GXI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C08	sing	1.74Å	1.76Å
N07	C08	doub	1.31Å	1.32Å	Aromatic
N07	C04	sing	1.34Å	1.35Å	Aromatic
C08	N09	sing	1.32Å	1.34Å	Aromatic
N09	C10	doub	1.33Å	1.33Å	Aromatic
C04	C03	doub	1.40Å	1.44Å	Aromatic
C04	C05	sing	1.42Å	1.38Å	Aromatic
C03	C02	sing	1.37Å	1.39Å	Aromatic
C10	C05	sing	1.42Å	1.40Å	Aromatic
C10	N11	sing	1.38Å	1.45Å
C05	C06	doub	1.40Å	1.41Å	Aromatic
C02	F22	sing	1.35Å	1.34Å
C02	C01	doub	1.39Å	1.40Å	Aromatic
C12	N11	sing	1.47Å	1.47Å
N11	C13	sing	1.40Å	1.48Å
C06	C01	sing	1.36Å	1.39Å	Aromatic
C14	C13	doub	1.39Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.41Å	Aromatic
C13	C18	sing	1.39Å	1.39Å	Aromatic
C15	C16	doub	1.39Å	1.41Å	Aromatic
C18	C17	doub	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.39Å	1.40Å	Aromatic
C16	O19	sing	1.36Å	1.40Å
C20	O19	sing	1.43Å	1.38Å
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
C03	H5	sing	1.08Å	1.08Å
C06	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	115.1°	118.5°
CL1	C08	N09	120.4°	118.5°
C08	N07	C04	118.3°	120.4°
N07	C08	N09	124.5°	122.9°
N07	C04	C03	119.4°	121.9°
N07	C04	C05	120.2°	118.7°
C08	N09	C10	119.3°	121.5°
N09	C10	C05	119.1°	118.2°
N09	C10	N11	117.8°	120.9°
C03	C04	C05	120.5°	119.3°
C04	C03	C02	119.0°	119.6°
C04	C03	H5	120.5°	120.3°
C04	C05	C10	118.6°	118.2°
C04	C05	C06	119.0°	119.7°
C03	C02	F22	119.5°	119.5°
C03	C02	C01	121.0°	120.9°
C02	C03	H5	120.5°	120.2°
C05	C10	N11	123.1°	120.9°
C10	C05	C06	122.4°	122.0°
C10	N11	C12	118.8°	120.0°
C10	N11	C13	121.5°	120.0°
C05	C06	C01	121.1°	119.5°
C05	C06	H6	119.4°	120.2°
F22	C02	C01	119.5°	119.5°
C02	C01	C06	119.4°	120.9°
C02	C01	H4	120.3°	119.6°
C12	N11	C13	115.6°	120.0°
N11	C12	H1	109.5°	109.4°
N11	C12	H2	109.4°	109.4°
N11	C12	H3	109.5°	109.4°
N11	C13	C14	124.7°	120.0°
N11	C13	C18	116.3°	120.0°
C06	C01	H4	120.3°	119.5°
C01	C06	H6	119.4°	120.3°
C13	C14	C15	119.7°	119.9°
C14	C13	C18	119.0°	120.0°
C13	C14	H7	120.2°	120.1°
C14	C15	C16	119.8°	120.0°
C15	C14	H7	120.1°	120.0°
C14	C15	H8	120.1°	120.0°
C13	C18	C17	122.7°	120.0°
C13	C18	H10	118.7°	120.1°
C15	C16	C17	120.7°	120.1°
C15	C16	O19	120.1°	120.0°
C16	C15	H8	120.1°	120.0°
C18	C17	C16	118.1°	120.0°
C18	C17	H9	121.0°	120.0°
C17	C18	H10	118.6°	119.9°
C17	C16	O19	119.2°	119.9°
C16	C17	H9	120.9°	120.1°
C16	O19	C20	115.3°	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°	109.6°
H1	C12	H3	109.4°	109.4°
H2	C12	H3	109.5°	109.5°
H11	C20	H12	109.4°	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	179.7°	180.0°
CL1	C08	N07	C04	179.8°	180.0°
CL1	C08	N09	C10	179.5°	180.0°
N07	C08	N09	C10	0.2°	0.0°
C08	N07	C04	C03	179.5°	179.9°
C08	N07	C04	C05	0.0°	0.0°
C04	N07	C08	N09	0.1°	0.0°
N07	C04	C03	C05	179.5°	179.9°
N07	C04	C03	C02	179.8°	180.0°
N07	C04	C05	C10	0.4°	0.1°
N07	C04	C05	C06	178.6°	179.8°
N07	C04	C03	H5	0.2°	0.1°
C08	N09	C10	C05	0.6°	0.0°
C08	N09	C10	N11	179.2°	180.0°
N09	C10	C05	C04	0.7°	0.1°
N09	C10	C05	N11	179.9°	180.0°
N09	C10	C05	C06	178.3°	179.8°
N09	C10	N11	C12	15.9°	85.6°
N09	C10	N11	C13	140.3°	94.4°
C04	C03	C02	H5	180.0°	179.9°
C03	C04	C05	C10	180.0°	180.0°
C03	C04	C05	C06	0.9°	0.3°
C04	C03	C02	F22	179.4°	180.0°
C04	C03	C02	C01	0.7°	0.1°
C05	C04	C03	C02	0.3°	0.1°
C04	C05	C10	C06	179.0°	179.7°
C04	C05	C10	N11	179.1°	179.9°
C04	C05	C06	C01	1.8°	0.5°
C05	C04	C03	H5	179.7°	180.0°
C04	C05	C06	H6	178.2°	180.0°
C03	C02	F22	C01	179.9°	179.9°
C03	C02	C01	C06	0.2°	0.3°
C03	C02	C01	H4	179.8°	180.0°
C05	C10	N11	C12	164.2°	94.4°
C05	C10	N11	C13	39.6°	85.6°
C10	C05	C06	C01	179.2°	179.8°
C10	C05	C06	H6	0.8°	0.3°
N11	C10	C05	C06	1.9°	0.2°
C10	N11	C12	C13	157.5°	180.0°
C10	N11	C13	C14	32.7°	6.1°
C10	N11	C13	C18	147.2°	174.2°
C10	N11	C12	H1	180.0°	85.8°
C10	N11	C12	H2	60.0°	154.1°
C10	N11	C12	H3	60.0°	34.1°
C05	C06	C01	C02	1.4°	0.5°
C05	C06	C01	H6	180.0°	179.5°
C05	C06	C01	H4	178.6°	179.8°
F22	C02	C01	C06	179.7°	179.8°
F22	C02	C01	H4	0.3°	0.1°
F22	C02	C03	H5	0.5°	0.1°
C02	C01	C06	H4	180.0°	179.7°
C01	C02	C03	H5	179.4°	180.0°
C02	C01	C06	H6	178.6°	180.0°
C12	N11	C13	C14	124.2°	173.9°
C12	N11	C13	C18	55.9°	5.8°
N11	C12	H1	H2	120.0°	120.0°
N11	C12	H1	H3	120.0°	119.9°
N11	C12	H2	H3	120.0°	120.0°
N11	C13	C14	C18	179.9°	179.7°
N11	C13	C14	C15	178.5°	179.7°
N11	C13	C18	C17	179.7°	179.8°
C13	N11	C12	H1	22.5°	94.2°
C13	N11	C12	H2	97.6°	25.9°
C13	N11	C12	H3	142.4°	145.9°
N11	C13	C14	H7	1.5°	0.3°
N11	C13	C18	H10	0.3°	0.3°
C13	C14	C15	H7	180.0°	180.0°
C13	C14	C15	C16	2.0°	0.0°
C14	C13	C18	C17	0.2°	0.0°
C13	C14	C15	H8	178.0°	180.0°
C14	C13	C18	H10	179.8°	180.0°
C15	C14	C13	C18	1.4°	0.0°
C14	C15	C16	H8	180.0°	180.0°
C14	C15	C16	C17	1.5°	0.0°
C14	C15	C16	O19	178.5°	180.0°
C13	C18	C17	H10	180.0°	180.0°
C13	C18	C17	C16	0.3°	0.1°
C18	C13	C14	H7	178.6°	180.0°
C13	C18	C17	H9	179.6°	180.0°
C15	C16	C17	C18	0.3°	0.1°
C15	C16	C17	O19	180.0°	179.9°
C15	C16	O19	C20	22.0°	180.0°
C16	C15	C14	H7	178.0°	180.0°
C15	C16	C17	H9	179.8°	180.0°
C18	C17	C16	H9	180.0°	179.9°
C18	C17	C16	O19	179.7°	180.0°
C17	C16	O19	C20	158.0°	0.0°
C17	C16	C15	H8	178.6°	179.9°
C16	C17	C18	H10	179.6°	179.9°
O19	C16	C15	H8	1.4°	0.0°
O19	C16	C17	H9	0.3°	0.0°
C16	O19	C20	H11	180.0°	60.0°
C16	O19	C20	H12	60.0°	60.0°
C16	O19	C20	H13	60.0°	180.0°
O19	C20	H11	H12	120.0°	120.0°
O19	C20	H11	H13	120.0°	120.0°
O19	C20	H12	H13	120.0°	120.1°
H1	C12	H2	H3	120.0°	120.1°
H4	C01	C06	H6	1.5°	0.2°
H7	C14	C15	H8	2.0°	0.0°
H9	C17	C18	H10	0.4°	0.0°
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:	7XQX