A1IK1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C05	C06	doub	1.35Å	1.39Å	Aromatic
C05	C04	sing	1.40Å	1.39Å	Aromatic
C06	N07	sing	1.36Å	1.32Å	Aromatic
C04	N03	sing	1.40Å	1.40Å
C04	N14	doub	1.31Å	1.31Å	Aromatic
N03	C02	sing	1.35Å	1.36Å
N07	N14	sing	1.40Å	1.42Å	Aromatic
N07	C08	sing	1.40Å	1.43Å
C09	C08	doub	1.39Å	1.38Å	Aromatic
C09	C10	sing	1.38Å	1.38Å	Aromatic
C02	O01	doub	1.22Å	1.23Å
C02	N15	sing	1.35Å	1.34Å
C08	C13	sing	1.39Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
N15	C16	sing	1.47Å	1.46Å
C17	C16	sing	1.53Å	1.51Å
C17	C18	sing	1.53Å	1.51Å
C13	C12	doub	1.38Å	1.38Å	Aromatic
C16	C26	sing	1.51Å	1.51Å
C18	O19	sing	1.43Å	1.43Å
C11	C12	sing	1.38Å	1.38Å	Aromatic
C26	C25	sing	1.39Å	1.41Å	Aromatic
C26	C20	doub	1.38Å	1.39Å	Aromatic
O19	C20	sing	1.36Å	1.37Å
C25	C24	doub	1.38Å	1.40Å	Aromatic
C20	C21	sing	1.39Å	1.42Å	Aromatic
C24	C23	sing	1.38Å	1.41Å	Aromatic
C21	C23	doub	1.38Å	1.39Å	Aromatic
C21	CL22	sing	1.74Å	1.78Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C24	H5	sing	1.08Å	1.08Å
C05	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.09Å	1.10Å
C18	H12	sing	1.09Å	1.10Å
C18	H13	sing	1.09Å	1.10Å
C23	H14	sing	1.08Å	1.08Å
C25	H15	sing	1.08Å	1.08Å
N03	H16	sing	0.97Å	1.00Å
N15	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C05	C04	107.3°	107.9°
C05	C06	N07	107.1°	107.7°
C06	C05	H6	126.3°	126.0°
C05	C06	H7	126.5°	126.1°
C05	C04	N03	127.0°	125.9°
C05	C04	N14	109.2°	108.2°
C04	C05	H6	126.3°	126.1°
C06	N07	N14	109.8°	107.9°
C06	N07	C08	127.0°	126.0°
N07	C06	H7	126.5°	126.1°
N03	C04	N14	123.8°	125.9°
C04	N03	C02	127.3°	120.0°
C04	N03	H16	116.4°	120.0°
C04	N14	N07	106.6°	108.2°
N03	C02	O01	122.7°	120.0°
N03	C02	N15	114.8°	120.0°
C02	N03	H16	116.3°	120.0°
N14	N07	C08	123.3°	126.0°
N07	C08	C09	120.8°	120.1°
N07	C08	C13	118.8°	120.1°
C08	C09	C10	119.7°	120.0°
C09	C08	C13	120.4°	119.8°
C08	C09	H8	120.2°	120.0°
C09	C10	C11	120.1°	120.0°
C09	C10	H1	119.9°	120.0°
C10	C09	H8	120.2°	120.0°
O01	C02	N15	122.5°	120.0°
C02	N15	C16	121.2°	120.0°
C02	N15	H17	119.4°	120.0°
C08	C13	C12	119.9°	119.9°
C08	C13	H2	120.1°	120.0°
C10	C11	C12	120.1°	120.1°
C11	C10	H1	120.0°	120.0°
C10	C11	H9	120.0°	119.9°
N15	C16	C17	109.2°	109.4°
N15	C16	C26	108.0°	109.5°
N15	C16	H11	109.0°	109.4°
C16	N15	H17	119.4°	120.0°
C16	C17	C18	113.4°	108.3°
C17	C16	C26	114.1°	109.7°
C16	C17	H3	108.5°	109.7°
C16	C17	H4	108.5°	109.7°
C17	C16	H11	108.2°	109.4°
C17	C18	O19	113.3°	108.4°
C18	C17	H3	108.5°	109.7°
C18	C17	H4	108.5°	109.7°
C17	C18	H12	108.5°	109.7°
C17	C18	H13	108.5°	109.7°
C13	C12	C11	119.9°	120.1°
C12	C13	H2	120.1°	120.1°
C13	C12	H10	120.0°	119.9°
C16	C26	C25	119.4°	118.7°
C16	C26	C20	120.2°	121.4°
C26	C16	H11	108.2°	109.4°
C18	O19	C20	111.4°	117.8°
O19	C18	H12	108.5°	109.7°
O19	C18	H13	108.5°	109.6°
C12	C11	H9	120.0°	120.0°
C11	C12	H10	120.0°	120.0°
C25	C26	C20	120.4°	119.8°
C26	C25	C24	120.2°	120.3°
C26	C25	H15	119.9°	119.8°
C26	C20	O19	121.0°	121.8°
C26	C20	C21	119.3°	119.7°
O19	C20	C21	119.8°	118.4°
C25	C24	C23	119.7°	120.0°
C25	C24	H5	120.2°	120.0°
C24	C25	H15	119.9°	119.9°
C20	C21	C23	120.4°	120.2°
C20	C21	CL22	120.4°	119.9°
C24	C23	C21	120.0°	120.0°
C23	C24	H5	120.2°	120.0°
C24	C23	H14	120.0°	120.0°
C23	C21	CL22	119.1°	119.9°
C21	C23	H14	120.0°	120.0°
H3	C17	H4	109.5°	109.7°
H12	C18	H13	109.4°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C05	C04	H6	180.0°	180.0°
C05	C06	N07	H7	180.0°	179.9°
C06	C05	C04	N03	179.9°	180.0°
C06	C05	C04	N14	0.1°	0.2°
C05	C06	N07	N14	0.3°	0.2°
C05	C06	N07	C08	179.7°	180.0°
C04	C05	C06	N07	0.2°	0.0°
C05	C04	N03	N14	179.8°	179.7°
C05	C04	N03	C02	145.2°	0.3°
C05	C04	N14	N07	0.1°	0.3°
C04	C05	C06	H7	179.8°	179.9°
C05	C04	N03	H16	34.8°	179.7°
C06	N07	N14	C04	0.3°	0.3°
C06	N07	N14	C08	179.5°	179.8°
C06	N07	C08	C09	37.5°	0.8°
C06	N07	C08	C13	143.5°	180.0°
N07	C06	C05	H6	179.7°	180.0°
C04	N03	C02	H16	180.0°	180.0°
N03	C04	N14	N07	179.7°	179.9°
C04	N03	C02	O01	179.9°	0.1°
C04	N03	C02	N15	0.6°	180.0°
N03	C04	C05	H6	0.1°	0.1°
N14	C04	N03	C02	34.6°	180.0°
C04	N14	N07	C08	179.7°	179.9°
N14	C04	C05	H6	179.9°	179.8°
N14	C04	N03	H16	145.4°	0.0°
N03	C02	O01	N15	179.4°	179.9°
N03	C02	N15	C16	179.5°	180.0°
N03	C02	N15	H17	0.5°	0.0°
N14	N07	C08	C09	143.1°	179.4°
N14	N07	C08	C13	35.8°	0.2°
N14	N07	C06	H7	179.7°	179.7°
N07	C08	C09	C13	178.9°	179.2°
N07	C08	C09	C10	179.6°	179.7°
N07	C08	C13	C12	179.5°	180.0°
N07	C08	C13	H2	0.5°	0.5°
C08	N07	C06	H7	0.3°	0.1°
N07	C08	C09	H8	0.5°	0.2°
C08	C09	C10	H8	180.0°	179.9°
C08	C09	C10	C11	0.4°	0.0°
C09	C08	C13	C12	0.6°	0.8°
C08	C09	C10	H1	179.6°	179.7°
C09	C08	C13	H2	179.4°	179.7°
C10	C09	C08	C13	0.7°	0.5°
C09	C10	C11	H1	180.0°	179.8°
C09	C10	C11	C12	0.0°	0.2°
C09	C10	C11	H9	180.0°	179.7°
O01	C02	N15	C16	1.0°	0.1°
O01	C02	N03	H16	0.1°	180.0°
O01	C02	N15	H17	179.0°	179.9°
C02	N15	C16	H17	180.0°	180.0°
C02	N15	C16	C17	96.1°	155.0°
C02	N15	C16	C26	139.2°	84.8°
C02	N15	C16	H11	21.9°	35.2°
N15	C02	N03	H16	179.4°	0.0°
C08	C13	C12	H2	180.0°	179.5°
C08	C13	C12	C11	0.2°	0.5°
C13	C08	C09	H8	179.4°	179.4°
C08	C13	C12	H10	179.8°	180.0°
C10	C11	C12	C13	0.0°	0.0°
C10	C11	C12	H9	180.0°	179.9°
C11	C10	C09	H8	179.7°	179.9°
C10	C11	C12	H10	179.9°	179.5°
N15	C16	C17	C26	121.0°	120.1°
N15	C16	C17	H11	118.5°	119.9°
N15	C16	C17	C18	114.2°	168.3°
N15	C16	C26	H11	117.8°	119.9°
N15	C16	C26	C25	42.5°	42.2°
N15	C16	C26	C20	137.1°	138.0°
N15	C16	C17	H3	125.2°	72.1°
N15	C16	C17	H4	6.4°	48.5°
C16	C17	C18	H3	120.6°	119.7°
C16	C17	C18	H4	120.6°	119.7°
C17	C16	C26	H11	120.5°	120.0°
C16	C17	C18	O19	44.4°	64.7°
C17	C16	C26	C25	164.2°	162.3°
C17	C16	C26	C20	15.5°	18.0°
C16	C17	H3	H4	118.2°	120.5°
C16	C17	C18	H12	164.9°	55.1°
C16	C17	C18	H13	76.2°	175.6°
C17	C16	N15	H17	83.9°	25.0°
C18	C17	C16	C26	6.8°	48.2°
C17	C18	O19	H12	120.6°	119.7°
C17	C18	O19	H13	120.6°	119.7°
C17	C18	O19	C20	60.8°	49.3°
C18	C17	H3	H4	118.2°	120.6°
C18	C17	C16	H11	127.3°	71.8°
C17	C18	H12	H13	118.3°	120.6°
C13	C12	C11	H10	180.0°	179.5°
C13	C12	C11	H9	180.0°	179.9°
C16	C26	C25	C20	179.6°	179.7°
C16	C26	C20	O19	0.1°	0.8°
C16	C26	C25	C24	179.7°	179.5°
C16	C26	C20	C21	179.8°	179.5°
C26	C16	C17	H3	113.8°	167.9°
C26	C16	C17	H4	127.4°	71.6°
C16	C26	C25	H15	0.3°	0.5°
C26	C16	N15	H17	40.8°	95.2°
C18	O19	C20	C26	38.2°	17.5°
C18	O19	C20	C21	141.6°	162.8°
O19	C18	C17	H3	76.2°	175.7°
O19	C18	C17	H4	165.0°	55.1°
O19	C18	H12	H13	118.3°	120.5°
C12	C11	C10	H1	180.0°	180.0°
C11	C12	C13	H2	179.8°	180.0°
C25	C26	C20	O19	179.7°	179.4°
C26	C25	C24	H15	180.0°	180.0°
C25	C26	C20	C21	0.2°	0.2°
C26	C25	C24	C23	0.0°	0.0°
C26	C25	C24	H5	180.0°	180.0°
C25	C26	C16	H11	75.3°	77.7°
C26	C20	O19	C21	179.8°	179.7°
C20	C26	C25	C24	0.1°	0.2°
C26	C20	C21	C23	0.1°	0.1°
C26	C20	C21	CL22	179.7°	179.8°
C20	C26	C16	H11	105.1°	102.0°
C20	C26	C25	H15	179.9°	179.8°
O19	C20	C21	C23	179.7°	179.5°
O19	C20	C21	CL22	0.4°	0.5°
C20	O19	C18	H12	178.6°	70.4°
C20	O19	C18	H13	59.8°	169.0°
C25	C24	C23	H5	180.0°	180.0°
C25	C24	C23	C21	0.1°	0.1°
C25	C24	C23	H14	179.9°	179.9°
C20	C21	C23	C24	0.0°	0.0°
C20	C21	C23	CL22	179.8°	179.9°
C20	C21	C23	H14	180.0°	179.9°
C24	C23	C21	H14	180.0°	180.0°
C24	C23	C21	CL22	179.9°	180.0°
C23	C24	C25	H15	180.0°	180.0°
C21	C23	C24	H5	179.9°	179.9°
CL22	C21	C23	H14	0.1°	0.0°
H1	C10	C09	H8	0.3°	0.3°
H1	C10	C11	H9	0.0°	0.1°
H2	C13	C12	H10	0.2°	0.5°
H3	C17	C16	H11	6.7°	47.8°
H3	C17	C18	H12	44.3°	64.6°
H3	C17	C18	H13	163.2°	56.0°
H4	C17	C16	H11	112.1°	168.4°
H4	C17	C18	H12	74.5°	174.8°
H4	C17	C18	H13	44.4°	64.6°
H5	C24	C23	H14	0.1°	0.1°
H5	C24	C25	H15	0.0°	0.0°
H6	C05	C06	H7	0.2°	0.1°
H9	C11	C12	H10	0.1°	0.6°
H11	C16	N15	H17	158.1°	144.9°

Release date:	2025-04-16
Definition date:	2024-08-14
Last modified:	2025-04-11
Release status:	REL
Processing site:	PDBE
Derived from:	9GGB