A1ENQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N04	O01	sing	1.21Å	1.36Å	Aromatic
N04	C14	doub	1.32Å	1.32Å	Aromatic
C13	C16	doub	1.38Å	1.50Å	Aromatic
C13	C08	sing	1.39Å	1.58Å	Aromatic
C16	C17	sing	1.39Å	1.48Å	Aromatic
C09	N02	sing	1.46Å	1.46Å
C09	C12	sing	1.51Å	1.53Å
O01	N05	sing	1.21Å	1.36Å	Aromatic
C08	N02	sing	1.38Å	1.33Å	Aromatic
C08	C11	doub	1.41Å	1.38Å	Aromatic
C17	C15	doub	1.37Å	1.50Å	Aromatic
N02	C10	sing	1.37Å	1.37Å	Aromatic
C11	C15	sing	1.40Å	1.58Å	Aromatic
C11	N03	sing	1.35Å	1.33Å	Aromatic
C10	N03	doub	1.31Å	1.36Å	Aromatic
C10	C14	sing	1.48Å	1.52Å
C14	C20	sing	1.48Å	1.38Å	Aromatic
C19	C12	doub	1.39Å	1.49Å	Aromatic
C19	C22	sing	1.38Å	1.53Å	Aromatic
C12	C18	sing	1.39Å	1.49Å	Aromatic
N05	C20	doub	1.31Å	1.31Å	Aromatic
C22	N06	doub	1.32Å	1.48Å	Aromatic
C20	N07	sing	1.39Å	1.45Å
C18	C21	doub	1.38Å	1.53Å	Aromatic
N06	C21	sing	1.32Å	1.48Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
N07	H6	sing	0.97Å	1.00Å
N07	H7	sing	0.97Å	1.00Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	N04	C14	107.4°	109.3°
N04	O01	N05	108.1°	116.2°
N04	C14	C10	126.4°	128.7°
N04	C14	C20	108.7°	102.5°
C16	C13	C08	119.4°	119.7°
C13	C16	C17	120.1°	120.5°
C16	C13	H1	120.3°	120.1°
C13	C16	H10	119.9°	119.8°
C13	C08	N02	131.2°	134.0°
C13	C08	C11	120.4°	119.8°
C08	C13	H1	120.3°	120.1°
C16	C17	C15	119.9°	120.7°
C16	C17	H3	120.1°	119.7°
C17	C16	H10	119.9°	119.7°
N02	C09	C12	113.7°	109.5°
C09	N02	C08	124.2°	126.4°
C09	N02	C10	128.6°	126.4°
N02	C09	H8	108.4°	109.5°
N02	C09	H9	108.4°	109.5°
C09	C12	C19	119.2°	120.8°
C09	C12	C18	121.6°	120.8°
C12	C09	H8	108.4°	109.5°
C12	C09	H9	108.4°	109.4°
O01	N05	C20	108.3°	109.4°
N02	C08	C11	108.4°	106.2°
C08	N02	C10	107.1°	107.2°
C08	C11	C15	120.7°	119.4°
C08	C11	N03	107.9°	107.2°
C17	C15	C11	119.4°	119.9°
C17	C15	H2	120.3°	120.0°
C15	C17	H3	120.0°	119.7°
N02	C10	N03	108.4°	109.8°
N02	C10	C14	127.5°	125.1°
C15	C11	N03	131.4°	133.4°
C11	C15	H2	120.3°	120.1°
C11	N03	C10	108.1°	109.6°
N03	C10	C14	124.1°	125.1°
C10	C14	C20	124.9°	128.8°
C14	C20	N05	107.5°	102.6°
C14	C20	N07	125.9°	128.7°
C12	C19	C22	120.5°	119.2°
C19	C12	C18	119.2°	118.4°
C12	C19	H12	119.8°	120.4°
C19	C22	N06	119.9°	120.8°
C19	C22	H5	120.0°	119.6°
C22	C19	H12	119.7°	120.4°
C12	C18	C21	120.2°	119.2°
C12	C18	H11	119.9°	120.4°
N05	C20	N07	126.6°	128.7°
C22	N06	C21	120.0°	121.8°
N06	C22	H5	120.1°	119.7°
C20	N07	H6	109.5°	120.0°
C20	N07	H7	109.4°	120.0°
C18	C21	N06	120.1°	120.7°
C18	C21	H4	120.0°	119.6°
C21	C18	H11	119.9°	120.4°
N06	C21	H4	119.9°	119.6°
H6	N07	H7	109.5°	120.0°
H8	C09	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	N04	C14	C10	179.8°	179.8°
O01	N04	C14	C20	0.0°	0.2°
N04	O01	N05	C20	0.5°	0.2°
C14	N04	O01	N05	0.3°	0.1°
N04	C14	C10	N02	64.5°	0.3°
N04	C14	C10	N03	116.3°	179.9°
N04	C14	C10	C20	179.8°	180.0°
N04	C14	C20	N05	0.2°	0.3°
N04	C14	C20	N07	179.9°	180.0°
C16	C13	C08	H1	180.0°	180.0°
C13	C16	C17	H10	180.0°	179.4°
C16	C13	C08	N02	180.0°	180.0°
C16	C13	C08	C11	0.2°	0.3°
C13	C16	C17	C15	0.0°	0.5°
C13	C16	C17	H3	180.0°	179.7°
C08	C13	C16	C17	0.1°	0.6°
C13	C08	N02	C09	0.1°	0.0°
C13	C08	N02	C11	179.9°	179.7°
C13	C08	N02	C10	179.6°	180.0°
C13	C08	C11	C15	0.2°	0.0°
C13	C08	C11	N03	179.9°	179.8°
C08	C13	C16	H10	179.9°	180.0°
C16	C17	C15	H3	180.0°	179.7°
C16	C17	C15	C11	0.0°	0.2°
C17	C16	C13	H1	179.9°	179.4°
C16	C17	C15	H2	180.0°	179.7°
N02	C09	C12	H8	120.6°	120.1°
N02	C09	C12	H9	120.6°	120.0°
C09	N02	C08	C10	179.4°	180.0°
C09	N02	C08	C11	179.7°	179.7°
C09	N02	C10	N03	179.9°	180.0°
C09	N02	C10	C14	0.7°	0.3°
N02	C09	C12	C19	152.2°	90.0°
N02	C09	C12	C18	27.7°	90.0°
N02	C09	H8	H9	118.1°	120.0°
C12	C09	N02	C08	139.9°	90.0°
C12	C09	N02	C10	40.8°	90.0°
C09	C12	C19	C18	180.0°	180.0°
C09	C12	C19	C22	179.5°	179.8°
C09	C12	C18	C21	179.1°	180.0°
C12	C09	H8	H9	118.1°	119.9°
C09	C12	C18	H11	0.9°	0.0°
C09	C12	C19	H12	0.5°	0.0°
O01	N05	C20	C14	0.4°	0.3°
O01	N05	C20	N07	179.9°	180.0°
N02	C08	C11	C15	179.9°	179.8°
N02	C08	C11	N03	0.1°	0.4°
C08	N02	C10	N03	0.5°	0.0°
C08	N02	C10	C14	179.9°	179.7°
N02	C08	C13	H1	0.0°	0.0°
C08	N02	C09	H8	19.3°	30.0°
C08	N02	C09	H9	99.5°	150.0°
C08	C11	C15	C17	0.2°	0.0°
C11	C08	N02	C10	0.3°	0.3°
C08	C11	C15	N03	179.8°	179.8°
C08	C11	N03	C10	0.4°	0.5°
C11	C08	C13	H1	179.8°	179.7°
C08	C11	C15	H2	179.8°	180.0°
C17	C15	C11	H2	180.0°	179.9°
C17	C15	C11	N03	179.9°	179.7°
C15	C17	C16	H10	180.0°	180.0°
N02	C10	N03	C11	0.6°	0.3°
N02	C10	N03	C14	179.3°	179.7°
N02	C10	C14	C20	115.3°	179.7°
C10	N02	C09	H8	161.4°	149.9°
C10	N02	C09	H9	79.8°	30.0°
C15	C11	N03	C10	179.8°	179.8°
C11	C15	C17	H3	180.0°	180.0°
C11	N03	C10	C14	179.9°	180.0°
N03	C11	C15	H2	0.1°	0.2°
N03	C10	C14	C20	63.9°	0.1°
C10	C14	C20	N05	179.6°	179.7°
C10	C14	C20	N07	0.1°	0.0°
C14	C20	N05	N07	179.7°	179.7°
C14	C20	N07	H6	179.6°	179.7°
C14	C20	N07	H7	60.4°	0.4°
C12	C19	C22	H12	180.0°	179.8°
C12	C19	C22	N06	0.4°	0.3°
C19	C12	C18	C21	0.8°	0.0°
C12	C19	C22	H5	179.6°	179.8°
C19	C12	C09	H8	87.1°	149.9°
C19	C12	C09	H9	31.6°	30.0°
C19	C12	C18	H11	179.1°	180.0°
C22	C19	C12	C18	0.5°	0.2°
C19	C22	N06	H5	180.0°	180.0°
C19	C22	N06	C21	0.6°	0.0°
C12	C18	C21	H11	180.0°	180.0°
C12	C18	C21	N06	1.1°	0.2°
C12	C18	C21	H4	178.9°	180.0°
C18	C12	C09	H8	92.9°	30.1°
C18	C12	C09	H9	148.3°	150.0°
C18	C12	C19	H12	179.5°	180.0°
N05	C20	N07	H6	0.0°	0.1°
N05	C20	N07	H7	120.0°	180.0°
C22	N06	C21	C18	1.0°	0.2°
C22	N06	C21	H4	179.0°	180.0°
N06	C22	C19	H12	179.6°	180.0°
C20	N07	H6	H7	120.0°	180.0°
C18	C21	N06	H4	180.0°	179.8°
C21	N06	C22	H5	179.3°	180.0°
N06	C21	C18	H11	178.8°	179.7°
H1	C13	C16	H10	0.1°	0.0°
H2	C15	C17	H3	0.0°	0.0°
H3	C17	C16	H10	0.0°	0.3°
H4	C21	C18	H11	1.2°	0.0°
H5	C22	C19	H12	0.4°	0.0°

Release date:	2026-04-01
Definition date:	2025-03-19
Last modified:	2026-03-27
Release status:	REL
Processing site:	PDBC
Derived from:	9MA2