A1L13

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C18	N16	sing	1.47Å	1.45Å
C17	N16	sing	1.46Å	1.45Å
N16	C13	sing	1.39Å	1.45Å
C13	C14	doub	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.39Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.37Å	Aromatic
C11	C10	sing	1.40Å	1.38Å	Aromatic
C15	C10	doub	1.40Å	1.39Å	Aromatic
C10	C08	sing	1.48Å	1.37Å
C08	N07	doub	1.29Å	1.30Å	Aromatic
C08	S09	sing	1.76Å	1.74Å	Aromatic
N07	C05	sing	1.34Å	1.33Å	Aromatic
S09	C04	sing	1.76Å	1.75Å	Aromatic
C05	C04	doub	1.40Å	1.37Å	Aromatic
C05	C06	sing	1.41Å	1.41Å	Aromatic
C04	C03	sing	1.39Å	1.40Å	Aromatic
C06	C01	doub	1.36Å	1.36Å	Aromatic
C03	C02	doub	1.38Å	1.40Å	Aromatic
C01	C02	sing	1.39Å	1.39Å	Aromatic
C02	C19	sing	1.51Å	1.51Å
C01	H1	sing	1.08Å	1.08Å
C03	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C18	H11	sing	1.09Å	1.10Å
C18	H12	sing	1.09Å	1.10Å
C18	H13	sing	1.09Å	1.10Å
C19	H14	sing	1.09Å	1.10Å
C19	H15	sing	1.09Å	1.10Å
C19	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	N16	C17	120.8°	120.0°
C18	N16	C13	124.2°	120.0°
N16	C18	H11	109.5°	109.4°
N16	C18	H12	109.5°	109.4°
N16	C18	H13	109.5°	109.5°
C17	N16	C13	115.0°	120.0°
N16	C17	H8	109.5°	109.5°
N16	C17	H9	109.5°	109.5°
N16	C17	H10	109.5°	109.5°
N16	C13	C14	124.6°	119.9°
N16	C13	C12	114.3°	119.9°
C14	C13	C12	121.1°	120.1°
C13	C14	C15	119.1°	120.0°
C13	C14	H6	120.4°	120.0°
C13	C12	C11	119.8°	120.1°
C13	C12	H5	120.1°	119.9°
C14	C15	C10	118.9°	120.0°
C15	C14	H6	120.5°	120.0°
C14	C15	H7	120.5°	120.0°
C12	C11	C10	119.9°	119.9°
C12	C11	H4	120.1°	120.1°
C11	C12	H5	120.1°	120.0°
C11	C10	C15	121.2°	119.9°
C11	C10	C08	113.1°	120.0°
C10	C11	H4	120.0°	120.0°
C15	C10	C08	125.6°	120.1°
C10	C15	H7	120.5°	120.1°
C10	C08	N07	119.8°	124.8°
C10	C08	S09	132.8°	124.8°
N07	C08	S09	107.4°	110.3°
C08	N07	C05	117.5°	117.9°
C08	S09	C04	94.0°	90.4°
N07	C05	C04	116.8°	112.9°
N07	C05	C06	119.9°	128.8°
S09	C04	C05	104.4°	108.4°
S09	C04	C03	137.3°	131.3°
C04	C05	C06	123.2°	118.3°
C05	C04	C03	118.3°	120.3°
C05	C06	C01	118.5°	120.5°
C05	C06	H3	120.7°	119.7°
C04	C03	C02	118.1°	120.1°
C04	C03	H2	120.9°	120.0°
C06	C01	C02	119.2°	120.8°
C06	C01	H1	120.4°	119.5°
C01	C06	H3	120.8°	119.7°
C03	C02	C01	122.7°	120.0°
C03	C02	C19	119.4°	120.0°
C02	C03	H2	120.9°	120.0°
C01	C02	C19	117.9°	120.0°
C02	C01	H1	120.4°	119.7°
C02	C19	H14	109.5°	109.5°
C02	C19	H15	109.5°	109.4°
C02	C19	H16	109.5°	109.5°
H8	C17	H9	109.5°	109.5°
H8	C17	H10	109.5°	109.4°
H9	C17	H10	109.5°	109.5°
H11	C18	H12	109.5°	109.5°
H11	C18	H13	109.5°	109.5°
H12	C18	H13	109.5°	109.5°
H14	C19	H15	109.5°	109.6°
H14	C19	H16	109.5°	109.5°
H15	C19	H16	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	N16	C17	C13	179.9°	180.0°
C18	N16	C13	C14	17.3°	174.3°
C18	N16	C13	C12	160.2°	5.5°
C18	N16	C17	H8	180.0°	90.0°
C18	N16	C17	H9	60.0°	30.0°
C18	N16	C17	H10	60.0°	150.1°
N16	C18	H11	H12	120.0°	119.9°
N16	C18	H11	H13	120.0°	120.0°
N16	C18	H12	H13	120.0°	120.0°
C17	N16	C13	C14	162.6°	5.7°
C17	N16	C13	C12	20.0°	174.5°
N16	C17	H8	H9	120.0°	120.0°
N16	C17	H8	H10	120.0°	120.0°
N16	C17	H9	H10	120.0°	120.1°
C17	N16	C18	H11	180.0°	174.9°
C17	N16	C18	H12	60.0°	55.0°
C17	N16	C18	H13	60.0°	65.0°
N16	C13	C14	C12	177.3°	179.8°
N16	C13	C14	C15	178.6°	180.0°
N16	C13	C12	C11	178.8°	179.8°
N16	C13	C12	H5	1.2°	0.3°
N16	C13	C14	H6	1.4°	0.2°
C13	N16	C17	H8	0.1°	90.0°
C13	N16	C17	H9	119.9°	150.0°
C13	N16	C17	H10	120.2°	30.0°
C13	N16	C18	H11	0.2°	5.1°
C13	N16	C18	H12	120.2°	125.1°
C13	N16	C18	H13	119.8°	114.9°
C13	C14	C15	H6	180.0°	179.8°
C14	C13	C12	C11	1.2°	0.0°
C13	C14	C15	C10	1.3°	0.5°
C14	C13	C12	H5	178.8°	180.0°
C13	C14	C15	H7	178.7°	180.0°
C12	C13	C14	C15	1.3°	0.2°
C13	C12	C11	H5	180.0°	180.0°
C13	C12	C11	C10	1.2°	0.0°
C13	C12	C11	H4	178.8°	180.0°
C12	C13	C14	H6	178.7°	180.0°
C14	C15	C10	C11	1.3°	0.5°
C14	C15	C10	H7	180.0°	179.5°
C14	C15	C10	C08	178.4°	179.7°
C12	C11	C10	H4	180.0°	180.0°
C12	C11	C10	C15	1.3°	0.2°
C12	C11	C10	C08	178.7°	180.0°
C11	C10	C15	C08	177.1°	179.8°
C11	C10	C08	N07	179.9°	0.1°
C11	C10	C08	S09	2.8°	180.0°
C10	C11	C12	H5	178.8°	180.0°
C11	C10	C15	H7	178.7°	180.0°
C15	C10	C08	N07	2.8°	179.7°
C15	C10	C08	S09	179.9°	0.2°
C15	C10	C11	H4	178.7°	179.8°
C10	C15	C14	H6	178.7°	179.7°
C10	C08	N07	S09	177.8°	179.9°
C10	C08	N07	C05	178.8°	180.0°
C10	C08	S09	C04	178.3°	180.0°
C08	C10	C11	H4	1.3°	0.0°
C08	C10	C15	H7	1.6°	0.2°
N07	C08	S09	C04	1.0°	0.1°
C08	N07	C05	C04	0.6°	0.0°
C08	N07	C05	C06	179.2°	179.7°
S09	C08	N07	C05	1.1°	0.1°
C08	S09	C04	C05	0.7°	0.0°
C08	S09	C04	C03	179.6°	180.0°
N07	C05	C04	S09	0.2°	0.0°
N07	C05	C04	C06	179.9°	179.7°
N07	C05	C04	C03	180.0°	180.0°
N07	C05	C06	C01	179.8°	179.8°
N07	C05	C06	H3	0.2°	0.3°
S09	C04	C05	C03	179.8°	179.9°
S09	C04	C05	C06	180.0°	179.7°
S09	C04	C03	C02	179.5°	180.0°
S09	C04	C03	H2	0.6°	0.1°
C04	C05	C06	C01	0.4°	0.6°
C05	C04	C03	C02	0.2°	0.0°
C05	C04	C03	H2	179.7°	180.0°
C04	C05	C06	H3	179.6°	180.0°
C06	C05	C04	C03	0.2°	0.3°
C05	C06	C01	H3	180.0°	179.4°
C05	C06	C01	C02	0.2°	0.5°
C05	C06	C01	H1	179.9°	179.7°
C04	C03	C02	H2	180.0°	180.0°
C04	C03	C02	C01	0.4°	0.0°
C04	C03	C02	C19	179.9°	180.0°
C06	C01	C02	C03	0.2°	0.2°
C06	C01	C02	H1	180.0°	179.8°
C06	C01	C02	C19	179.9°	179.7°
C03	C02	C01	C19	179.7°	180.0°
C03	C02	C01	H1	179.7°	180.0°
C03	C02	C19	H14	90.2°	90.0°
C03	C02	C19	H15	149.8°	30.0°
C03	C02	C19	H16	29.9°	150.0°
C01	C02	C03	H2	179.5°	180.0°
C02	C01	C06	H3	179.8°	180.0°
C01	C02	C19	H14	90.1°	89.9°
C01	C02	C19	H15	29.9°	150.0°
C01	C02	C19	H16	149.8°	30.0°
C19	C02	C01	H1	0.1°	0.0°
C19	C02	C03	H2	0.2°	0.0°
C02	C19	H14	H15	120.0°	120.0°
C02	C19	H14	H16	120.0°	120.0°
C02	C19	H15	H16	120.0°	120.0°
H1	C01	C06	H3	0.1°	0.3°
H4	C11	C12	H5	1.3°	0.1°
H6	C14	C15	H7	1.3°	0.3°
H8	C17	H9	H10	120.0°	119.9°
H11	C18	H12	H13	120.0°	120.1°
H14	C19	H15	H16	120.0°	120.0°

Release date:	2024-09-11
Definition date:	2024-05-27
Last modified:	2024-09-06
Release status:	REL
Processing site:	PDBJ
Derived from:	8ZLI