Z4I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	N14	sing	1.46Å	1.45Å
C15	C16	sing	1.51Å	1.56Å
N14	C13	sing	1.38Å	1.49Å
C16	C17	doub	1.38Å	1.38Å	Aromatic
C16	C21	sing	1.38Å	1.42Å	Aromatic
C13	N10	doub	1.33Å	1.33Å	Aromatic
C13	N12	sing	1.33Å	1.34Å	Aromatic
C17	C18	sing	1.38Å	1.40Å	Aromatic
C21	C20	doub	1.38Å	1.39Å	Aromatic
N10	C09	sing	1.32Å	1.32Å	Aromatic
N12	C11	doub	1.32Å	1.35Å	Aromatic
C18	C19	doub	1.38Å	1.41Å	Aromatic
C20	C19	sing	1.38Å	1.39Å	Aromatic
C09	C08	doub	1.40Å	1.39Å	Aromatic
C11	C08	sing	1.40Å	1.40Å	Aromatic
C08	C07	sing	1.48Å	1.55Å
C07	N06	sing	1.35Å	1.44Å
C07	O22	doub	1.22Å	1.20Å
N06	N05	sing	1.40Å	1.43Å
N05	C04	sing	1.35Å	1.43Å
C02	C04	sing	1.51Å	1.52Å
C02	F03	sing	1.40Å	1.36Å
C02	F01	sing	1.40Å	1.35Å
C04	O23	doub	1.21Å	1.18Å
C15	H1	sing	1.09Å	1.10Å
C15	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C21	H5	sing	1.08Å	1.08Å
C02	H6	sing	1.09Å	1.10Å
C09	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
N05	H11	sing	0.97Å	1.00Å
N06	H12	sing	0.97Å	1.00Å
N14	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N14	C15	C16	111.7°	109.4°
C15	N14	C13	118.4°	120.0°
N14	C15	H1	108.9°	109.5°
N14	C15	H2	108.9°	109.5°
C15	N14	H13	107.2°	120.0°
C15	C16	C17	120.4°	120.0°
C15	C16	C21	120.0°	120.0°
C16	C15	H1	108.9°	109.4°
C16	C15	H2	108.9°	109.4°
N14	C13	N10	115.5°	119.0°
N14	C13	N12	121.8°	119.0°
C13	N14	H13	107.2°	120.0°
C17	C16	C21	119.6°	120.0°
C16	C17	C18	120.3°	120.0°
C16	C17	H3	119.9°	120.0°
C16	C21	C20	120.4°	120.0°
C16	C21	H5	119.8°	120.0°
N10	C13	N12	122.7°	121.9°
C13	N10	C09	121.6°	120.9°
C13	N12	C11	119.9°	120.9°
C17	C18	C19	120.0°	120.0°
C18	C17	H3	119.8°	120.0°
C17	C18	H9	120.0°	120.0°
C21	C20	C19	119.9°	120.0°
C21	C20	H4	120.0°	120.0°
C20	C21	H5	119.8°	120.0°
N10	C09	C08	117.2°	119.0°
N10	C09	H7	121.4°	120.4°
N12	C11	C08	117.3°	119.0°
N12	C11	H8	121.3°	120.5°
C18	C19	C20	119.8°	120.0°
C19	C18	H9	120.0°	120.0°
C18	C19	H10	120.1°	120.0°
C19	C20	H4	120.0°	120.0°
C20	C19	H10	120.1°	120.0°
C09	C08	C11	121.4°	118.3°
C09	C08	C07	117.7°	120.9°
C08	C09	H7	121.4°	120.5°
C11	C08	C07	120.9°	120.8°
C08	C11	H8	121.3°	120.5°
C08	C07	N06	116.8°	120.0°
C08	C07	O22	122.2°	120.0°
N06	C07	O22	121.0°	120.0°
C07	N06	N05	121.2°	120.0°
C07	N06	H12	119.4°	120.0°
N06	N05	C04	118.1°	120.0°
N06	N05	H11	120.9°	120.0°
N05	N06	H12	119.4°	120.1°
N05	C04	C02	119.1°	120.0°
N05	C04	O23	119.9°	120.0°
C04	N05	H11	120.9°	120.0°
C04	C02	F03	106.2°	109.4°
C04	C02	F01	107.4°	109.5°
C02	C04	O23	121.0°	120.0°
C04	C02	H6	109.8°	109.5°
F03	C02	F01	108.2°	109.5°
F03	C02	H6	112.4°	109.5°
F01	C02	H6	112.5°	109.5°
H1	C15	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N14	C15	C16	H1	120.3°	119.9°
N14	C15	C16	H2	120.3°	120.1°
C15	N14	C13	H13	121.3°	179.9°
N14	C15	C16	C17	131.5°	90.0°
N14	C15	C16	C21	48.2°	90.0°
C15	N14	C13	N10	15.8°	180.0°
C15	N14	C13	N12	163.5°	0.0°
N14	C15	H1	H2	119.0°	120.1°
C16	C15	N14	C13	63.4°	180.0°
C15	C16	C17	C21	179.8°	180.0°
C15	C16	C17	C18	179.9°	180.0°
C15	C16	C21	C20	179.9°	179.5°
C16	C15	H1	H2	119.0°	120.0°
C15	C16	C17	H3	0.1°	0.3°
C15	C16	C21	H5	0.1°	0.4°
C16	C15	N14	H13	175.3°	0.1°
N14	C13	N10	N12	179.3°	180.0°
N14	C13	N10	C09	180.0°	180.0°
N14	C13	N12	C11	179.2°	179.9°
C13	N14	C15	H1	176.2°	60.1°
C13	N14	C15	H2	56.9°	60.0°
C16	C17	C18	H3	180.0°	179.7°
C17	C16	C21	C20	0.1°	0.6°
C16	C17	C18	C19	0.3°	0.3°
C17	C16	C15	H1	108.1°	150.1°
C17	C16	C15	H2	11.2°	30.0°
C17	C16	C21	H5	179.9°	179.7°
C16	C17	C18	H9	179.7°	179.7°
C21	C16	C17	C18	0.3°	0.0°
C16	C21	C20	H5	180.0°	179.1°
C16	C21	C20	C19	0.1°	0.9°
C21	C16	C15	H1	72.1°	30.0°
C21	C16	C15	H2	168.6°	150.0°
C21	C16	C17	H3	179.7°	179.7°
C16	C21	C20	H4	179.9°	179.7°
N10	C13	N12	C11	0.1°	0.0°
C13	N10	C09	C08	0.9°	0.1°
C13	N10	C09	H7	179.1°	180.0°
N10	C13	N14	H13	105.5°	0.1°
N12	C13	N10	C09	0.7°	0.0°
C13	N12	C11	C08	0.5°	0.0°
C13	N12	C11	H8	179.5°	180.0°
N12	C13	N14	H13	75.2°	180.0°
C17	C18	C19	H9	180.0°	180.0°
C17	C18	C19	C20	0.1°	NaN°
C17	C18	C19	H10	179.9°	179.4°
C21	C20	C19	C18	0.2°	0.6°
C21	C20	C19	H4	180.0°	179.4°
C21	C20	C19	H10	179.9°	180.0°
N10	C09	C08	H7	180.0°	179.9°
N10	C09	C08	C11	0.4°	0.0°
N10	C09	C08	C07	178.9°	180.0°
N12	C11	C08	C09	0.3°	0.0°
N12	C11	C08	H8	180.0°	180.0°
N12	C11	C08	C07	179.6°	180.0°
C18	C19	C20	H10	180.0°	179.4°
C19	C18	C17	H3	179.7°	180.0°
C18	C19	C20	H4	179.9°	180.0°
C19	C20	C21	H5	179.8°	180.0°
C20	C19	C18	H9	179.9°	180.0°
C09	C08	C11	C07	179.3°	180.0°
C09	C08	C07	N06	145.1°	180.0°
C09	C08	C07	O22	35.8°	0.0°
C09	C08	C11	H8	179.7°	180.0°
C11	C08	C07	N06	35.6°	0.0°
C11	C08	C07	O22	143.5°	180.0°
C11	C08	C09	H7	179.6°	180.0°
C08	C07	N06	O22	179.1°	179.9°
C08	C07	N06	N05	179.8°	179.9°
C07	C08	C09	H7	1.1°	0.0°
C07	C08	C11	H8	0.4°	0.0°
C08	C07	N06	H12	0.2°	0.0°
C07	N06	N05	H12	180.0°	179.9°
C07	N06	N05	C04	107.4°	180.0°
C07	N06	N05	H11	72.6°	0.1°
O22	C07	N06	N05	1.1°	0.0°
O22	C07	N06	H12	178.9°	180.0°
N06	N05	C04	H11	180.0°	179.9°
N06	N05	C04	C02	2.2°	180.0°
N06	N05	C04	O23	177.5°	0.0°
N05	C04	C02	O23	179.8°	180.0°
N05	C04	C02	F03	128.2°	55.0°
N05	C04	C02	F01	116.2°	175.0°
N05	C04	C02	H6	6.4°	65.0°
C04	N05	N06	H12	72.6°	0.1°
C04	C02	F03	F01	115.1°	120.0°
C04	C02	F03	H6	120.1°	120.0°
C04	C02	F01	H6	120.9°	120.0°
C02	C04	N05	H11	177.8°	0.0°
F03	C02	F01	H6	124.8°	120.0°
F03	C02	C04	O23	51.5°	125.0°
F01	C02	C04	O23	64.1°	5.0°
O23	C04	C02	H6	173.3°	115.0°
O23	C04	N05	H11	2.4°	180.0°
H1	C15	N14	H13	55.0°	120.0°
H2	C15	N14	H13	64.4°	119.9°
H3	C17	C18	H9	0.3°	0.0°
H4	C20	C21	H5	0.1°	0.6°
H4	C20	C19	H10	0.1°	0.6°
H9	C18	C19	H10	0.1°	0.6°
H11	N05	N06	H12	107.4°	180.0°

Release date:	2023-10-04
Definition date:	2023-03-06
Last modified:	2023-09-29
Release status:	REL
Processing site:	RCSB
Derived from:	8GD4