	C6	sing	1.47Å	0.00Å
C1	C2	sing	1.53Å	0.00Å
C1	C	sing	1.53Å	0.00Å
C2	C3	sing	1.53Å	0.00Å
F	C3	sing	1.40Å	0.00Å
C6	C	sing	1.53Å	0.00Å
C3	F1	sing	1.40Å	0.00Å
C3	C4	sing	1.53Å	0.00Å
C	O	sing	1.43Å	0.00Å
C	C5	sing	1.53Å	0.00Å
C5	C4	sing	1.53Å	0.00Å
C2	H1	sing	1.09Å	0.00Å
C2	H2	sing	1.09Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C1	H4	sing	1.09Å	0.00Å
C9	H5	sing	1.08Å	0.00Å
C4	H6	sing	1.09Å	0.00Å
C4	H7	sing	1.09Å	0.00Å
C5	H8	sing	1.09Å	0.00Å
C5	H9	sing	1.09Å	0.00Å
C15	H10	sing	1.08Å	0.00Å
C12	H11	sing	1.08Å	0.00Å
C14	H12	sing	1.08Å	0.00Å
N	H13	sing	0.97Å	0.00Å
C6	H14	sing	1.09Å	0.00Å
C6	H15	sing	1.09Å	0.00Å
O	H16	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C10	C11	90.0°	122.1°
O2	C10	C9	90.0°	122.1°
C11	C10	C9	90.0°	115.8°
C10	C11	C12	90.0°	121.4°
C10	C11	C16	90.0°	118.0°
C10	C9	C8	90.0°	118.1°
C10	C9	H5	90.0°	121.0°
F2	C13	C12	90.0°	119.9°
F2	C13	C14	90.0°	120.0°
C11	C12	C13	90.0°	119.5°
C12	C11	C16	90.0°	120.5°
C11	C12	H11	90.0°	120.2°
C12	C13	C14	90.0°	120.1°
C13	C12	H11	90.0°	120.3°
C11	C16	C15	90.0°	119.0°
C11	C16	O3	90.0°	120.5°
C9	C8	O3	90.0°	123.1°
C9	C8	C7	90.0°	118.5°
C8	C9	H5	90.0°	120.9°
C13	C14	C15	90.0°	120.8°
C13	C14	H12	90.0°	119.5°
C15	C16	O3	90.0°	120.5°
C16	C15	C14	90.0°	120.1°
C16	C15	H10	90.0°	120.0°
C16	O3	C8	90.0°	121.2°
O3	C8	C7	90.0°	118.4°
C8	C7	O1	90.0°	120.0°
C8	C7	N	90.0°	120.0°
C14	C15	H10	90.0°	119.9°
C15	C14	H12	90.0°	119.7°
O1	C7	N	90.0°	120.1°
C7	N	C6	90.0°	120.0°
C7	N	H13	90.0°	120.0°
N	C6	C	90.0°	109.5°
C6	N	H13	90.0°	120.0°
N	C6	H14	90.0°	109.4°
N	C6	H15	90.0°	109.4°
C2	C1	C	90.0°	109.5°
C1	C2	C3	90.0°	109.5°
C1	C2	H1	90.0°	109.5°
C1	C2	H2	90.0°	109.5°
C2	C1	H3	90.0°	109.5°
C2	C1	H4	90.0°	109.5°
C1	C	C6	90.0°	109.5°
C1	C	O	90.0°	109.5°
C1	C	C5	90.0°	109.4°
C	C1	H3	90.0°	109.5°
C	C1	H4	90.0°	109.5°
C2	C3	F	90.0°	109.5°
C2	C3	F1	90.0°	109.5°
C2	C3	C4	90.0°	109.5°
C3	C2	H1	90.0°	109.5°
C3	C2	H2	90.0°	109.5°
F	C3	F1	90.0°	109.5°
F	C3	C4	90.0°	109.5°
C6	C	O	90.0°	109.5°
C6	C	C5	90.0°	109.5°
C	C6	H14	90.0°	109.4°
C	C6	H15	90.0°	109.5°
F1	C3	C4	90.0°	109.4°
C3	C4	C5	90.0°	109.5°
C3	C4	H6	90.0°	109.5°
C3	C4	H7	90.0°	109.5°
O	C	C5	90.0°	109.5°
C	O	H16	90.0°	114.0°
C	C5	C4	90.0°	109.5°
C	C5	H8	90.0°	109.4°
C	C5	H9	90.0°	109.4°
C5	C4	H6	90.0°	109.5°
C5	C4	H7	90.0°	109.5°
C4	C5	H8	90.0°	109.5°
C4	C5	H9	90.0°	109.5°
H1	C2	H2	90.0°	109.5°
H3	C1	H4	90.0°	109.4°
H6	C4	H7	90.0°	109.4°
H8	C5	H9	90.0°	109.5°
H14	C6	H15	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C10	C11	C9	90.0°	180.0°
O2	C10	C11	C12	90.0°	12.9°
O2	C10	C11	C16	90.0°	167.2°
O2	C10	C9	C8	90.0°	167.2°
O2	C10	C9	H5	90.0°	12.8°
C10	C11	C12	C16	90.0°	179.9°
C10	C11	C12	C13	90.0°	179.6°
C11	C10	C9	C8	90.0°	12.8°
C10	C11	C16	C15	90.0°	179.2°
C10	C11	C16	O3	90.0°	1.0°
C11	C10	C9	H5	90.0°	167.2°
C10	C11	C12	H11	90.0°	0.4°
C9	C10	C11	C12	90.0°	167.1°
C9	C10	C11	C16	90.0°	12.7°
C10	C9	C8	H5	90.0°	180.0°
C10	C9	C8	O3	90.0°	1.2°
C10	C9	C8	C7	90.0°	179.3°
F2	C13	C12	C11	90.0°	179.7°
F2	C13	C12	C14	90.0°	179.8°
F2	C13	C14	C15	90.0°	179.8°
F2	C13	C12	H11	90.0°	0.3°
F2	C13	C14	H12	90.0°	0.1°
C11	C12	C13	H11	90.0°	180.0°
C11	C12	C13	C14	90.0°	0.1°
C12	C11	C16	C15	90.0°	0.7°
C12	C11	C16	O3	90.0°	179.1°
C13	C12	C11	C16	90.0°	0.3°
C12	C13	C14	C15	90.0°	0.0°
C12	C13	C14	H12	90.0°	179.9°
C11	C16	C15	O3	90.0°	179.8°
C11	C16	O3	C8	90.0°	15.9°
C11	C16	C15	C14	90.0°	0.7°
C11	C16	C15	H10	90.0°	179.7°
C16	C11	C12	H11	90.0°	179.8°
C9	C8	O3	C16	90.0°	16.3°
C9	C8	O3	C7	90.0°	179.5°
C9	C8	C7	O1	90.0°	0.5°
C9	C8	C7	N	90.0°	179.5°
C13	C14	C15	C16	90.0°	0.4°
C13	C14	C15	H12	90.0°	179.9°
C13	C14	C15	H10	90.0°	180.0°
C14	C13	C12	H11	90.0°	179.9°
C15	C16	O3	C8	90.0°	164.3°
C16	C15	C14	H10	90.0°	179.6°
C16	C15	C14	H12	90.0°	179.5°
C16	O3	C8	C7	90.0°	164.2°
O3	C16	C15	C14	90.0°	179.0°
O3	C16	C15	H10	90.0°	0.5°
O3	C8	C7	O1	90.0°	180.0°
O3	C8	C7	N	90.0°	0.1°
O3	C8	C9	H5	90.0°	178.9°
C8	C7	O1	N	90.0°	180.0°
C8	C7	N	C6	90.0°	180.0°
C7	C8	C9	H5	90.0°	0.6°
C8	C7	N	H13	90.0°	0.1°
O1	C7	N	C6	90.0°	0.0°
O1	C7	N	H13	90.0°	180.0°
C7	N	C6	H13	90.0°	179.9°
C7	N	C6	C	90.0°	180.0°
C7	N	C6	H14	90.0°	60.0°
C7	N	C6	H15	90.0°	60.0°
N	C6	C	C1	90.0°	175.0°
N	C6	C	H14	90.0°	120.0°
N	C6	C	H15	90.0°	120.0°
N	C6	C	O	90.0°	65.0°
N	C6	C	C5	90.0°	55.0°
N	C6	H14	H15	90.0°	119.9°
C2	C1	C	H3	90.0°	120.1°
C2	C1	C	H4	90.0°	120.0°
C1	C2	C3	H1	90.0°	120.0°
C1	C2	C3	H2	90.0°	120.0°
C1	C2	C3	F	90.0°	60.0°
C2	C1	C	C6	90.0°	180.0°
C1	C2	C3	F1	90.0°	180.0°
C1	C2	C3	C4	90.0°	60.0°
C2	C1	C	O	90.0°	60.0°
C2	C1	C	C5	90.0°	60.0°
C1	C2	H1	H2	90.0°	120.0°
C2	C1	H3	H4	90.0°	120.0°
C	C1	C2	C3	90.0°	60.0°
C1	C	C6	O	90.0°	120.0°
C1	C	C6	C5	90.0°	120.0°
C1	C	O	C5	90.0°	120.0°
C1	C	C5	C4	90.0°	60.0°
C	C1	C2	H1	90.0°	60.0°
C	C1	C2	H2	90.0°	180.0°
C	C1	H3	H4	90.0°	119.9°
C1	C	C5	H8	90.0°	180.0°
C1	C	C5	H9	90.0°	60.1°
C1	C	C6	H14	90.0°	65.0°
C1	C	C6	H15	90.0°	55.0°
C1	C	O	H16	90.0°	180.0°
C2	C3	F	F1	90.0°	120.0°
C2	C3	F	C4	90.0°	120.0°
C2	C3	F1	C4	90.0°	119.9°
C2	C3	C4	C5	90.0°	60.0°
C3	C2	H1	H2	90.0°	120.0°
C3	C2	C1	H3	90.0°	60.0°
C3	C2	C1	H4	90.0°	180.0°
C2	C3	C4	H6	90.0°	60.0°
C2	C3	C4	H7	90.0°	179.9°
F	C3	F1	C4	90.0°	120.0°
F	C3	C4	C5	90.0°	60.0°
F	C3	C2	H1	90.0°	180.0°
F	C3	C2	H2	90.0°	60.0°
F	C3	C4	H6	90.0°	180.0°
F	C3	C4	H7	90.0°	60.0°
C6	C	O	C5	90.0°	120.0°
C6	C	C5	C4	90.0°	180.0°
C6	C	C1	H3	90.0°	59.9°
C6	C	C1	H4	90.0°	60.0°
C6	C	C5	H8	90.0°	60.0°
C6	C	C5	H9	90.0°	60.0°
C	C6	N	H13	90.0°	0.0°
C	C6	H14	H15	90.0°	120.1°
C6	C	O	H16	90.0°	60.0°
F1	C3	C4	C5	90.0°	180.0°
F1	C3	C2	H1	90.0°	60.0°
F1	C3	C2	H2	90.0°	60.0°
F1	C3	C4	H6	90.0°	60.0°
F1	C3	C4	H7	90.0°	60.0°
C3	C4	C5	C	90.0°	60.0°
C3	C4	C5	H6	90.0°	120.0°
C3	C4	C5	H7	90.0°	120.0°
C4	C3	C2	H1	90.0°	60.0°
C4	C3	C2	H2	90.0°	180.0°
C3	C4	H6	H7	90.0°	120.0°
C3	C4	C5	H8	90.0°	180.0°
C3	C4	C5	H9	90.0°	60.0°
O	C	C5	C4	90.0°	60.0°
O	C	C1	H3	90.0°	180.0°
O	C	C1	H4	90.0°	60.0°
O	C	C5	H8	90.0°	60.0°
O	C	C5	H9	90.0°	180.0°
O	C	C6	H14	90.0°	55.0°
O	C	C6	H15	90.0°	175.0°
C	C5	C4	H8	90.0°	120.0°
C	C5	C4	H9	90.0°	120.0°
C5	C	C1	H3	90.0°	60.1°
C5	C	C1	H4	90.0°	180.0°
C	C5	C4	H6	90.0°	60.0°
C	C5	C4	H7	90.0°	180.0°
C	C5	H8	H9	90.0°	119.9°
C5	C	C6	H14	90.0°	175.0°
C5	C	C6	H15	90.0°	65.0°
C5	C	O	H16	90.0°	60.0°
C5	C4	H6	H7	90.0°	120.0°
C4	C5	H8	H9	90.0°	120.1°
H1	C2	C1	H3	90.0°	180.0°
H1	C2	C1	H4	90.0°	60.0°
H2	C2	C1	H3	90.0°	60.0°
H2	C2	C1	H4	90.0°	60.0°
H6	C4	C5	H8	90.0°	60.0°
H6	C4	C5	H9	90.0°	180.0°
H7	C4	C5	H8	90.0°	60.0°
H7	C4	C5	H9	90.0°	60.0°
H10	C15	C14	H12	90.0°	0.1°
H13	N	C6	H14	90.0°	119.9°
H13	N	C6	H15	90.0°	120.1°

Release date:	2019-03-27
Definition date:	2018-08-17
Last modified:	2019-03-22
Release status:	REL
Processing site:	RCSB