W0Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	O2	sing	1.43Å	1.44Å
O2	C11	sing	1.36Å	1.38Å
N3	C10	sing	1.40Å	1.36Å
C11	C10	doub	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
C10	C9	sing	1.39Å	1.40Å	Aromatic
F1	C12	sing	1.35Å	1.35Å
C12	C7	doub	1.40Å	1.40Å	Aromatic
C9	F2	sing	1.35Å	1.35Å
C9	C8	doub	1.38Å	1.37Å	Aromatic
O3	C3	doub	1.21Å	1.22Å
C7	C8	sing	1.40Å	1.38Å	Aromatic
C7	C6	sing	1.47Å	1.49Å
C3	N1	sing	1.34Å	1.38Å
C3	C2	sing	1.51Å	1.51Å
N2	C6	sing	1.35Å	1.32Å
N2	C2	sing	1.47Å	1.45Å
N1	C4	sing	1.34Å	1.38Å
C6	O1	doub	1.22Å	1.23Å
C4	O4	doub	1.21Å	1.23Å
C4	C5	sing	1.51Å	1.49Å
C2	C1	sing	1.53Å	1.52Å
C1	C5	sing	1.54Å	1.54Å
N1	H4	sing	0.97Å	1.00Å
C5	H6	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
N2	H7	sing	0.97Å	1.00Å
C8	H8	sing	1.08Å	1.08Å
N3	H9	sing	0.97Å	1.00Å
N3	H10	sing	0.97Å	1.00Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C13	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	O2	C11	118.1°	117.0°
O2	C13	H12	109.5°	109.4°
O2	C13	H13	109.5°	109.5°
O2	C13	H11	109.5°	109.5°
O2	C11	C10	115.3°	120.0°
O2	C11	C12	126.1°	120.0°
N3	C10	C11	120.4°	120.0°
N3	C10	C9	120.5°	119.9°
C10	N3	H9	109.5°	120.0°
C10	N3	H10	109.4°	119.9°
C10	C11	C12	118.6°	120.0°
C11	C10	C9	119.1°	120.1°
C11	C12	F1	119.5°	120.1°
C11	C12	C7	120.8°	119.8°
C10	C9	F2	120.5°	119.9°
C10	C9	C8	122.0°	120.2°
F1	C12	C7	119.5°	120.1°
C12	C7	C8	120.0°	119.9°
C12	C7	C6	122.3°	120.0°
F2	C9	C8	117.5°	119.9°
C9	C8	C7	119.4°	120.0°
C9	C8	H8	120.3°	120.0°
O3	C3	N1	121.5°	119.4°
O3	C3	C2	120.6°	119.4°
C8	C7	C6	117.8°	120.1°
C7	C8	H8	120.3°	120.0°
C7	C6	N2	115.3°	120.0°
C7	C6	O1	123.3°	120.0°
N1	C3	C2	117.8°	121.2°
C3	N1	C4	128.4°	122.6°
C3	N1	H4	115.8°	118.7°
C3	C2	N2	111.3°	109.5°
C3	C2	C1	112.2°	109.2°
C3	C2	H3	108.7°	109.5°
C6	N2	C2	123.3°	120.0°
N2	C6	O1	121.0°	120.0°
C6	N2	H7	118.3°	120.0°
N2	C2	C1	106.6°	109.5°
N2	C2	H3	109.4°	109.5°
C2	N2	H7	118.4°	119.9°
N1	C4	O4	121.8°	119.4°
N1	C4	C5	114.0°	121.3°
C4	N1	H4	115.8°	118.7°
O4	C4	C5	122.1°	119.3°
C4	C5	C1	115.5°	109.0°
C4	C5	H6	107.9°	109.9°
C4	C5	H5	108.0°	109.4°
C2	C1	C5	109.5°	108.4°
C2	C1	H2	109.4°	109.7°
C2	C1	H1	109.4°	109.9°
C1	C2	H3	108.6°	109.6°
C1	C5	H6	108.0°	109.5°
C1	C5	H5	108.0°	109.6°
C5	C1	H2	109.5°	109.6°
C5	C1	H1	109.4°	109.6°
H6	C5	H5	109.5°	109.6°
H2	C1	H1	109.5°	109.6°
H9	N3	H10	109.5°	120.0°
H12	C13	H13	109.5°	109.5°
H12	C13	H11	109.5°	109.5°
H13	C13	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	O2	C11	C10	127.7°	90.0°
C13	O2	C11	C12	54.2°	90.0°
O2	C13	H12	H13	120.0°	120.0°
O2	C13	H12	H11	120.0°	120.0°
O2	C13	H13	H11	120.0°	120.0°
O2	C11	C10	N3	0.7°	0.3°
O2	C11	C10	C12	178.3°	180.0°
O2	C11	C10	C9	179.3°	179.7°
O2	C11	C12	F1	3.0°	0.0°
O2	C11	C12	C7	179.1°	180.0°
C11	O2	C13	H12	180.0°	60.1°
C11	O2	C13	H13	60.0°	59.9°
C11	O2	C13	H11	60.0°	180.0°
N3	C10	C11	C9	178.6°	180.0°
N3	C10	C11	C12	179.0°	179.7°
N3	C10	C9	F2	0.5°	0.0°
N3	C10	C9	C8	179.4°	179.5°
C10	N3	H9	H10	120.0°	180.0°
C10	C11	C12	F1	178.9°	180.0°
C10	C11	C12	C7	2.8°	0.0°
C11	C10	C9	F2	178.1°	180.0°
C11	C10	C9	C8	2.1°	0.6°
C11	C10	N3	H9	180.0°	180.0°
C11	C10	N3	H10	60.0°	0.0°
C12	C11	C10	C9	2.4°	0.3°
C11	C12	F1	C7	176.2°	180.0°
C11	C12	C7	C8	2.7°	0.0°
C11	C12	C7	C6	177.1°	179.7°
C10	C9	F2	C8	179.9°	179.5°
C10	C9	C8	C7	2.0°	0.6°
C10	C9	C8	H8	178.0°	179.5°
C9	C10	N3	H9	1.4°	0.0°
C9	C10	N3	H10	121.5°	180.0°
F1	C12	C7	C8	178.8°	180.0°
F1	C12	C7	C6	0.9°	0.3°
C12	C7	C8	C9	2.3°	0.3°
C12	C7	C8	C6	179.8°	179.7°
C12	C7	C6	N2	1.3°	179.7°
C12	C7	C6	O1	174.0°	0.3°
C12	C7	C8	H8	177.7°	179.8°
F2	C9	C8	C7	178.2°	180.0°
F2	C9	C8	H8	1.8°	0.0°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	C6	177.5°	180.0°
O3	C3	N1	C2	176.0°	180.0°
O3	C3	C2	N2	36.9°	31.0°
O3	C3	N1	C4	179.1°	179.5°
O3	C3	C2	C1	156.3°	150.9°
O3	C3	N1	H4	0.9°	0.3°
O3	C3	C2	H3	83.7°	89.1°
C8	C7	C6	N2	178.9°	0.0°
C8	C7	C6	O1	6.2°	180.0°
C7	C6	N2	O1	172.9°	180.0°
C7	C6	N2	C2	162.4°	180.0°
C7	C6	N2	H7	17.6°	0.1°
C6	C7	C8	H8	2.5°	0.0°
N1	C3	C2	N2	147.1°	149.0°
C3	N1	C4	H4	180.0°	179.7°
C3	N1	C4	O4	170.0°	179.2°
C3	N1	C4	C5	5.8°	0.8°
N1	C3	C2	C1	27.7°	29.1°
N1	C3	C2	H3	92.4°	90.9°
C3	C2	N2	C6	115.9°	84.9°
C3	C2	N2	C1	122.7°	119.7°
C3	C2	N2	H3	120.1°	120.1°
C2	C3	N1	C4	4.9°	0.6°
C3	C2	C1	H3	120.1°	120.0°
C3	C2	C1	C5	49.3°	55.8°
C2	C3	N1	H4	175.1°	179.7°
C3	C2	C1	H2	169.3°	63.9°
C3	C2	C1	H1	70.7°	175.6°
C3	C2	N2	H7	64.0°	95.0°
C6	N2	C2	H7	180.0°	180.0°
C6	N2	C2	C1	121.4°	155.3°
C6	N2	C2	H3	4.2°	35.2°
C2	N2	C6	O1	10.5°	0.0°
N2	C2	C1	H3	117.8°	120.1°
N2	C2	C1	C5	171.4°	175.7°
N2	C2	C1	H2	68.6°	56.0°
N2	C2	C1	H1	51.4°	64.5°
N1	C4	O4	C5	162.9°	180.0°
N1	C4	C5	C1	30.1°	29.5°
N1	C4	C5	H6	151.0°	90.5°
N1	C4	C5	H5	90.8°	149.3°
O1	C6	N2	H7	169.5°	180.0°
O4	C4	C5	C1	165.8°	150.5°
O4	C4	N1	H4	10.0°	0.5°
O4	C4	C5	H6	44.9°	89.5°
O4	C4	C5	H5	73.3°	30.8°
C4	C5	C1	C2	52.3°	55.9°
C4	C5	C1	H6	120.9°	120.2°
C4	C5	C1	H5	120.9°	119.7°
C5	C4	N1	H4	174.2°	179.4°
C4	C5	H6	H5	117.3°	120.2°
C4	C5	C1	H2	172.3°	63.8°
C4	C5	C1	H1	67.7°	175.9°
C2	C1	C5	H2	120.0°	119.7°
C2	C1	C5	H1	120.0°	119.9°
C2	C1	C5	H6	173.1°	64.3°
C2	C1	C5	H5	68.6°	175.6°
C2	C1	H2	H1	120.0°	120.7°
C1	C2	N2	H7	58.6°	24.7°
C1	C5	H6	H5	117.3°	120.2°
C5	C1	H2	H1	120.0°	120.3°
C5	C1	C2	H3	70.8°	64.2°
H6	C5	C1	H2	66.9°	176.0°
H6	C5	C1	H1	53.1°	55.7°
H5	C5	C1	H2	51.4°	55.8°
H5	C5	C1	H1	171.4°	64.5°
H2	C1	C2	H3	49.2°	176.2°
H1	C1	C2	H3	169.2°	55.6°
H3	C2	N2	H7	175.8°	144.9°
H12	C13	H13	H11	120.0°	120.1°

Release date:	2023-11-15
Definition date:	2023-04-24
Last modified:	2023-11-10
Release status:	REL
Processing site:	PDBE
Derived from:	8OUA