GWC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C08	sing	1.74Å	1.77Å
N07	C08	doub	1.31Å	1.32Å	Aromatic
N07	C04	sing	1.34Å	1.35Å	Aromatic
C08	N09	sing	1.33Å	1.34Å	Aromatic
C03	C04	doub	1.40Å	1.42Å	Aromatic
C03	C02	sing	1.36Å	1.39Å	Aromatic
C04	C05	sing	1.42Å	1.39Å	Aromatic
N09	C10	doub	1.33Å	1.32Å	Aromatic
C02	C01	doub	1.39Å	1.39Å	Aromatic
C05	C10	sing	1.42Å	1.44Å	Aromatic
C05	C06	doub	1.40Å	1.43Å	Aromatic
C10	N11	sing	1.38Å	1.45Å
C12	N11	sing	1.47Å	1.45Å
C01	C06	sing	1.37Å	1.40Å	Aromatic
N11	C13	sing	1.40Å	1.46Å
C06	F22	sing	1.35Å	1.35Å
C14	C13	doub	1.39Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C13	C18	sing	1.39Å	1.41Å	Aromatic
C15	C16	doub	1.39Å	1.40Å	Aromatic
C18	C17	doub	1.38Å	1.40Å	Aromatic
C16	C17	sing	1.39Å	1.40Å	Aromatic
C16	O19	sing	1.36Å	1.42Å
O19	C20	sing	1.43Å	1.39Å
C12	H1	sing	1.09Å	1.10Å
C12	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.08Å	1.08Å
C02	H5	sing	1.08Å	1.08Å
C03	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C08	N07	117.4°	118.5°
CL1	C08	N09	119.1°	118.5°
C08	N07	C04	117.8°	120.4°
N07	C08	N09	123.5°	123.0°
N07	C04	C03	117.7°	121.9°
N07	C04	C05	121.0°	118.7°
C08	N09	C10	123.2°	121.4°
C04	C03	C02	120.8°	119.6°
C03	C04	C05	121.3°	119.4°
C04	C03	H6	119.6°	120.2°
C03	C02	C01	118.7°	121.0°
C03	C02	H5	120.6°	119.5°
C02	C03	H6	119.6°	120.1°
C04	C05	C10	119.3°	118.2°
C04	C05	C06	117.1°	119.6°
N09	C10	C05	115.2°	118.3°
N09	C10	N11	116.4°	120.9°
C02	C01	C06	120.9°	120.9°
C02	C01	H4	119.6°	119.6°
C01	C02	H5	120.6°	119.4°
C10	C05	C06	123.5°	122.1°
C05	C10	N11	128.4°	120.9°
C05	C06	C01	121.1°	119.4°
C05	C06	F22	121.3°	120.3°
C10	N11	C12	113.9°	120.0°
C10	N11	C13	117.1°	120.0°
C12	N11	C13	115.8°	120.0°
N11	C12	H1	109.5°	109.5°
N11	C12	H2	109.5°	109.5°
N11	C12	H3	109.4°	109.5°
C01	C06	F22	117.6°	120.3°
C06	C01	H4	119.5°	119.5°
N11	C13	C14	117.2°	120.0°
N11	C13	C18	123.0°	120.1°
C13	C14	C15	120.4°	120.0°
C14	C13	C18	119.6°	120.0°
C13	C14	H7	119.8°	120.0°
C14	C15	C16	120.7°	120.0°
C15	C14	H7	119.8°	120.0°
C14	C15	H8	119.6°	120.0°
C13	C18	C17	120.0°	120.0°
C13	C18	H10	120.0°	120.0°
C15	C16	C17	119.3°	120.0°
C15	C16	O19	117.1°	120.0°
C16	C15	H8	119.7°	120.0°
C18	C17	C16	120.0°	120.0°
C18	C17	H9	120.0°	119.9°
C17	C18	H10	120.0°	120.0°
C17	C16	O19	123.6°	120.0°
C16	C17	H9	120.0°	120.0°
C16	O19	C20	114.6°	117.0°
O19	C20	H11	109.5°	109.5°
O19	C20	H12	109.5°	109.5°
O19	C20	H13	109.5°	109.5°
H1	C12	H2	109.5°	109.4°
H1	C12	H3	109.5°	109.5°
H2	C12	H3	109.4°	109.5°
H11	C20	H12	109.5°	109.4°
H11	C20	H13	109.5°	109.5°
H12	C20	H13	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C08	N07	N09	179.2°	180.0°
CL1	C08	N07	C04	179.8°	180.0°
CL1	C08	N09	C10	179.9°	180.0°
C08	N07	C04	C03	179.7°	180.0°
C08	N07	C04	C05	0.6°	0.0°
N07	C08	N09	C10	1.0°	0.0°
C04	N07	C08	N09	0.6°	0.0°
N07	C04	C03	C05	179.2°	180.0°
N07	C04	C03	C02	179.7°	180.0°
N07	C04	C05	C10	0.8°	0.0°
N07	C04	C05	C06	178.9°	179.9°
N07	C04	C03	H6	0.2°	0.0°
C08	N09	C10	C05	1.1°	0.0°
C08	N09	C10	N11	178.2°	180.0°
C04	C03	C02	H6	180.0°	180.0°
C04	C03	C02	C01	0.6°	0.0°
C03	C04	C05	C10	180.0°	180.0°
C03	C04	C05	C06	0.3°	0.1°
C04	C03	C02	H5	179.4°	180.0°
C02	C03	C04	C05	0.6°	0.0°
C03	C02	C01	H5	180.0°	180.0°
C03	C02	C01	C06	0.1°	0.0°
C03	C02	C01	H4	179.9°	179.7°
C04	C05	C10	N09	1.1°	0.0°
C04	C05	C10	C06	179.7°	179.9°
C04	C05	C10	N11	178.2°	180.0°
C04	C05	C06	C01	1.0°	0.1°
C04	C05	C06	F22	179.0°	179.7°
C05	C04	C03	H6	179.4°	180.0°
N09	C10	C05	N11	179.3°	179.9°
N09	C10	C05	C06	178.6°	179.9°
N09	C10	N11	C12	9.4°	86.3°
N09	C10	N11	C13	130.2°	93.7°
C02	C01	C06	C05	1.0°	0.0°
C02	C01	C06	H4	180.0°	179.7°
C02	C01	C06	F22	179.0°	179.7°
C01	C02	C03	H6	179.4°	180.0°
C05	C10	N11	C12	171.3°	93.8°
C10	C05	C06	C01	179.3°	180.0°
C05	C10	N11	C13	49.1°	86.2°
C10	C05	C06	F22	0.7°	0.4°
C06	C05	C10	N11	2.1°	0.1°
C05	C06	C01	F22	180.0°	179.7°
C05	C06	C01	H4	179.0°	179.7°
C10	N11	C12	C13	140.1°	180.0°
C10	N11	C13	C14	26.8°	6.3°
C10	N11	C13	C18	149.3°	174.0°
C10	N11	C12	H1	180.0°	86.0°
C10	N11	C12	H2	60.0°	154.0°
C10	N11	C12	H3	60.0°	33.9°
C12	N11	C13	C14	112.0°	173.7°
C12	N11	C13	C18	71.8°	6.0°
N11	C12	H1	H2	120.0°	120.0°
N11	C12	H1	H3	120.0°	120.0°
N11	C12	H2	H3	120.0°	120.0°
C06	C01	C02	H5	179.9°	180.0°
N11	C13	C14	C18	176.3°	179.7°
N11	C13	C14	C15	177.5°	179.7°
N11	C13	C18	C17	177.0°	179.7°
C13	N11	C12	H1	39.9°	94.0°
C13	N11	C12	H2	80.1°	26.0°
C13	N11	C12	H3	159.9°	146.1°
N11	C13	C14	H7	2.5°	0.3°
N11	C13	C18	H10	3.0°	0.3°
F22	C06	C01	H4	1.0°	0.0°
C13	C14	C15	H7	180.0°	180.0°
C13	C14	C15	C16	0.3°	0.0°
C14	C13	C18	C17	0.9°	0.0°
C13	C14	C15	H8	179.7°	180.0°
C14	C13	C18	H10	179.1°	180.0°
C15	C14	C13	C18	1.2°	0.0°
C14	C15	C16	H8	180.0°	180.0°
C14	C15	C16	C17	0.8°	0.0°
C14	C15	C16	O19	179.8°	180.0°
C13	C18	C17	H10	180.0°	180.0°
C13	C18	C17	C16	0.3°	0.0°
C18	C13	C14	H7	178.8°	180.0°
C13	C18	C17	H9	179.8°	179.9°
C15	C16	C17	C18	1.1°	0.0°
C15	C16	C17	O19	179.4°	180.0°
C15	C16	O19	C20	175.2°	180.0°
C16	C15	C14	H7	179.6°	180.0°
C15	C16	C17	H9	178.9°	179.9°
C18	C17	C16	H9	180.0°	179.9°
C18	C17	C16	O19	179.5°	180.0°
C17	C16	O19	C20	5.4°	0.0°
C17	C16	C15	H8	179.2°	180.0°
C16	C17	C18	H10	179.8°	180.0°
O19	C16	C15	H8	0.3°	0.0°
O19	C16	C17	H9	0.5°	0.1°
C16	O19	C20	H11	180.0°	180.0°
C16	O19	C20	H12	60.0°	60.0°
C16	O19	C20	H13	60.0°	60.0°
O19	C20	H11	H12	120.0°	120.0°
O19	C20	H11	H13	120.0°	120.0°
O19	C20	H12	H13	120.0°	120.0°
H1	C12	H2	H3	120.0°	120.0°
H4	C01	C02	H5	0.1°	0.3°
H5	C02	C03	H6	0.7°	0.0°
H7	C14	C15	H8	0.3°	0.0°
H9	C17	C18	H10	0.2°	0.1°
H11	C20	H12	H13	120.0°	120.0°

Release date:	2023-05-17
Definition date:	2022-05-18
Last modified:	2023-05-12
Release status:	REL
Processing site:	PDBJ
Derived from:	7XR0