A1EJU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C11	doub	1.22Å	1.23Å
C11	N12	sing	1.34Å	1.36Å
C11	C10	sing	1.42Å	1.45Å
N20	C19	sing	1.34Å	1.32Å	Aromatic
N20	N21	sing	1.40Å	1.37Å	Aromatic
N7	C10	sing	1.40Å	1.35Å
C19	C2	doub	1.38Å	1.41Å	Aromatic
N12	C15	sing	1.38Å	1.38Å
C10	C9	doub	1.39Å	1.39Å
O23	C24	sing	1.43Å	1.43Å
O23	C16	sing	1.36Å	1.37Å
N21	C3	doub	1.32Å	1.36Å	Aromatic
C15	C16	doub	1.40Å	1.40Å	Aromatic
C15	C14	sing	1.40Å	1.40Å	Aromatic
C2	C3	sing	1.47Å	1.41Å	Aromatic
C2	C1	sing	1.47Å	1.41Å	Aromatic
C9	C14	sing	1.47Å	1.45Å
C9	C1	sing	1.47Å	1.49Å
C16	C17	sing	1.39Å	1.38Å	Aromatic
C14	N13	doub	1.33Å	1.35Å	Aromatic
C3	C4	sing	1.41Å	1.38Å	Aromatic
C1	C6	doub	1.38Å	1.40Å	Aromatic
C17	C18	doub	1.38Å	1.38Å	Aromatic
N13	C18	sing	1.32Å	1.34Å	Aromatic
C4	F22	sing	1.35Å	1.35Å
C4	C5	doub	1.36Å	1.37Å	Aromatic
C6	C5	sing	1.39Å	1.38Å	Aromatic
C17	H1	sing	1.08Å	1.08Å
C18	H2	sing	1.08Å	1.08Å
C19	H3	sing	1.08Å	1.08Å
C24	H4	sing	1.09Å	1.10Å
C24	H5	sing	1.09Å	1.10Å
C24	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
N12	H9	sing	0.97Å	1.00Å
N20	H10	sing	0.97Å	1.00Å
N7	H11	sing	0.97Å	1.00Å
N7	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C11	N12	120.8°	119.3°
O8	C11	C10	124.6°	119.2°
N12	C11	C10	114.6°	121.5°
C11	N12	C15	125.6°	121.5°
C11	N12	H9	117.2°	119.3°
C11	C10	N7	115.3°	120.1°
C11	C10	C9	122.6°	119.8°
C19	N20	N21	106.1°	109.8°
N20	C19	C2	111.4°	107.9°
N20	C19	H3	124.3°	126.0°
C19	N20	H10	126.9°	125.1°
N20	N21	C3	111.5°	108.9°
N21	N20	H10	127.0°	125.1°
N7	C10	C9	122.2°	120.1°
C10	N7	H11	109.5°	120.0°
C10	N7	H12	109.5°	120.0°
C19	C2	C3	104.3°	106.6°
C19	C2	C1	136.7°	135.1°
C2	C19	H3	124.3°	126.1°
N12	C15	C16	120.2°	120.9°
N12	C15	C14	120.4°	120.2°
C15	N12	H9	117.2°	119.3°
C10	C9	C14	119.3°	118.3°
C10	C9	C1	121.9°	120.9°
C24	O23	C16	117.3°	117.0°
O23	C24	H4	109.5°	109.5°
O23	C24	H5	109.5°	109.5°
O23	C24	H6	109.5°	109.6°
O23	C16	C15	115.4°	120.9°
O23	C16	C17	125.1°	120.9°
N21	C3	C2	106.7°	106.7°
N21	C3	C4	134.1°	134.7°
C16	C15	C14	119.4°	118.9°
C15	C16	C17	119.5°	118.2°
C15	C14	C9	117.2°	118.7°
C15	C14	N13	121.0°	120.5°
C3	C2	C1	119.0°	118.3°
C2	C3	C4	119.2°	118.6°
C2	C1	C9	122.7°	120.7°
C2	C1	C6	119.6°	118.6°
C14	C9	C1	118.8°	120.9°
C9	C14	N13	121.3°	120.8°
C9	C1	C6	117.7°	120.7°
C16	C17	C18	117.4°	119.5°
C16	C17	H1	121.3°	120.2°
C14	N13	C18	118.5°	121.6°
C3	C4	F22	118.1°	119.7°
C3	C4	C5	122.4°	120.5°
C1	C6	C5	120.9°	121.3°
C1	C6	H8	119.5°	119.3°
C17	C18	N13	124.3°	121.3°
C18	C17	H1	121.3°	120.2°
C17	C18	H2	117.9°	119.3°
N13	C18	H2	117.9°	119.4°
F22	C4	C5	119.6°	119.8°
C4	C5	C6	118.8°	122.6°
C4	C5	H7	120.6°	118.7°
C6	C5	H7	120.6°	118.7°
C5	C6	H8	119.5°	119.3°
H4	C24	H5	109.4°	109.4°
H4	C24	H6	109.5°	109.4°
H5	C24	H6	109.5°	109.5°
H11	N7	H12	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C11	N12	C10	179.1°	179.9°
O8	C11	C10	N7	2.7°	0.3°
O8	C11	N12	C15	179.8°	180.0°
O8	C11	C10	C9	177.0°	179.9°
O8	C11	N12	H9	0.2°	0.0°
N12	C11	C10	N7	178.3°	179.7°
C11	N12	C15	H9	180.0°	180.0°
N12	C11	C10	C9	2.1°	0.0°
C11	N12	C15	C16	173.9°	180.0°
C11	N12	C15	C14	5.9°	0.0°
C11	C10	N7	C9	179.6°	179.7°
C10	C11	N12	C15	1.1°	0.0°
C11	C10	C9	C14	0.5°	0.0°
C11	C10	C9	C1	179.5°	180.0°
C10	C11	N12	H9	178.9°	179.9°
C11	C10	N7	H11	180.0°	179.7°
C11	C10	N7	H12	60.0°	0.3°
C19	N20	N21	H10	180.0°	179.7°
N20	C19	C2	H3	180.0°	179.7°
C19	N20	N21	C3	0.1°	0.4°
N20	C19	C2	C3	0.1°	0.3°
N20	C19	C2	C1	179.8°	179.8°
N21	N20	C19	C2	0.1°	0.4°
N20	N21	C3	C2	0.1°	0.2°
N20	N21	C3	C4	179.9°	179.8°
N21	N20	C19	H3	179.9°	179.9°
N7	C10	C9	C14	180.0°	179.7°
N7	C10	C9	C1	0.1°	0.3°
C10	N7	H11	H12	120.0°	180.0°
C19	C2	C3	N21	0.0°	0.0°
C19	C2	C3	C1	179.9°	179.9°
C19	C2	C1	C9	0.5°	0.0°
C19	C2	C3	C4	180.0°	180.0°
C19	C2	C1	C6	179.9°	180.0°
C2	C19	N20	H10	179.9°	179.9°
N12	C15	C16	O23	0.4°	0.0°
N12	C15	C16	C14	179.9°	180.0°
N12	C15	C14	C9	7.2°	0.1°
N12	C15	C16	C17	179.6°	180.0°
N12	C15	C14	N13	179.0°	179.9°
C10	C9	C14	C15	4.2°	0.1°
C10	C9	C1	C2	86.6°	75.0°
C10	C9	C14	C1	180.0°	180.0°
C10	C9	C14	N13	175.9°	180.0°
C10	C9	C1	C6	93.8°	105.0°
C9	C10	N7	H11	0.4°	0.0°
C9	C10	N7	H12	120.4°	180.0°
C24	O23	C16	C15	177.2°	179.9°
C24	O23	C16	C17	2.8°	0.0°
O23	C24	H4	H5	120.0°	120.0°
O23	C24	H4	H6	120.0°	120.1°
O23	C24	H5	H6	120.0°	120.1°
O23	C16	C15	C17	180.0°	180.0°
O23	C16	C15	C14	179.7°	180.0°
O23	C16	C17	C18	179.9°	180.0°
O23	C16	C17	H1	0.1°	0.1°
C16	O23	C24	H4	180.0°	180.0°
C16	O23	C24	H5	60.0°	60.0°
C16	O23	C24	H6	60.0°	60.0°
N21	C3	C2	C4	180.0°	180.0°
N21	C3	C2	C1	179.9°	180.0°
N21	C3	C4	F22	0.0°	0.0°
N21	C3	C4	C5	179.9°	180.0°
C3	N21	N20	H10	179.9°	179.9°
C16	C15	C14	C9	172.7°	180.0°
C16	C15	C14	N13	0.9°	0.1°
C15	C16	C17	C18	0.0°	0.0°
C15	C16	C17	H1	179.9°	179.9°
C16	C15	N12	H9	6.1°	0.0°
C15	C14	C9	N13	171.7°	179.9°
C15	C14	C9	C1	175.8°	180.0°
C14	C15	C16	C17	0.3°	0.0°
C15	C14	N13	C18	1.1°	0.1°
C14	C15	N12	H9	174.0°	180.0°
C3	C2	C1	C9	179.7°	180.0°
C3	C2	C1	C6	0.1°	0.1°
C2	C3	C4	F22	179.9°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C19	H3	179.9°	180.0°
C2	C1	C9	C14	93.5°	105.0°
C2	C1	C9	C6	179.6°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C2	C1	C6	C5	0.1°	0.0°
C1	C2	C19	H3	0.2°	0.1°
C2	C1	C6	H8	179.9°	180.0°
C14	C9	C1	C6	86.2°	75.0°
C9	C14	N13	C18	172.5°	180.0°
C1	C9	C14	N13	4.1°	0.1°
C9	C1	C6	C5	179.7°	180.0°
C9	C1	C6	H8	0.3°	0.0°
C16	C17	C18	H1	180.0°	179.9°
C16	C17	C18	N13	0.2°	0.0°
C16	C17	C18	H2	179.8°	179.9°
C14	N13	C18	C17	0.8°	0.1°
C14	N13	C18	H2	179.3°	180.0°
C3	C4	F22	C5	179.8°	180.0°
C3	C4	C5	C6	0.1°	0.0°
C3	C4	C5	H7	179.9°	179.9°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	H8	180.0°	179.9°
C1	C6	C5	H7	179.9°	179.9°
C17	C18	N13	H2	180.0°	179.9°
N13	C18	C17	H1	179.8°	179.9°
F22	C4	C5	C6	180.0°	180.0°
F22	C4	C5	H7	0.1°	0.1°
C4	C5	C6	H7	180.0°	180.0°
C4	C5	C6	H8	179.9°	179.9°
H1	C17	C18	H2	0.1°	0.0°
H3	C19	N20	H10	0.1°	0.2°
H4	C24	H5	H6	120.0°	119.9°
H7	C5	C6	H8	0.1°	0.1°

Release date:	2025-04-16
Definition date:	2025-01-17
Last modified:	2025-04-11
Release status:	REL
Processing site:	PDBC
Derived from:	9LGN