A1DMZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.47Å
C2	C3	doub	1.36Å	1.40Å	Aromatic
C2	N6	sing	1.36Å	1.39Å	Aromatic
C3	C4	sing	1.40Å	1.43Å	Aromatic
C3	N8	sing	1.41Å	1.42Å
C4	N5	doub	1.31Å	1.36Å	Aromatic
C4	C7	sing	1.51Å	1.48Å
N5	N6	sing	1.40Å	1.36Å	Aromatic
N8	C9	sing	1.47Å	1.49Å
N8	C13	sing	1.47Å	1.48Å
C9	C10	sing	1.53Å	1.53Å
C10	C11	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.53Å
C11	C14	sing	1.51Å	1.50Å
C12	C13	sing	1.53Å	1.53Å
C14	C15	doub	1.38Å	1.39Å	Aromatic
C14	C19	sing	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C18	C19	doub	1.38Å	1.39Å	Aromatic
C7	H7A	sing	1.09Å	1.10Å
C7	H7B	sing	1.09Å	1.10Å
C7	H7C	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C9	H9B	sing	1.09Å	1.10Å
C13	H13B	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C18	H18	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C1	H1C	sing	1.09Å	1.10Å
N6	H6	sing	0.97Å	1.00Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C12	H12B	sing	1.09Å	1.10Å
C15	H15	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	130.8°	126.2°
C1	C2	N6	123.3°	126.3°
C2	C1	H1A	109.5°	109.4°
C2	C1	H1B	109.5°	109.5°
C2	C1	H1C	109.4°	109.5°
C3	C2	N6	105.9°	107.5°
C2	C3	C4	106.0°	107.9°
C2	C3	N8	121.2°	126.1°
C2	N6	N5	112.3°	107.9°
C2	N6	H6	123.9°	126.1°
C4	C3	N8	132.7°	126.0°
C3	C4	N5	109.7°	108.3°
C3	C4	C7	130.4°	125.8°
C3	N8	C9	111.0°	111.0°
C3	N8	C13	113.8°	111.0°
N5	C4	C7	119.9°	125.9°
C4	N5	N6	106.1°	108.4°
C4	C7	H7A	109.5°	109.5°
C4	C7	H7B	109.5°	109.5°
C4	C7	H7C	109.5°	109.4°
N5	N6	H6	123.9°	126.0°
C9	N8	C13	110.4°	111.2°
N8	C9	C10	108.5°	109.5°
N8	C9	H9A	109.7°	109.4°
N8	C9	H9B	109.7°	109.4°
N8	C13	C12	108.4°	109.5°
N8	C13	H13B	109.7°	109.5°
N8	C13	H13A	109.7°	109.4°
C9	C10	C11	110.6°	109.3°
C10	C9	H9A	109.7°	109.5°
C10	C9	H9B	109.7°	109.5°
C9	C10	H10A	109.2°	109.5°
C9	C10	H10B	109.2°	109.5°
C10	C11	C12	109.9°	109.1°
C10	C11	C14	109.7°	109.5°
C11	C10	H10A	109.2°	109.5°
C11	C10	H10B	109.2°	109.5°
C10	C11	H11	109.0°	109.6°
C12	C11	C14	109.9°	109.5°
C11	C12	C13	110.9°	109.3°
C12	C11	H11	109.0°	109.5°
C11	C12	H12A	109.1°	109.6°
C11	C12	H12B	109.1°	109.5°
C11	C14	C15	120.0°	120.0°
C11	C14	C19	120.7°	120.0°
C14	C11	H11	109.4°	109.6°
C12	C13	H13B	109.8°	109.5°
C12	C13	H13A	109.7°	109.5°
C13	C12	H12A	109.1°	109.5°
C13	C12	H12B	109.1°	109.5°
C15	C14	C19	119.3°	120.0°
C14	C15	C16	120.5°	120.0°
C14	C15	H15	119.7°	120.0°
C14	C19	C18	120.2°	120.0°
C14	C19	H19	119.9°	120.1°
C15	C16	C17	119.9°	120.0°
C15	C16	H16	120.0°	120.0°
C16	C15	H15	119.7°	120.0°
C16	C17	C18	119.8°	120.0°
C17	C16	H16	120.0°	120.0°
C16	C17	H17	120.1°	120.0°
C17	C18	C19	120.3°	120.0°
C17	C18	H18	119.8°	120.0°
C18	C17	H17	120.1°	120.0°
C19	C18	H18	119.9°	120.0°
C18	C19	H19	119.9°	119.9°
H7A	C7	H7B	109.4°	109.5°
H7A	C7	H7C	109.4°	109.4°
H7B	C7	H7C	109.5°	109.5°
H9A	C9	H9B	109.5°	109.5°
H13B	C13	H13A	109.5°	109.4°
H1A	C1	H1B	109.4°	109.4°
H1A	C1	H1C	109.5°	109.5°
H1B	C1	H1C	109.5°	109.4°
H10A	C10	H10B	109.5°	109.5°
H12A	C12	H12B	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	N6	178.6°	179.8°
C1	C2	C3	C4	178.9°	180.0°
C1	C2	C3	N8	0.9°	0.1°
C1	C2	N6	N5	179.4°	179.8°
C2	C1	H1A	H1B	120.0°	120.0°
C2	C1	H1A	H1C	120.0°	120.1°
C2	C1	H1B	H1C	120.0°	120.1°
C1	C2	N6	H6	0.6°	0.2°
C2	C3	C4	N8	177.7°	179.8°
C2	C3	C4	N5	0.1°	0.0°
C2	C3	C4	C7	179.3°	179.8°
C3	C2	N6	N5	0.7°	0.4°
C2	C3	N8	C9	88.7°	125.7°
C2	C3	N8	C13	146.1°	110.1°
C3	C2	C1	H1A	90.9°	90.1°
C3	C2	C1	H1B	149.1°	150.0°
C3	C2	C1	H1C	29.1°	30.0°
C3	C2	N6	H6	179.3°	180.0°
N6	C2	C3	C4	0.3°	0.2°
N6	C2	C3	N8	177.7°	180.0°
C2	N6	N5	C4	0.7°	0.4°
C2	N6	N5	H6	180.0°	179.6°
N6	C2	C1	H1A	90.7°	89.7°
N6	C2	C1	H1B	29.3°	30.2°
N6	C2	C1	H1C	149.3°	150.2°
C3	C4	N5	C7	179.4°	179.7°
C3	C4	N5	N6	0.5°	0.3°
C4	C3	N8	C9	93.8°	54.5°
C4	C3	N8	C13	31.4°	69.7°
C3	C4	C7	H7A	179.3°	84.9°
C3	C4	C7	H7B	60.7°	35.2°
C3	C4	C7	H7C	59.3°	155.2°
N8	C3	C4	N5	177.8°	179.8°
N8	C3	C4	C7	1.5°	0.1°
C3	N8	C9	C13	127.1°	124.1°
C3	N8	C9	C10	168.9°	174.2°
C3	N8	C13	C12	170.7°	174.1°
C3	N8	C9	H9A	71.2°	65.8°
C3	N8	C9	H9B	49.1°	54.2°
C3	N8	C13	H13B	50.9°	54.1°
C3	N8	C13	H13A	69.4°	65.9°
N5	C4	C7	H7A	0.0°	95.5°
N5	C4	C7	H7B	120.0°	144.5°
N5	C4	C7	H7C	120.0°	24.4°
C4	N5	N6	H6	179.3°	180.0°
C7	C4	N5	N6	179.0°	180.0°
C4	C7	H7A	H7B	120.0°	120.0°
C4	C7	H7A	H7C	120.0°	119.9°
C4	C7	H7B	H7C	120.0°	120.0°
N8	C9	C10	H9A	119.8°	120.0°
N8	C9	C10	H9B	119.8°	120.0°
N8	C9	C10	C11	58.8°	59.2°
C9	N8	C13	C12	63.7°	61.7°
N8	C9	H9A	H9B	120.4°	120.0°
C9	N8	C13	H13B	176.5°	178.2°
C9	N8	C13	H13A	56.1°	58.2°
N8	C9	C10	H10A	178.9°	179.1°
N8	C9	C10	H10B	61.4°	60.8°
C13	N8	C9	C10	63.9°	61.7°
N8	C13	C12	C11	58.7°	59.2°
N8	C13	C12	H13B	119.8°	120.1°
N8	C13	C12	H13A	119.8°	120.0°
C13	N8	C9	H9A	55.9°	58.3°
C13	N8	C9	H9B	176.2°	178.3°
N8	C13	H13B	H13A	120.5°	120.0°
N8	C13	C12	H12A	178.9°	60.8°
N8	C13	C12	H12B	61.5°	179.1°
C9	C10	C11	H10A	120.2°	120.0°
C9	C10	C11	H10B	120.2°	120.0°
C9	C10	C11	C12	54.6°	57.7°
C9	C10	C11	C14	175.5°	177.6°
C10	C9	H9A	H9B	120.4°	120.0°
C9	C10	H10A	H10B	119.5°	120.1°
C9	C10	C11	H11	64.8°	62.2°
C10	C11	C12	C14	120.8°	119.9°
C10	C11	C12	H11	119.4°	119.9°
C10	C11	C14	H11	119.5°	120.2°
C10	C11	C12	C13	54.6°	57.7°
C10	C11	C14	C15	110.8°	120.0°
C10	C11	C14	C19	68.3°	60.0°
C11	C10	C9	H9A	61.1°	60.8°
C11	C10	C9	H9B	178.6°	179.2°
C11	C10	H10A	H10B	119.5°	120.0°
C10	C11	C12	H12A	174.8°	62.3°
C10	C11	C12	H12B	65.6°	177.6°
C12	C11	C14	H11	119.6°	120.2°
C11	C12	C13	H12A	120.2°	120.0°
C11	C12	C13	H12B	120.2°	119.9°
C12	C11	C14	C15	128.2°	120.4°
C12	C11	C14	C19	52.7°	59.7°
C11	C12	C13	H13B	178.5°	179.3°
C11	C12	C13	H13A	61.1°	60.8°
C12	C11	C10	H10A	174.8°	177.7°
C12	C11	C10	H10B	65.6°	62.3°
C11	C12	H12A	H12B	119.3°	120.1°
C14	C11	C12	C13	175.4°	177.6°
C11	C14	C15	C19	179.1°	180.0°
C11	C14	C15	C16	179.8°	180.0°
C11	C14	C19	C18	179.5°	180.0°
C11	C14	C19	H19	0.5°	0.0°
C14	C11	C10	H10A	64.3°	62.5°
C14	C11	C10	H10B	55.3°	57.6°
C14	C11	C12	H12A	64.4°	57.6°
C14	C11	C12	H12B	55.2°	62.6°
C11	C14	C15	H15	0.2°	0.0°
C12	C13	H13B	H13A	120.5°	120.0°
C13	C12	C11	H11	64.8°	62.2°
C13	C12	H12A	H12B	119.4°	120.1°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	C17	0.6°	0.2°
C15	C14	C19	C18	0.4°	0.0°
C14	C15	C16	H16	179.4°	179.8°
C15	C14	C19	H19	179.6°	179.9°
C15	C14	C11	H11	8.6°	0.2°
C19	C14	C15	C16	0.7°	0.0°
C14	C19	C18	C17	0.0°	0.2°
C14	C19	C18	H19	180.0°	179.9°
C14	C19	C18	H18	180.0°	180.0°
C19	C14	C11	H11	172.2°	179.8°
C19	C14	C15	H15	179.4°	180.0°
C15	C16	C17	H16	180.0°	179.5°
C15	C16	C17	C18	0.1°	0.5°
C15	C16	C17	H17	179.9°	180.0°
C16	C17	C18	H17	180.0°	179.5°
C16	C17	C18	C19	0.1°	0.5°
C16	C17	C18	H18	179.9°	179.7°
C17	C16	C15	H15	179.5°	179.7°
C17	C18	C19	H18	180.0°	179.8°
C18	C17	C16	H16	179.8°	180.0°
C17	C18	C19	H19	180.0°	179.7°
C19	C18	C17	H17	179.9°	180.0°
H7A	C7	H7B	H7C	119.9°	120.0°
H9A	C9	C10	H10A	59.1°	59.2°
H9A	C9	C10	H10B	178.7°	179.3°
H9B	C9	C10	H10A	61.2°	60.9°
H9B	C9	C10	H10B	58.4°	59.2°
H13B	C13	C12	H12A	61.3°	59.3°
H13B	C13	C12	H12B	58.3°	60.9°
H13A	C13	C12	H12A	59.1°	179.2°
H13A	C13	C12	H12B	178.7°	59.1°
H18	C18	C19	H19	0.0°	0.1°
H18	C18	C17	H17	0.1°	0.2°
H16	C16	C15	H15	0.5°	0.2°
H16	C16	C17	H17	0.2°	0.5°
H1A	C1	H1B	H1C	120.0°	120.0°
H10A	C10	C11	H11	55.3°	57.8°
H10B	C10	C11	H11	175.0°	177.8°
H11	C11	C12	H12A	55.4°	177.8°
H11	C11	C12	H12B	175.0°	57.7°

Release date:	2026-10-07
Definition date:	2026-07-16
Last modified:	2026-10-02
Release status:	REL
Processing site:	RCSB
Derived from:	37DK