A1DPN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.37Å	Aromatic
N9	N10	sing	1.29Å	1.42Å	Aromatic
N9	C8	doub	1.30Å	1.28Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
N10	C11	doub	1.30Å	1.28Å	Aromatic
C5	C6	doub	1.38Å	1.39Å	Aromatic
C8	C1	sing	1.51Å	1.50Å
C8	O25	sing	1.34Å	1.37Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C2	C7	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.51Å	1.49Å
C11	O25	sing	1.34Å	1.37Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C12	N13	sing	1.46Å	1.47Å
F22	C21	sing	1.40Å	1.29Å
C14	N13	sing	1.36Å	1.38Å
C14	C15	doub	1.35Å	1.35Å
N13	C18	sing	1.35Å	1.41Å
C21	C15	sing	1.51Å	1.50Å
C21	F23	sing	1.40Å	1.33Å
C21	F24	sing	1.40Å	1.29Å
C15	C16	sing	1.40Å	1.43Å
C18	O19	doub	1.22Å	1.21Å
C18	C17	sing	1.41Å	1.44Å
C16	C17	doub	1.36Å	1.35Å
C17	CL20	sing	1.74Å	1.70Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	120.3°	120.0°
C4	C3	C2	120.8°	120.0°
C3	C4	H1	119.8°	120.0°
C4	C3	H7	119.6°	120.0°
C4	C5	C6	119.7°	120.0°
C5	C4	H1	119.9°	120.0°
C4	C5	H2	120.2°	120.0°
N10	N9	C8	106.2°	109.4°
N9	N10	C11	106.2°	109.4°
N9	C8	C1	129.1°	126.2°
N9	C8	O25	112.5°	107.5°
C3	C2	C1	120.6°	120.0°
C3	C2	C7	118.3°	120.0°
C2	C3	H7	119.6°	120.0°
N10	C11	C12	129.1°	126.3°
N10	C11	O25	112.6°	107.5°
C5	C6	C7	120.1°	120.0°
C6	C5	H2	120.2°	120.0°
C5	C6	H3	119.9°	120.0°
C1	C8	O25	118.3°	126.3°
C8	C1	C2	112.9°	109.5°
C8	C1	H5	108.6°	109.4°
C8	C1	H6	108.6°	109.6°
C8	O25	C11	102.5°	106.4°
C1	C2	C7	120.8°	120.0°
C2	C1	H5	108.6°	109.5°
C2	C1	H6	108.6°	109.5°
C2	C7	C6	120.8°	119.9°
C2	C7	H4	119.6°	120.0°
C12	C11	O25	118.2°	126.3°
C11	C12	N13	111.8°	109.5°
C11	C12	H8	108.9°	109.4°
C11	C12	H9	108.9°	109.4°
C7	C6	H3	120.0°	120.0°
C6	C7	H4	119.6°	120.0°
C12	N13	C14	120.0°	119.6°
C12	N13	C18	117.5°	119.6°
N13	C12	H8	108.9°	109.5°
N13	C12	H9	108.9°	109.5°
F22	C21	C15	112.8°	109.5°
F22	C21	F23	105.3°	109.5°
F22	C21	F24	105.7°	109.5°
N13	C14	C15	120.5°	120.7°
C14	N13	C18	122.5°	120.7°
N13	C14	H10	119.8°	119.6°
C14	C15	C21	120.4°	120.0°
C14	C15	C16	120.5°	120.0°
C15	C14	H10	119.7°	119.7°
N13	C18	O19	121.1°	120.0°
N13	C18	C17	114.9°	120.0°
C15	C21	F23	113.4°	109.4°
C15	C21	F24	112.3°	109.5°
C21	C15	C16	119.1°	120.0°
F23	C21	F24	106.7°	109.5°
C15	C16	C17	118.7°	119.3°
C15	C16	H11	120.6°	120.4°
O19	C18	C17	123.9°	120.0°
C18	C17	C16	122.9°	119.3°
C18	C17	CL20	116.0°	120.3°
C16	C17	CL20	120.9°	120.4°
C17	C16	H11	120.6°	120.4°
H5	C1	H6	109.5°	109.4°
H8	C12	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H1	180.0°	179.6°
C4	C3	C2	H7	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.0°
C4	C3	C2	C1	173.4°	180.0°
C4	C3	C2	C7	0.2°	0.1°
C3	C4	C5	H2	180.0°	180.0°
C5	C4	C3	C2	0.1°	0.0°
C4	C5	C6	H2	180.0°	179.9°
C4	C5	C6	C7	0.1°	0.0°
C4	C5	C6	H3	179.9°	179.9°
C5	C4	C3	H7	179.9°	180.0°
N10	N9	C8	C1	177.3°	180.0°
N10	N9	C8	O25	0.1°	0.2°
N9	N10	C11	C12	177.8°	180.0°
N9	N10	C11	O25	0.1°	0.2°
C8	N9	N10	C11	0.0°	0.0°
N9	C8	C1	O25	177.2°	179.7°
N9	C8	C1	C2	31.0°	90.4°
N9	C8	O25	C11	0.2°	0.4°
N9	C8	C1	H5	151.5°	149.7°
N9	C8	C1	H6	89.4°	29.7°
C3	C2	C1	C8	109.8°	90.1°
C3	C2	C1	C7	173.4°	179.9°
C3	C2	C7	C6	0.2°	0.1°
C2	C3	C4	H1	179.9°	179.6°
C3	C2	C7	H4	179.8°	179.9°
C3	C2	C1	H5	129.8°	149.9°
C3	C2	C1	H6	10.7°	30.0°
N10	C11	O25	C8	0.2°	0.4°
N10	C11	C12	O25	177.8°	179.7°
N10	C11	C12	N13	96.5°	89.9°
N10	C11	C12	H8	23.9°	150.0°
N10	C11	C12	H9	143.1°	30.1°
C5	C6	C7	C2	0.2°	0.0°
C5	C6	C7	H3	180.0°	179.9°
C6	C5	C4	H1	179.9°	179.7°
C5	C6	C7	H4	179.8°	180.0°
C8	C1	C2	H5	120.5°	119.9°
C8	C1	C2	H6	120.5°	120.1°
C8	C1	C2	C7	63.7°	90.0°
C1	C8	O25	C11	177.5°	179.9°
C8	C1	H5	H6	118.4°	120.1°
O25	C8	C1	C2	146.2°	90.0°
C8	O25	C11	C12	178.0°	179.9°
O25	C8	C1	H5	25.7°	30.0°
O25	C8	C1	H6	93.3°	150.0°
C1	C2	C7	C6	173.4°	180.0°
C1	C2	C7	H4	6.6°	0.0°
C2	C1	H5	H6	118.4°	120.0°
C1	C2	C3	H7	6.6°	0.0°
C2	C7	C6	H4	180.0°	180.0°
C2	C7	C6	H3	179.9°	179.9°
C7	C2	C1	H5	56.8°	30.0°
C7	C2	C1	H6	175.8°	149.9°
C7	C2	C3	H7	179.8°	180.0°
C11	C12	N13	H8	120.4°	120.0°
C11	C12	N13	H9	120.4°	120.0°
C11	C12	N13	C14	73.4°	89.2°
C11	C12	N13	C18	106.2°	90.0°
C11	C12	H8	H9	118.9°	119.9°
O25	C11	C12	N13	81.3°	89.8°
O25	C11	C12	H8	158.4°	30.2°
O25	C11	C12	H9	39.1°	150.2°
C7	C6	C5	H2	179.9°	180.0°
C12	N13	C14	C18	179.6°	179.1°
C12	N13	C14	C15	179.9°	179.7°
C12	N13	C18	O19	4.0°	0.1°
C12	N13	C18	C17	179.8°	180.0°
N13	C12	H8	H9	118.9°	120.0°
C12	N13	C14	H10	0.1°	0.3°
F22	C21	C15	C14	8.1°	24.7°
F22	C21	C15	F23	119.7°	120.0°
F22	C21	C15	F24	119.4°	120.0°
F22	C21	F23	F24	112.1°	120.0°
F22	C21	C15	C16	169.7°	155.0°
N13	C14	C15	H10	180.0°	180.0°
N13	C14	C15	C21	177.6°	179.7°
N13	C14	C15	C16	0.2°	0.0°
C14	N13	C18	O19	175.6°	179.2°
C14	N13	C18	C17	0.6°	0.8°
C14	N13	C12	H8	47.0°	150.8°
C14	N13	C12	H9	166.3°	30.8°
C15	C14	N13	C18	0.3°	0.6°
C14	C15	C21	C16	177.8°	179.7°
C14	C15	C21	F23	111.5°	95.3°
C14	C15	C21	F24	127.5°	144.7°
C14	C15	C16	C17	0.4°	0.3°
C14	C15	C16	H11	179.5°	179.7°
N13	C18	O19	C17	175.9°	179.9°
N13	C18	C17	C16	0.9°	0.6°
N13	C18	C17	CL20	174.5°	179.4°
C18	N13	C12	H8	133.4°	30.0°
C18	N13	C12	H9	14.2°	150.1°
C18	N13	C14	H10	179.7°	179.4°
C15	C21	F23	F24	124.1°	120.0°
C21	C15	C16	C17	177.4°	180.0°
C21	C15	C14	H10	2.4°	0.3°
C21	C15	C16	H11	2.7°	0.0°
F23	C21	C15	C16	70.7°	85.0°
F24	C21	C15	C16	50.3°	35.0°
C15	C16	C17	C18	0.8°	0.0°
C15	C16	C17	H11	180.0°	179.9°
C15	C16	C17	CL20	174.4°	180.0°
C16	C15	C14	H10	179.8°	180.0°
O19	C18	C17	C16	175.2°	179.5°
O19	C18	C17	CL20	9.4°	0.5°
C18	C17	C16	CL20	175.2°	180.0°
C18	C17	C16	H11	179.1°	180.0°
CL20	C17	C16	H11	5.6°	0.0°
H1	C4	C5	H2	0.1°	0.4°
H1	C4	C3	H7	0.1°	0.3°
H2	C5	C6	H3	0.0°	0.1°
H3	C6	C7	H4	0.2°	0.1°

Release date:	2026-09-30
Definition date:	2026-07-28
Last modified:	2026-09-25
Release status:	REL
Processing site:	RCSB
Derived from:	37MF