WZR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	sing	1.53Å	1.50Å
C11	C09	sing	1.51Å	1.52Å
C04	C03	doub	1.38Å	1.42Å	Aromatic
C04	C05	sing	1.38Å	1.40Å	Aromatic
C03	C02	sing	1.39Å	1.42Å	Aromatic
C12	C05	sing	1.51Å	1.61Å
C12	C13	sing	1.51Å	1.56Å
C05	C06	doub	1.39Å	1.46Å	Aromatic
C02	O01	sing	1.36Å	1.39Å
C02	C07	doub	1.39Å	1.41Å	Aromatic
C09	O10	doub	1.21Å	1.19Å
C09	N08	sing	1.35Å	1.41Å
C06	C07	sing	1.39Å	1.40Å	Aromatic
C06	N08	sing	1.40Å	1.46Å
C13	C18	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C18	C17	sing	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.43Å	Aromatic
C17	C16	doub	1.38Å	1.36Å	Aromatic
C15	C16	sing	1.38Å	1.37Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
O01	H3	sing	0.97Å	0.95Å
C03	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
N08	H7	sing	0.97Å	1.00Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C09	114.0°	109.9°
C11	C12	C05	108.8°	109.5°
C11	C12	C13	110.2°	109.5°
C12	C11	H8	108.3°	109.4°
C12	C11	H9	108.3°	109.4°
C11	C12	H10	109.5°	109.5°
C11	C09	O10	117.9°	119.6°
C11	C09	N08	122.0°	120.7°
C09	C11	H8	108.3°	109.4°
C09	C11	H9	108.3°	109.4°
C03	C04	C05	120.0°	120.1°
C04	C03	C02	120.1°	120.0°
C04	C03	H4	119.9°	120.0°
C03	C04	H5	120.0°	120.0°
C04	C05	C12	121.8°	120.1°
C04	C05	C06	119.2°	120.1°
C05	C04	H5	120.0°	119.9°
C03	C02	O01	122.4°	120.0°
C03	C02	C07	120.8°	120.0°
C02	C03	H4	120.0°	120.0°
C05	C12	C13	111.4°	109.4°
C12	C05	C06	119.0°	119.8°
C05	C12	H10	108.2°	109.5°
C12	C13	C18	116.7°	120.0°
C12	C13	C14	127.6°	120.0°
C13	C12	H10	108.8°	109.5°
C05	C06	C07	120.6°	119.9°
C05	C06	N08	120.0°	119.9°
O01	C02	C07	116.8°	120.0°
C02	O01	H3	109.5°	113.9°
C02	C07	C06	119.3°	119.9°
C02	C07	H6	120.4°	120.0°
O10	C09	N08	120.0°	119.7°
C09	N08	C06	118.6°	120.5°
C09	N08	H7	120.7°	119.7°
C07	C06	N08	119.4°	120.2°
C06	C07	H6	120.3°	120.1°
C06	N08	H7	120.7°	119.8°
C18	C13	C14	115.7°	120.0°
C13	C18	C17	121.3°	120.0°
C13	C18	H13	119.3°	120.0°
C13	C14	C15	123.7°	120.0°
C13	C14	H11	118.1°	120.0°
C18	C17	C16	122.1°	120.0°
C18	C17	H2	119.0°	120.0°
C17	C18	H13	119.3°	120.1°
C14	C15	C16	117.3°	120.0°
C14	C15	H1	121.3°	120.0°
C15	C14	H11	118.1°	120.0°
C17	C16	C15	119.7°	120.0°
C16	C17	H2	119.0°	120.0°
C17	C16	H12	120.2°	120.0°
C16	C15	H1	121.3°	120.0°
C15	C16	H12	120.1°	120.0°
H8	C11	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C09	H8	120.7°	120.1°
C12	C11	C09	H9	120.7°	120.1°
C11	C12	C05	C04	146.7°	146.1°
C11	C12	C05	C13	121.7°	120.0°
C11	C12	C05	H10	118.8°	120.0°
C11	C12	C13	H10	120.0°	120.0°
C11	C12	C05	C06	34.1°	34.0°
C12	C11	C09	O10	144.7°	144.9°
C12	C11	C09	N08	32.7°	35.2°
C11	C12	C13	C18	176.5°	120.0°
C11	C12	C13	C14	1.5°	59.7°
C12	C11	H8	H9	117.9°	119.8°
C09	C11	C12	C05	47.0°	48.6°
C09	C11	C12	C13	75.4°	71.4°
C11	C09	O10	N08	177.5°	179.9°
C11	C09	N08	C06	1.7°	0.8°
C11	C09	N08	H7	178.4°	179.2°
C09	C11	H8	H9	117.9°	119.8°
C09	C11	C12	H10	165.0°	168.6°
C03	C04	C05	H5	180.0°	179.9°
C04	C03	C02	H4	180.0°	179.9°
C03	C04	C05	C12	178.7°	180.0°
C03	C04	C05	C06	0.5°	0.1°
C04	C03	C02	O01	179.8°	180.0°
C04	C03	C02	C07	1.6°	0.2°
C05	C04	C03	C02	0.4°	0.1°
C04	C05	C12	C06	179.2°	180.0°
C04	C05	C12	C13	91.7°	93.9°
C04	C05	C06	C07	0.2°	0.3°
C04	C05	C06	N08	178.3°	180.0°
C05	C04	C03	H4	179.6°	180.0°
C04	C05	C12	H10	27.9°	26.1°
C03	C02	O01	C07	178.2°	179.8°
C03	C02	C07	C06	1.9°	0.5°
C03	C02	O01	H3	180.0°	89.7°
C02	C03	C04	H5	179.6°	180.0°
C03	C02	C07	H6	178.1°	179.8°
C05	C12	C13	H10	119.2°	120.0°
C12	C05	C06	C07	179.0°	179.7°
C12	C05	C06	N08	2.4°	0.0°
C05	C12	C13	C18	55.7°	120.0°
C05	C12	C13	C14	122.3°	60.3°
C12	C05	C04	H5	1.3°	0.1°
C05	C12	C11	H8	73.7°	168.7°
C05	C12	C11	H9	167.6°	71.5°
C13	C12	C05	C06	87.6°	86.0°
C12	C13	C18	C14	178.3°	179.7°
C12	C13	C18	C17	178.5°	179.7°
C12	C13	C14	C15	179.6°	179.7°
C13	C12	C11	H8	163.9°	48.7°
C13	C12	C11	H9	45.2°	168.6°
C12	C13	C14	H11	0.3°	0.3°
C12	C13	C18	H13	1.5°	0.3°
C05	C06	C07	C02	1.0°	0.5°
C05	C06	N08	C09	16.6°	18.5°
C05	C06	C07	N08	178.5°	179.7°
C06	C05	C04	H5	179.5°	180.0°
C05	C06	C07	H6	179.0°	179.7°
C05	C06	N08	H7	163.4°	161.5°
C06	C05	C12	H10	152.9°	154.0°
O01	C02	C07	C06	179.8°	179.7°
O01	C02	C03	H4	0.2°	0.0°
O01	C02	C07	H6	0.2°	0.0°
C02	C07	C06	H6	180.0°	179.8°
C02	C07	C06	N08	179.5°	179.7°
C07	C02	O01	H3	1.8°	90.1°
C07	C02	C03	H4	178.4°	179.8°
O10	C09	N08	C06	179.0°	179.2°
O10	C09	N08	H7	1.0°	0.7°
O10	C09	C11	H8	94.6°	24.7°
O10	C09	C11	H9	24.1°	95.1°
C09	N08	C06	C07	162.0°	161.8°
C09	N08	C06	H7	180.0°	179.9°
N08	C09	C11	H8	88.0°	155.3°
N08	C09	C11	H9	153.3°	84.9°
C07	C06	N08	H7	18.0°	18.3°
N08	C06	C07	H6	0.5°	0.0°
C13	C18	C17	H13	180.0°	179.9°
C18	C13	C14	C15	1.6°	0.0°
C13	C18	C17	C16	0.9°	0.1°
C13	C18	C17	H2	179.1°	179.9°
C18	C13	C12	H10	63.5°	0.0°
C18	C13	C14	H11	178.4°	179.9°
C14	C13	C18	C17	0.3°	0.1°
C13	C14	C15	H11	180.0°	179.9°
C13	C14	C15	C16	3.5°	0.0°
C13	C14	C15	H1	176.5°	180.0°
C14	C13	C12	H10	118.5°	179.7°
C14	C13	C18	H13	179.7°	180.0°
C18	C17	C16	H2	180.0°	179.8°
C18	C17	C16	C15	2.9°	0.1°
C18	C17	C16	H12	177.1°	179.9°
C14	C15	C16	C17	4.0°	0.1°
C14	C15	C16	H1	180.0°	180.0°
C14	C15	C16	H12	176.0°	180.0°
C17	C16	C15	H12	180.0°	180.0°
C17	C16	C15	H1	176.0°	180.0°
C16	C17	C18	H13	179.1°	179.9°
C15	C16	C17	H2	177.1°	179.9°
C16	C15	C14	H11	176.5°	179.9°
H1	C15	C14	H11	3.5°	0.0°
H1	C15	C16	H12	4.0°	0.0°
H2	C17	C16	H12	2.9°	0.1°
H2	C17	C18	H13	0.9°	0.1°
H4	C03	C04	H5	0.4°	0.0°
H8	C11	C12	H10	44.3°	71.3°
H9	C11	C12	H10	74.4°	48.5°

Release date:	2024-03-27
Definition date:	2023-10-17
Last modified:	2024-03-22
Release status:	REL
Processing site:	PDBE
Derived from:	8QUW