A1CU4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.51Å	1.50Å
C6	C8	doub	1.39Å	1.40Å	Aromatic
C2	C8	sing	1.39Å	1.40Å	Aromatic
C8	N1	sing	1.40Å	1.44Å
N1	C9	sing	1.35Å	1.34Å
C9	S1	doub	1.71Å	1.68Å
C9	N2	sing	1.35Å	1.33Å
N2	C10	sing	1.46Å	1.46Å
C10	C11	sing	1.51Å	1.51Å
C11	C12	doub	1.39Å	1.38Å	Aromatic
C12	C13	sing	1.39Å	1.38Å	Aromatic
C13	C14	doub	1.38Å	1.37Å	Aromatic
C14	N3	sing	1.32Å	1.34Å	Aromatic
N3	C15	doub	1.32Å	1.34Å	Aromatic
C11	C15	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.08Å	1.08Å
C13	H15	sing	1.08Å	1.08Å
C14	H16	sing	1.08Å	1.08Å
C15	H17	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
N1	H10	sing	0.97Å	1.00Å
N2	H11	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	120.6°	120.0°
C1	C2	C8	121.7°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.4°	109.5°
C2	C3	C4	121.2°	120.1°
C3	C2	C8	117.7°	119.9°
C2	C3	H4	119.4°	119.9°
C3	C4	C5	120.0°	120.2°
C4	C3	H4	119.4°	120.0°
C3	C4	H5	120.0°	119.9°
C4	C5	C6	121.2°	120.1°
C5	C4	H5	120.0°	120.0°
C4	C5	H6	119.4°	120.0°
C5	C6	C7	120.6°	120.0°
C5	C6	C8	117.7°	119.9°
C6	C5	H6	119.4°	120.0°
C7	C6	C8	121.6°	120.0°
C6	C7	H7	109.5°	109.5°
C6	C7	H8	109.5°	109.5°
C6	C7	H9	109.5°	109.5°
C6	C8	C2	122.1°	119.9°
C6	C8	N1	118.9°	120.1°
C2	C8	N1	119.0°	120.1°
C8	N1	C9	124.7°	120.0°
C8	N1	H10	117.7°	120.0°
N1	C9	S1	125.2°	120.0°
N1	C9	N2	112.3°	120.0°
C9	N1	H10	117.7°	120.0°
S1	C9	N2	122.5°	120.0°
C9	N2	C10	124.7°	120.0°
C9	N2	H11	117.6°	119.9°
N2	C10	C11	112.7°	109.5°
N2	C10	H12	108.6°	109.5°
N2	C10	H13	108.7°	109.4°
C10	N2	H11	117.7°	120.0°
C10	C11	C12	122.0°	120.4°
C10	C11	C15	120.9°	120.4°
C11	C10	H12	108.7°	109.5°
C11	C10	H13	108.6°	109.4°
C11	C12	C13	120.0°	118.4°
C12	C11	C15	117.1°	119.2°
C11	C12	H14	120.0°	120.8°
C12	C13	C14	118.6°	119.1°
C13	C12	H14	120.0°	120.7°
C12	C13	H15	120.7°	120.5°
C13	C14	N3	123.0°	120.8°
C14	C13	H15	120.7°	120.4°
C13	C14	H16	118.5°	119.6°
C14	N3	C15	117.2°	121.7°
N3	C14	H16	118.5°	119.6°
N3	C15	C11	124.1°	120.7°
N3	C15	H17	117.9°	119.6°
C11	C15	H17	118.0°	119.6°
H1	C1	H2	109.4°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H12	C10	H13	109.5°	109.5°
H7	C7	H8	109.5°	109.4°
H7	C7	H9	109.4°	109.5°
H8	C7	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C8	179.9°	179.8°
C1	C2	C3	C4	179.8°	180.0°
C1	C2	C8	C6	179.6°	179.7°
C1	C2	C8	N1	0.8°	0.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.1°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	C3	H4	0.1°	0.0°
C2	C3	C4	H4	180.0°	179.9°
C2	C3	C4	C5	0.1°	0.1°
C3	C2	C8	C6	0.5°	0.5°
C3	C2	C8	N1	179.3°	179.7°
C3	C2	C1	H1	90.0°	90.0°
C3	C2	C1	H2	150.0°	150.0°
C3	C2	C1	H3	30.0°	30.1°
C2	C3	C4	H5	179.9°	180.0°
C3	C4	C5	H5	180.0°	179.8°
C3	C4	C5	C6	0.3°	0.1°
C4	C3	C2	C8	0.3°	0.2°
C3	C4	C5	H6	179.7°	179.9°
C4	C5	C6	H6	180.0°	179.9°
C4	C5	C6	C7	180.0°	180.0°
C4	C5	C6	C8	0.1°	0.2°
C5	C4	C3	H4	179.8°	179.9°
C5	C6	C7	C8	179.9°	179.8°
C5	C6	C8	C2	0.3°	0.5°
C5	C6	C8	N1	179.1°	179.7°
C6	C5	C4	H5	179.7°	180.0°
C5	C6	C7	H7	89.9°	96.3°
C5	C6	C7	H8	150.1°	143.7°
C5	C6	C7	H9	30.0°	23.7°
C7	C6	C8	C2	179.6°	179.7°
C7	C6	C8	N1	0.8°	0.1°
C7	C6	C5	H6	0.0°	0.0°
C6	C7	H7	H8	120.0°	120.0°
C6	C7	H7	H9	120.0°	120.0°
C6	C7	H8	H9	120.0°	120.1°
C6	C8	C2	N1	178.7°	179.8°
C6	C8	N1	C9	100.5°	76.1°
C8	C6	C5	H6	179.9°	179.8°
C8	C6	C7	H7	89.9°	83.5°
C8	C6	C7	H8	30.1°	36.5°
C8	C6	C7	H9	150.1°	156.5°
C6	C8	N1	H10	79.5°	103.8°
C2	C8	N1	C9	80.7°	104.1°
C8	C2	C1	H1	89.9°	90.2°
C8	C2	C1	H2	30.1°	29.8°
C8	C2	C1	H3	150.1°	149.7°
C8	C2	C3	H4	179.8°	179.7°
C2	C8	N1	H10	99.3°	76.0°
C8	N1	C9	H10	180.0°	179.9°
C8	N1	C9	S1	0.2°	4.7°
C8	N1	C9	N2	179.2°	175.3°
N1	C9	S1	N2	179.4°	180.0°
N1	C9	N2	C10	180.0°	180.0°
N1	C9	N2	H11	0.0°	0.0°
S1	C9	N2	C10	0.5°	0.1°
S1	C9	N1	H10	179.8°	175.4°
S1	C9	N2	H11	179.5°	180.0°
C9	N2	C10	H11	180.0°	179.9°
C9	N2	C10	C11	105.7°	180.0°
C9	N2	C10	H12	14.8°	60.0°
C9	N2	C10	H13	133.8°	60.0°
N2	C9	N1	H10	0.8°	4.6°
N2	C10	C11	H12	120.5°	120.1°
N2	C10	C11	H13	120.5°	120.0°
N2	C10	C11	C12	90.9°	90.0°
N2	C10	C11	C15	88.5°	90.3°
N2	C10	H12	H13	118.5°	120.0°
C10	C11	C12	C15	179.4°	179.7°
C10	C11	C12	C13	179.8°	180.0°
C10	C11	C15	N3	179.6°	179.7°
C11	C10	H12	H13	118.5°	120.0°
C10	C11	C12	H14	0.2°	0.0°
C10	C11	C15	H17	0.4°	0.0°
C11	C10	N2	H11	74.3°	0.1°
C11	C12	C13	H14	180.0°	179.9°
C11	C12	C13	C14	0.2°	0.1°
C12	C11	C15	N3	0.1°	0.6°
C12	C11	C10	H12	29.6°	149.9°
C12	C11	C10	H13	148.6°	30.0°
C11	C12	C13	H15	179.8°	180.0°
C12	C11	C15	H17	179.8°	179.7°
C12	C13	C14	H15	180.0°	180.0°
C12	C13	C14	N3	0.2°	0.1°
C13	C12	C11	C15	0.4°	0.3°
C12	C13	C14	H16	179.8°	180.0°
C13	C14	N3	H16	180.0°	179.9°
C13	C14	N3	C15	0.4°	0.4°
C14	C13	C12	H14	179.8°	180.0°
C14	N3	C15	C11	0.3°	0.7°
N3	C14	C13	H15	179.8°	179.9°
C14	N3	C15	H17	179.8°	179.7°
N3	C15	C11	H17	180.0°	179.6°
C15	N3	C14	H16	179.6°	179.7°
C15	C11	C10	H12	151.0°	29.7°
C15	C11	C10	H13	32.0°	149.7°
C15	C11	C12	H14	179.6°	179.7°
H1	C1	H2	H3	120.0°	120.0°
H12	C10	N2	H11	165.2°	120.0°
H13	C10	N2	H11	46.2°	120.0°
H14	C12	C13	H15	0.2°	0.0°
H15	C13	C14	H16	0.2°	0.0°
H4	C3	C4	H5	0.2°	0.1°
H5	C4	C5	H6	0.3°	0.1°
H7	C7	H8	H9	120.0°	119.9°

Release date:	2026-02-18
Definition date:	2025-09-23
Last modified:	2026-02-13
Release status:	REL
Processing site:	RCSB
Derived from:	13NS