A1CDP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	sing	1.53Å	1.51Å
C14	C9	sing	1.53Å	1.53Å
C13	N12	sing	1.47Å	1.49Å
N8	C9	sing	1.47Å	1.45Å
N8	C7	sing	1.40Å	1.39Å
N12	C11	sing	1.47Å	1.49Å
C9	C10	sing	1.53Å	1.51Å
C7	C6	doub	1.39Å	1.39Å	Aromatic
C7	C2	sing	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
F1	C2	sing	1.35Å	1.35Å
C2	C3	doub	1.38Å	1.37Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.53Å	1.52Å
C3	C4	sing	1.38Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å
N12	H12B	sing	1.01Å	1.00Å
C13	H13A	sing	1.09Å	1.10Å
C13	H13B	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C11	H11B	sing	1.09Å	1.10Å
C14	H14B	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
N8	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C14	C9	110.1°	109.2°
C14	C13	N12	110.5°	109.5°
C14	C13	H13A	109.2°	109.4°
C14	C13	H13B	109.2°	109.5°
C13	C14	H14B	109.3°	109.5°
C13	C14	H14A	109.3°	109.5°
C14	C9	N8	110.2°	109.5°
C14	C9	C10	110.3°	109.2°
C9	C14	H14B	109.3°	109.5°
C9	C14	H14A	109.3°	109.5°
C14	C9	H9	106.7°	109.5°
C13	N12	C11	112.6°	111.2°
C13	N12	H12B	108.7°	111.0°
N12	C13	H13A	109.2°	109.5°
N12	C13	H13B	109.2°	109.5°
C9	N8	C7	131.8°	120.0°
N8	C9	C10	114.8°	109.5°
N8	C9	H9	107.6°	109.6°
C9	N8	H8	103.6°	120.1°
N8	C7	C6	124.1°	120.1°
N8	C7	C2	118.3°	120.1°
C7	N8	H8	103.6°	120.0°
N12	C11	C10	110.7°	109.5°
C11	N12	H12B	108.7°	111.0°
N12	C11	H11A	109.2°	109.5°
N12	C11	H11B	109.2°	109.5°
C9	C10	C11	112.4°	109.3°
C9	C10	H10A	108.7°	109.5°
C9	C10	H10B	108.7°	109.5°
C10	C9	H9	106.8°	109.5°
C6	C7	C2	117.1°	119.8°
C7	C6	C5	120.4°	120.0°
C7	C6	H6	119.8°	120.0°
C7	C2	F1	118.1°	120.1°
C7	C2	C3	123.3°	119.9°
C6	C5	C4	120.5°	120.1°
C6	C5	H5	119.7°	119.9°
C5	C6	H6	119.8°	120.0°
F1	C2	C3	118.6°	120.0°
C2	C3	C4	118.4°	120.0°
C2	C3	H3	120.8°	120.0°
C5	C4	C3	120.3°	120.2°
C5	C4	H4	119.9°	119.9°
C4	C5	H5	119.8°	120.0°
C11	C10	H10A	108.7°	109.5°
C11	C10	H10B	108.7°	109.5°
C10	C11	H11A	109.2°	109.5°
C10	C11	H11B	109.1°	109.5°
C3	C4	H4	119.9°	119.9°
C4	C3	H3	120.8°	119.9°
H10A	C10	H10B	109.5°	109.5°
H13A	C13	H13B	109.5°	109.5°
H11A	C11	H11B	109.5°	109.4°
H14B	C14	H14A	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C14	C9	H14B	120.1°	119.9°
C13	C14	C9	H14A	120.1°	119.9°
C14	C13	N12	H13A	120.2°	119.9°
C14	C13	N12	H13B	120.2°	120.0°
C13	C14	C9	N8	158.2°	177.5°
C14	C13	N12	C11	36.2°	61.8°
C13	C14	C9	C10	30.4°	57.6°
C14	C13	N12	H12B	156.7°	174.1°
C14	C13	H13A	H13B	119.6°	120.0°
C13	C14	H14B	H14A	119.7°	120.1°
C13	C14	C9	H9	85.3°	62.3°
C9	C14	C13	N12	67.6°	59.2°
C14	C9	N8	C10	125.3°	119.7°
C14	C9	N8	H9	116.0°	120.1°
C14	C9	N8	C7	143.5°	155.0°
C14	C9	C10	H9	115.6°	119.9°
C14	C9	C10	C11	31.5°	57.7°
C14	C9	C10	H10A	151.9°	177.6°
C14	C9	C10	H10B	89.0°	62.3°
C9	C14	C13	H13A	52.6°	179.2°
C9	C14	C13	H13B	172.3°	60.8°
C9	C14	H14B	H14A	119.7°	120.1°
C14	C9	N8	H8	93.7°	25.0°
C13	N12	C11	H12B	120.5°	124.1°
C13	N12	C11	C10	25.8°	61.7°
N12	C13	H13A	H13B	119.5°	120.0°
C13	N12	C11	H11A	146.0°	178.2°
C13	N12	C11	H11B	94.4°	58.3°
N12	C13	C14	H14B	52.5°	60.7°
N12	C13	C14	H14A	172.4°	179.1°
C9	N8	C7	H8	122.8°	180.0°
N8	C9	C10	H9	119.2°	120.2°
C9	N8	C7	C6	147.2°	0.0°
C9	N8	C7	C2	41.5°	180.0°
N8	C9	C10	C11	93.8°	177.5°
N8	C9	C10	H10A	26.7°	62.5°
N8	C9	C10	H10B	145.8°	57.6°
N8	C9	C14	H14B	38.1°	57.6°
N8	C9	C14	H14A	81.7°	62.6°
C7	N8	C9	C10	91.3°	85.4°
N8	C7	C6	C2	171.4°	179.9°
N8	C7	C6	C5	171.7°	179.9°
N8	C7	C2	F1	7.0°	0.0°
N8	C7	C2	C3	172.2°	179.8°
N8	C7	C6	H6	8.3°	0.0°
C7	N8	C9	H9	27.5°	34.8°
N12	C11	C10	C9	62.9°	59.2°
N12	C11	C10	H11A	120.2°	120.0°
N12	C11	C10	H11B	120.2°	120.0°
N12	C11	C10	H10A	176.7°	179.1°
N12	C11	C10	H10B	57.6°	60.8°
C11	N12	C13	H13A	84.0°	178.3°
C11	N12	C13	H13B	156.4°	58.2°
N12	C11	H11A	H11B	119.4°	120.0°
C9	C10	C11	H10A	120.4°	120.0°
C9	C10	C11	H10B	120.5°	120.0°
C9	C10	H10A	H10B	118.7°	120.1°
C9	C10	C11	H11A	176.9°	179.2°
C9	C10	C11	H11B	57.3°	60.9°
C10	C9	C14	H14B	89.7°	62.3°
C10	C9	C14	H14A	150.5°	177.6°
C10	C9	N8	H8	31.6°	94.7°
C7	C6	C5	H6	180.0°	179.9°
C6	C7	C2	F1	178.9°	180.0°
C6	C7	C2	C3	0.3°	0.3°
C7	C6	C5	C4	0.2°	0.1°
C7	C6	C5	H5	179.8°	180.0°
C6	C7	N8	H8	24.4°	180.0°
C2	C7	C6	C5	0.4°	0.0°
C7	C2	F1	C3	179.3°	179.7°
C7	C2	C3	C4	0.2°	0.6°
C2	C7	C6	H6	179.7°	179.9°
C7	C2	C3	H3	179.8°	180.0°
C2	C7	N8	H8	164.3°	0.1°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	C3	0.1°	0.2°
C6	C5	C4	H4	179.9°	179.9°
F1	C2	C3	C4	179.1°	179.7°
F1	C2	C3	H3	0.9°	0.2°
C2	C3	C4	C5	0.1°	0.5°
C2	C3	C4	H3	180.0°	179.5°
C2	C3	C4	H4	180.0°	179.8°
C5	C4	C3	H4	180.0°	179.7°
C4	C5	C6	H6	179.8°	180.0°
C5	C4	C3	H3	179.9°	180.0°
C11	C10	H10A	H10B	118.7°	120.0°
C10	C11	N12	H12B	94.7°	174.2°
C10	C11	H11A	H11B	119.4°	120.0°
C11	C10	C9	H9	147.1°	62.2°
C3	C4	C5	H5	179.9°	179.7°
H4	C4	C5	H5	0.1°	0.0°
H4	C4	C3	H3	0.0°	0.3°
H5	C5	C6	H6	0.2°	0.1°
H10A	C10	C11	H11A	56.5°	60.8°
H10A	C10	C11	H11B	63.1°	59.1°
H10A	C10	C9	H9	92.5°	57.7°
H10B	C10	C11	H11A	62.6°	59.2°
H10B	C10	C11	H11B	177.8°	179.1°
H10B	C10	C9	H9	26.6°	177.8°
H12B	N12	C13	H13A	36.5°	54.2°
H12B	N12	C13	H13B	83.2°	65.9°
H12B	N12	C11	H11A	25.6°	54.2°
H12B	N12	C11	H11B	145.2°	65.8°
H13A	C13	C14	H14B	172.7°	59.2°
H13A	C13	C14	H14A	67.5°	60.9°
H13B	C13	C14	H14B	67.6°	179.2°
H13B	C13	C14	H14A	52.2°	59.1°
H14B	C14	C9	H9	154.6°	177.8°
H14A	C14	C9	H9	34.8°	57.6°
H9	C9	N8	H8	150.3°	145.1°

Release date:	2025-11-12
Definition date:	2025-05-21
Last modified:	2025-11-07
Release status:	REL
Processing site:	RCSB
Derived from:	7IB5