A1D9D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O08	C07	doub	1.22Å	1.24Å
N09	C07	sing	1.35Å	1.38Å
N09	N10	sing	1.37Å	1.44Å
C07	C06	sing	1.48Å	1.57Å
C15	N10	sing	1.47Å	1.53Å
C15	C14	sing	1.53Å	1.52Å
C01	C02	sing	1.51Å	1.48Å
N10	C11	sing	1.47Å	1.53Å
C11	C12	sing	1.53Å	1.51Å
C06	C02	sing	1.41Å	1.47Å	Aromatic
C06	N05	doub	1.32Å	1.36Å	Aromatic
C14	C13	sing	1.53Å	1.54Å
C02	C03	doub	1.37Å	1.44Å	Aromatic
C13	C12	sing	1.53Å	1.53Å
N05	N04	sing	1.28Å	1.39Å	Aromatic
C03	N04	sing	1.37Å	1.45Å	Aromatic
C03	C24	sing	1.48Å	1.55Å
N04	C16	sing	1.40Å	1.49Å
C25	C24	doub	1.40Å	1.43Å	Aromatic
C25	C26	sing	1.38Å	1.43Å	Aromatic
C24	C29	sing	1.40Å	1.43Å	Aromatic
C26	C27	doub	1.38Å	1.38Å	Aromatic
C16	C21	doub	1.39Å	1.43Å	Aromatic
C16	C17	sing	1.39Å	1.41Å	Aromatic
C29	C28	doub	1.38Å	1.43Å	Aromatic
CL23	C17	sing	1.74Å	1.81Å
C21	C20	sing	1.38Å	1.41Å	Aromatic
C27	C28	sing	1.38Å	1.38Å	Aromatic
C27	I30	sing	2.10Å	2.18Å
C17	C18	doub	1.38Å	1.40Å	Aromatic
C20	C19	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.38Å	1.40Å	Aromatic
C19	CL22	sing	1.74Å	1.81Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
N09	H4	sing	0.97Å	1.00Å
C11	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C18	H15	sing	1.08Å	1.08Å
C20	H16	sing	1.08Å	1.08Å
C21	H17	sing	1.08Å	1.08Å
C25	H18	sing	1.08Å	1.08Å
C26	H19	sing	1.08Å	1.08Å
C28	H20	sing	1.08Å	1.08Å
C29	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O08	C07	N09	116.1°	120.0°
O08	C07	C06	121.4°	120.0°
C07	N09	N10	122.6°	120.0°
N09	C07	C06	122.5°	120.0°
C07	N09	H4	118.7°	120.0°
N09	N10	C15	106.6°	111.0°
N09	N10	C11	108.8°	111.0°
N10	N09	H4	118.7°	120.0°
C07	C06	C02	128.8°	126.3°
C07	C06	N05	123.7°	126.3°
N10	C15	C14	109.0°	109.5°
C15	N10	C11	105.6°	111.2°
N10	C15	H13	109.6°	109.5°
N10	C15	H14	109.6°	109.5°
C15	C14	C13	116.2°	109.3°
C15	C14	H11	107.8°	109.5°
C15	C14	H12	107.8°	109.5°
C14	C15	H13	109.6°	109.4°
C14	C15	H14	109.6°	109.5°
C01	C02	C06	127.0°	127.3°
C01	C02	C03	124.9°	127.2°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.4°	109.5°
C02	C01	H3	109.5°	109.5°
N10	C11	C12	108.8°	109.5°
N10	C11	H5	109.6°	109.4°
N10	C11	H6	109.7°	109.5°
C11	C12	C13	114.7°	109.3°
C12	C11	H5	109.7°	109.5°
C12	C11	H6	109.6°	109.4°
C11	C12	H7	108.1°	109.5°
C11	C12	H8	108.1°	109.5°
C02	C06	N05	107.5°	107.4°
C06	C02	C03	108.1°	105.5°
C06	N05	N04	110.0°	110.4°
C14	C13	C12	114.5°	109.1°
C14	C13	H9	108.2°	109.5°
C14	C13	H10	108.2°	109.6°
C13	C14	H11	107.8°	109.5°
C13	C14	H12	107.8°	109.5°
C02	C03	N04	104.2°	106.8°
C02	C03	C24	130.2°	126.7°
C13	C12	H7	108.1°	109.6°
C13	C12	H8	108.2°	109.6°
C12	C13	H9	108.2°	109.5°
C12	C13	H10	108.2°	109.5°
N05	N04	C03	110.2°	110.0°
N05	N04	C16	121.8°	125.0°
N04	C03	C24	125.6°	126.6°
C03	N04	C16	128.0°	125.0°
C03	C24	C25	123.0°	120.1°
C03	C24	C29	122.5°	120.1°
N04	C16	C21	120.0°	120.0°
N04	C16	C17	124.1°	120.1°
C24	C25	C26	123.3°	119.9°
C25	C24	C29	114.5°	119.7°
C24	C25	H18	118.3°	120.0°
C25	C26	C27	118.1°	120.1°
C26	C25	H18	118.3°	120.1°
C25	C26	H19	121.0°	119.9°
C24	C29	C28	123.4°	119.9°
C24	C29	H21	118.3°	120.1°
C26	C27	C28	122.8°	120.3°
C26	C27	I30	118.6°	119.9°
C27	C26	H19	121.0°	119.9°
C21	C16	C17	115.8°	119.9°
C16	C21	C20	122.7°	120.0°
C16	C21	H17	118.7°	120.1°
C16	C17	CL23	117.7°	120.1°
C16	C17	C18	123.4°	119.9°
C29	C28	C27	117.9°	120.1°
C29	C28	H20	121.0°	120.0°
C28	C29	H21	118.3°	120.1°
CL23	C17	C18	119.0°	120.0°
C21	C20	C19	117.5°	120.1°
C21	C20	H16	121.3°	120.0°
C20	C21	H17	118.6°	120.0°
C28	C27	I30	118.6°	119.9°
C27	C28	H20	121.1°	119.9°
C17	C18	C19	117.6°	120.0°
C17	C18	H15	121.2°	120.0°
C20	C19	C18	123.0°	120.1°
C20	C19	CL22	118.7°	120.0°
C19	C20	H16	121.2°	119.9°
C18	C19	CL22	118.3°	119.9°
C19	C18	H15	121.2°	120.0°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.4°	109.4°
H5	C11	H6	109.5°	109.5°
H7	C12	H8	109.5°	109.5°
H9	C13	H10	109.5°	109.5°
H11	C14	H12	109.4°	109.5°
H13	C15	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O08	C07	N09	C06	178.9°	180.0°
O08	C07	N09	N10	179.5°	0.0°
O08	C07	C06	C02	4.7°	0.0°
O08	C07	C06	N05	174.9°	179.8°
O08	C07	N09	H4	0.5°	180.0°
C07	N09	N10	H4	180.0°	180.0°
C07	N09	N10	C15	157.6°	115.8°
C07	N09	N10	C11	89.0°	120.0°
N09	C07	C06	C02	176.4°	180.0°
N09	C07	C06	N05	4.0°	0.2°
N10	N09	C07	C06	0.6°	180.0°
N09	N10	C15	C11	115.6°	124.1°
N09	N10	C15	C14	177.3°	174.2°
N09	N10	C11	C12	176.2°	174.2°
N09	N10	C11	H5	56.3°	54.2°
N09	N10	C11	H6	63.9°	65.8°
N09	N10	C15	H13	62.7°	65.8°
N09	N10	C15	H14	57.4°	54.2°
C07	C06	C02	C01	0.5°	0.1°
C07	C06	C02	N05	179.6°	179.8°
C07	C06	C02	C03	180.0°	179.8°
C07	C06	N05	N04	179.5°	179.8°
C06	C07	N09	H4	179.4°	0.0°
N10	C15	C14	H13	119.9°	120.0°
N10	C15	C14	H14	119.9°	120.0°
C15	N10	C11	C12	69.6°	61.7°
N10	C15	C14	C13	49.5°	59.2°
C15	N10	N09	H4	22.4°	64.2°
C15	N10	C11	H5	170.5°	178.3°
C15	N10	C11	H6	50.2°	58.3°
N10	C15	C14	H11	170.5°	60.8°
N10	C15	C14	H12	71.5°	179.1°
N10	C15	H13	H14	120.2°	120.0°
C14	C15	N10	C11	67.0°	61.7°
C15	C14	C13	H11	121.0°	120.0°
C15	C14	C13	H12	121.0°	120.0°
C15	C14	C13	C12	32.3°	57.7°
C15	C14	C13	H9	88.5°	177.6°
C15	C14	C13	H10	153.0°	62.3°
C15	C14	H11	H12	117.0°	120.1°
C14	C15	H13	H14	120.2°	120.0°
C01	C02	C06	C03	179.4°	179.7°
C01	C02	C06	N05	179.8°	179.9°
C01	C02	C03	N04	179.8°	180.0°
C01	C02	C03	C24	1.1°	0.1°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.1°
C02	C01	H2	H3	120.0°	120.0°
N10	C11	C12	H5	119.9°	120.0°
N10	C11	C12	H6	119.9°	120.0°
N10	C11	C12	C13	53.5°	59.2°
C11	N10	N09	H4	91.0°	60.0°
N10	C11	H5	H6	120.3°	120.0°
N10	C11	C12	H7	67.3°	60.8°
N10	C11	C12	H8	174.3°	179.2°
C11	N10	C15	H13	52.9°	58.3°
C11	N10	C15	H14	173.0°	178.2°
C11	C12	C13	C14	34.1°	57.7°
C11	C12	C13	H7	120.8°	119.9°
C11	C12	C13	H8	120.7°	119.9°
C12	C11	H5	H6	120.3°	120.0°
C11	C12	H7	H8	117.6°	120.0°
C11	C12	C13	H9	86.6°	177.5°
C11	C12	C13	H10	154.9°	62.3°
C02	C06	N05	N04	0.2°	0.4°
C06	C02	C03	N04	0.7°	0.3°
C06	C02	C03	C24	179.4°	179.8°
C06	C02	C01	H1	90.3°	90.3°
C06	C02	C01	H2	149.6°	29.7°
C06	C02	C01	H3	29.7°	149.7°
N05	C06	C02	C03	0.4°	0.4°
C06	N05	N04	C03	0.6°	0.3°
C06	N05	N04	C16	179.6°	179.7°
C14	C13	C12	H9	120.7°	119.9°
C14	C13	C12	H10	120.7°	120.0°
C14	C13	C12	H7	86.7°	62.3°
C14	C13	C12	H8	154.9°	177.6°
C14	C13	H9	H10	117.7°	120.2°
C13	C14	H11	H12	116.9°	120.1°
C13	C14	C15	H13	70.4°	60.8°
C13	C14	C15	H14	169.4°	179.2°
C02	C03	N04	N05	0.8°	0.0°
C02	C03	N04	C24	178.8°	179.9°
C02	C03	N04	C16	179.7°	180.0°
C02	C03	C24	C25	43.4°	53.5°
C02	C03	C24	C29	135.5°	126.2°
C03	C02	C01	H1	90.3°	90.0°
C03	C02	C01	H2	29.7°	150.0°
C03	C02	C01	H3	149.7°	30.0°
C13	C12	C11	H5	173.4°	179.2°
C13	C12	C11	H6	66.4°	60.8°
C13	C12	H7	H8	117.6°	120.2°
C12	C13	H9	H10	117.7°	120.1°
C12	C13	C14	H11	153.2°	62.3°
C12	C13	C14	H12	88.7°	177.6°
N05	N04	C03	C16	178.8°	180.0°
N05	N04	C03	C24	179.6°	179.9°
N05	N04	C16	C21	61.8°	131.0°
N05	N04	C16	C17	114.4°	48.6°
N04	C03	C24	C25	138.1°	126.5°
N04	C03	C24	C29	42.9°	53.9°
C03	N04	C16	C21	119.5°	48.9°
C03	N04	C16	C17	64.4°	131.4°
C24	C03	N04	C16	1.5°	0.0°
C03	C24	C25	C29	179.0°	179.7°
C03	C24	C25	C26	179.2°	180.0°
C03	C24	C29	C28	179.5°	179.8°
C03	C24	C25	H18	0.8°	0.1°
C03	C24	C29	H21	0.5°	0.0°
N04	C16	C21	C17	176.5°	179.6°
N04	C16	C17	CL23	2.9°	0.1°
N04	C16	C21	C20	178.4°	179.8°
N04	C16	C17	C18	178.2°	180.0°
N04	C16	C21	H17	1.7°	0.1°
C24	C25	C26	H18	180.0°	180.0°
C24	C25	C26	C27	0.1°	0.0°
C25	C24	C29	C28	0.5°	0.5°
C24	C25	C26	H19	179.9°	179.9°
C25	C24	C29	H21	179.5°	179.7°
C26	C25	C24	C29	0.2°	0.3°
C25	C26	C27	H19	180.0°	179.9°
C25	C26	C27	C28	0.2°	0.0°
C25	C26	C27	I30	179.7°	180.0°
C24	C29	C28	H21	180.0°	179.8°
C24	C29	C28	C27	0.5°	0.5°
C29	C24	C25	H18	179.8°	179.7°
C24	C29	C28	H20	179.5°	179.7°
C26	C27	C28	C29	0.1°	0.3°
C26	C27	C28	I30	180.0°	180.0°
C27	C26	C25	H18	179.8°	180.0°
C26	C27	C28	H20	179.9°	180.0°
C21	C16	C17	CL23	179.2°	179.7°
C16	C21	C20	H17	180.0°	179.7°
C21	C16	C17	C18	1.9°	0.3°
C16	C21	C20	C19	1.1°	0.5°
C16	C21	C20	H16	179.0°	179.7°
C16	C17	CL23	C18	179.0°	179.9°
C17	C16	C21	C20	1.9°	0.6°
C16	C17	C18	C19	1.0°	0.0°
C16	C17	C18	H15	179.0°	179.9°
C17	C16	C21	H17	178.2°	179.7°
C29	C28	C27	H20	180.0°	179.8°
C29	C28	C27	I30	180.0°	179.8°
CL23	C17	C18	C19	179.9°	179.9°
CL23	C17	C18	H15	0.1°	0.0°
C21	C20	C19	H16	180.0°	179.7°
C21	C20	C19	C18	0.1°	0.2°
C21	C20	C19	CL22	179.4°	179.7°
C28	C27	C26	H19	179.8°	180.0°
C27	C28	C29	H21	179.6°	179.7°
I30	C27	C26	H19	0.3°	0.0°
I30	C27	C28	H20	0.1°	0.0°
C17	C18	C19	C20	0.0°	0.0°
C17	C18	C19	H15	180.0°	179.9°
C17	C18	C19	CL22	179.4°	180.0°
C20	C19	C18	CL22	179.5°	180.0°
C20	C19	C18	H15	179.9°	180.0°
C19	C20	C21	H17	179.0°	179.8°
C18	C19	C20	H16	179.9°	180.0°
CL22	C19	C18	H15	0.6°	0.0°
CL22	C19	C20	H16	0.6°	0.0°
H1	C01	H2	H3	120.0°	120.0°
H5	C11	C12	H7	52.6°	59.2°
H5	C11	C12	H8	65.8°	60.8°
H6	C11	C12	H7	172.8°	179.2°
H6	C11	C12	H8	54.4°	59.2°
H7	C12	C13	H9	152.6°	57.6°
H7	C12	C13	H10	34.1°	177.7°
H8	C12	C13	H9	34.1°	62.5°
H8	C12	C13	H10	84.4°	57.6°
H9	C13	C14	H11	32.5°	57.6°
H9	C13	C14	H12	150.5°	62.5°
H10	C13	C14	H11	86.0°	177.8°
H10	C13	C14	H12	32.0°	57.7°
H11	C14	C15	H13	50.6°	179.2°
H11	C14	C15	H14	69.6°	59.2°
H12	C14	C15	H13	168.6°	59.2°
H12	C14	C15	H14	48.4°	60.8°
H16	C20	C21	H17	1.0°	0.0°
H18	C25	C26	H19	0.2°	0.0°
H20	C28	C29	H21	0.5°	0.1°

Release date:	2024-11-13
Definition date:	2024-06-19
Last modified:	2024-11-08
Release status:	REL
Processing site:	PDBC
Derived from:	8ZX5