A1AD9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	N19	sing	1.37Å	1.36Å	Aromatic
C21	C22	doub	1.34Å	1.35Å	Aromatic
N19	C18	sing	1.37Å	1.38Å	Aromatic
C22	C23	sing	1.46Å	1.47Å	Aromatic
C18	C23	doub	1.41Å	1.42Å	Aromatic
C18	N17	sing	1.33Å	1.34Å	Aromatic
C23	C14	sing	1.41Å	1.42Å	Aromatic
N17	C16	doub	1.32Å	1.32Å	Aromatic
C3	N2	sing	1.35Å	1.34Å	Aromatic
C3	C4	doub	1.36Å	1.37Å	Aromatic
C1	N2	sing	1.47Å	1.46Å
C14	C4	sing	1.48Å	1.48Å
C14	C15	doub	1.39Å	1.41Å	Aromatic
N2	N6	sing	1.40Å	1.40Å	Aromatic
C4	C5	sing	1.42Å	1.43Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
N6	C5	doub	1.32Å	1.32Å	Aromatic
C5	C7	sing	1.48Å	1.48Å
C13	C7	doub	1.39Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C12	C10	doub	1.39Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.39Å	1.39Å	Aromatic
C10	F11	sing	1.35Å	1.35Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C21	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
N19	H12	sing	0.97Å	1.00Å
C22	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N19	C21	C22	110.7°	109.8°
C21	N19	C18	109.9°	110.1°
N19	C21	H9	124.7°	125.1°
C21	N19	H12	125.1°	124.9°
C21	C22	C23	106.5°	106.9°
C22	C21	H9	124.7°	125.1°
C21	C22	H13	126.8°	126.6°
N19	C18	C23	107.2°	107.0°
N19	C18	N17	131.8°	133.1°
C18	N19	H12	125.1°	125.0°
C22	C23	C18	105.8°	106.3°
C22	C23	C14	135.7°	134.3°
C23	C22	H13	126.8°	126.5°
C23	C18	N17	121.0°	119.9°
C18	C23	C14	118.5°	119.3°
C18	N17	C16	121.7°	122.0°
C23	C14	C4	121.6°	121.1°
C23	C14	C15	117.4°	117.8°
N17	C16	C15	121.4°	121.7°
N17	C16	H8	119.3°	119.1°
N2	C3	C4	108.7°	107.8°
C3	N2	C1	125.5°	125.7°
C3	N2	N6	107.9°	108.5°
N2	C3	H4	125.6°	126.1°
C3	C4	C14	122.5°	126.3°
C3	C4	C5	106.8°	107.5°
C4	C3	H4	125.6°	126.1°
C1	N2	N6	126.6°	125.7°
N2	C1	H1	109.5°	109.5°
N2	C1	H2	109.5°	109.4°
N2	C1	H3	109.5°	109.5°
C4	C14	C15	120.8°	121.2°
C14	C4	C5	130.6°	126.3°
C14	C15	C16	120.0°	119.3°
C14	C15	H7	120.0°	120.3°
N2	N6	C5	109.3°	108.4°
C4	C5	N6	107.2°	107.8°
C4	C5	C7	127.1°	126.1°
C16	C15	H7	120.0°	120.4°
C15	C16	H8	119.3°	119.2°
N6	C5	C7	125.6°	126.1°
C5	C7	C13	122.8°	120.1°
C5	C7	C8	117.5°	120.1°
C7	C13	C12	119.6°	119.9°
C13	C7	C8	119.7°	119.8°
C7	C13	H11	120.2°	120.1°
C13	C12	C10	120.1°	120.1°
C13	C12	H6	120.0°	120.0°
C12	C13	H11	120.2°	120.1°
C7	C8	C9	120.6°	119.9°
C7	C8	H5	119.7°	120.1°
C12	C10	C9	120.3°	120.2°
C12	C10	F11	121.2°	119.9°
C10	C12	H6	120.0°	119.9°
C8	C9	C10	119.6°	120.1°
C9	C8	H5	119.7°	120.1°
C8	C9	H10	120.1°	119.9°
C9	C10	F11	118.5°	119.9°
C10	C9	H10	120.2°	120.0°
H1	C1	H2	109.4°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N19	C21	C22	H9	180.0°	179.8°
C21	N19	C18	H12	180.0°	179.8°
N19	C21	C22	C23	1.2°	0.3°
C21	N19	C18	C23	0.7°	0.0°
C21	N19	C18	N17	179.1°	179.8°
N19	C21	C22	H13	178.8°	180.0°
C22	C21	N19	C18	1.3°	0.2°
C21	C22	C23	H13	180.0°	179.7°
C21	C22	C23	C18	0.7°	0.3°
C21	C22	C23	C14	179.8°	179.9°
C22	C21	N19	H12	178.8°	180.0°
N19	C18	C23	C22	0.0°	0.2°
N19	C18	C23	N17	179.8°	179.8°
N19	C18	C23	C14	179.6°	180.0°
N19	C18	N17	C16	178.9°	179.9°
C18	N19	C21	H9	178.7°	180.0°
C22	C23	C18	C14	179.6°	179.8°
C22	C23	C18	N17	179.8°	180.0°
C22	C23	C14	C4	4.4°	0.3°
C22	C23	C14	C15	178.3°	179.7°
C23	C22	C21	H9	178.8°	179.9°
C23	C18	N17	C16	0.9°	0.1°
C18	C23	C14	C4	176.2°	179.9°
C18	C23	C14	C15	2.3°	0.0°
C23	C18	N19	H12	179.3°	179.8°
C18	C23	C22	H13	179.3°	180.0°
N17	C18	C23	C14	0.6°	0.2°
C18	N17	C16	C15	0.6°	0.1°
C18	N17	C16	H8	179.4°	180.0°
N17	C18	N19	H12	0.9°	0.0°
C23	C14	C4	C3	40.1°	114.2°
C23	C14	C4	C15	173.7°	180.0°
C23	C14	C4	C5	144.2°	65.9°
C23	C14	C15	C16	2.6°	0.3°
C23	C14	C15	H7	177.4°	180.0°
C14	C23	C22	H13	0.2°	0.2°
N17	C16	C15	C14	1.2°	0.3°
N17	C16	C15	H8	180.0°	179.9°
N17	C16	C15	H7	178.8°	180.0°
N2	C3	C4	H4	180.0°	179.8°
C3	N2	C1	N6	179.2°	180.0°
N2	C3	C4	C14	177.6°	180.0°
N2	C3	C4	C5	1.0°	0.0°
C3	N2	N6	C5	0.3°	0.0°
C3	N2	C1	H1	179.2°	90.0°
C3	N2	C1	H2	59.2°	150.0°
C3	N2	C1	H3	60.8°	30.0°
C4	C3	N2	C1	178.5°	180.0°
C3	C4	C14	C5	175.7°	179.9°
C3	C4	C14	C15	133.6°	65.9°
C4	C3	N2	N6	0.8°	0.0°
C3	C4	C5	N6	0.9°	0.0°
C3	C4	C5	C7	177.3°	180.0°
C1	N2	N6	C5	179.1°	180.0°
N2	C1	H1	H2	120.0°	119.9°
N2	C1	H1	H3	120.0°	120.0°
N2	C1	H2	H3	120.0°	120.0°
C1	N2	C3	H4	1.5°	0.2°
C4	C14	C15	C16	176.6°	179.7°
C14	C4	C5	N6	177.1°	180.0°
C14	C4	C5	C7	1.1°	0.0°
C14	C4	C3	H4	2.4°	0.2°
C4	C14	C15	H7	3.4°	0.0°
C15	C14	C4	C5	42.1°	114.1°
C14	C15	C16	H7	180.0°	179.7°
C14	C15	C16	H8	178.8°	179.8°
N2	N6	C5	C4	0.4°	0.0°
N2	N6	C5	C7	177.8°	180.0°
N6	N2	C1	H1	0.0°	89.9°
N6	N2	C1	H2	120.0°	30.0°
N6	N2	C1	H3	120.0°	150.0°
N6	N2	C3	H4	179.1°	179.8°
C4	C5	N6	C7	178.2°	180.0°
C4	C5	C7	C13	53.4°	138.9°
C4	C5	C7	C8	124.6°	41.5°
C5	C4	C3	H4	178.9°	179.8°
N6	C5	C7	C13	128.8°	41.1°
N6	C5	C7	C8	53.3°	138.6°
C5	C7	C13	C8	177.9°	179.7°
C5	C7	C13	C12	179.7°	179.7°
C5	C7	C8	C9	178.6°	180.0°
C5	C7	C8	H5	1.4°	0.1°
C5	C7	C13	H11	0.3°	0.0°
C7	C13	C12	H11	180.0°	179.6°
C7	C13	C12	C10	3.0°	0.6°
C13	C7	C8	C9	0.6°	0.4°
C13	C7	C8	H5	179.4°	179.8°
C7	C13	C12	H6	177.0°	179.7°
C12	C13	C7	C8	2.4°	0.7°
C13	C12	C10	H6	180.0°	179.7°
C13	C12	C10	C9	1.8°	0.3°
C13	C12	C10	F11	177.2°	179.9°
C7	C8	C9	H5	180.0°	179.8°
C7	C8	C9	C10	0.6°	0.0°
C7	C8	C9	H10	179.4°	180.0°
C8	C7	C13	H11	177.6°	179.7°
C12	C10	C9	C8	0.0°	0.0°
C12	C10	C9	F11	179.0°	179.8°
C12	C10	C9	H10	180.0°	180.0°
C10	C12	C13	H11	177.0°	179.7°
C8	C9	C10	H10	180.0°	180.0°
C8	C9	C10	F11	179.0°	179.8°
C10	C9	C8	H5	179.4°	179.9°
C9	C10	C12	H6	178.2°	180.0°
F11	C10	C12	H6	2.8°	0.2°
F11	C10	C9	H10	1.0°	0.3°
H1	C1	H2	H3	120.0°	120.1°
H5	C8	C9	H10	0.6°	0.1°
H6	C12	C13	H11	3.0°	0.0°
H7	C15	C16	H8	1.2°	0.1°
H9	C21	N19	H12	1.3°	0.2°
H9	C21	C22	H13	1.2°	0.2°

Release date:	2024-05-08
Definition date:	2024-02-05
Last modified:	2024-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	8VXE