A1CU9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.49Å
N1	C2	sing	1.44Å	1.50Å
C2	C3	sing	1.54Å	1.50Å
C3	C4	sing	1.54Å	1.50Å
C4	N2	sing	1.44Å	1.46Å
N2	C5	sing	1.48Å	1.46Å
C5	C6	sing	1.46Å	1.52Å
N1	C6	sing	1.48Å	1.51Å
N2	C7	sing	1.39Å	1.37Å
C7	C8	doub	1.39Å	1.41Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C9	C10	doub	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.40Å	1.40Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C7	C12	sing	1.39Å	1.41Å	Aromatic
C10	C13	sing	1.43Å	1.44Å
C13	N3	trip	1.14Å	1.14Å
C12	H18	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H17	sing	1.08Å	1.08Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.08Å	1.08Å
C9	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	110.3°	111.0°
C1	N1	C6	109.3°	111.0°
N1	C1	H1	109.5°	109.4°
N1	C1	H2	109.5°	109.5°
N1	C1	H3	109.5°	109.5°
N1	C2	C3	114.7°	112.6°
C2	N1	C6	112.1°	109.9°
N1	C2	H5	108.1°	108.9°
N1	C2	H6	108.2°	108.8°
C2	C3	C4	115.1°	111.7°
C3	C2	H5	108.1°	108.9°
C3	C2	H6	108.2°	108.9°
C2	C3	H7	108.0°	109.0°
C2	C3	H8	108.0°	109.0°
C3	C4	N2	114.0°	112.6°
C4	C3	H7	108.0°	109.0°
C4	C3	H8	108.1°	109.0°
C3	C4	H10	108.4°	108.9°
C3	C4	H9	108.4°	108.9°
C4	N2	C5	117.8°	109.9°
C4	N2	C7	120.4°	111.0°
N2	C4	H10	108.3°	108.8°
N2	C4	H9	108.3°	108.8°
N2	C5	C6	122.7°	112.1°
C5	N2	C7	121.8°	111.0°
N2	C5	H11	106.1°	108.9°
N2	C5	H12	106.1°	109.0°
C5	C6	N1	116.0°	112.2°
C6	C5	H11	106.1°	108.9°
C6	C5	H12	106.1°	108.9°
C5	C6	H13	107.8°	108.9°
C5	C6	H14	107.8°	109.0°
N1	C6	H13	107.8°	109.0°
N1	C6	H14	107.8°	108.8°
N2	C7	C8	120.6°	119.9°
N2	C7	C12	121.8°	120.0°
C7	C8	C9	121.1°	120.1°
C8	C7	C12	117.7°	120.1°
C7	C8	H15	119.5°	119.9°
C8	C9	C10	120.3°	119.9°
C9	C8	H15	119.5°	120.0°
C8	C9	H16	119.8°	120.1°
C9	C10	C11	119.6°	119.9°
C9	C10	C13	120.2°	120.0°
C10	C9	H16	119.9°	120.0°
C10	C11	C12	120.1°	119.9°
C11	C10	C13	120.1°	120.1°
C10	C11	H17	120.0°	120.1°
C11	C12	C7	121.3°	120.1°
C11	C12	H18	119.4°	120.0°
C12	C11	H17	119.9°	120.0°
C7	C12	H18	119.4°	119.9°
C10	C13	N3	179.0°	180.0°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H5	C2	H6	109.5°	108.7°
H7	C3	H8	109.5°	108.9°
H10	C4	H9	109.4°	108.8°
H11	C5	H12	109.4°	108.9°
H13	C6	H14	109.5°	108.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C6	122.0°	123.2°
C1	N1	C2	C3	175.9°	142.5°
C1	N1	C6	C5	163.2°	156.5°
N1	C1	H1	H2	120.0°	120.0°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H2	H3	120.0°	120.0°
C1	N1	C2	H5	55.1°	96.7°
C1	N1	C2	H6	63.3°	21.7°
C1	N1	C6	H13	42.2°	35.8°
C1	N1	C6	H14	75.9°	82.9°
N1	C2	C3	H5	120.8°	120.9°
N1	C2	C3	H6	120.8°	120.8°
N1	C2	C3	C4	72.7°	41.1°
C2	N1	C6	C5	74.3°	80.3°
C2	N1	C1	H1	180.0°	60.0°
C2	N1	C1	H2	60.0°	180.0°
C2	N1	C1	H3	60.0°	60.0°
N1	C2	H5	H6	117.6°	118.4°
N1	C2	C3	H7	48.1°	79.5°
N1	C2	C3	H8	166.5°	161.7°
C2	N1	C6	H13	164.8°	158.9°
C2	N1	C6	H14	46.7°	40.3°
C2	C3	C4	H7	120.8°	120.6°
C2	C3	C4	H8	120.8°	120.6°
C2	C3	C4	N2	86.8°	41.1°
C3	C2	N1	C6	62.1°	94.3°
C3	C2	H5	H6	117.6°	118.5°
C2	C3	H7	H8	117.4°	118.9°
C2	C3	C4	H10	152.5°	161.8°
C2	C3	C4	H9	33.8°	79.7°
C3	C4	N2	H10	120.7°	120.8°
C3	C4	N2	H9	120.7°	120.8°
C3	C4	N2	C5	54.9°	94.3°
C3	C4	N2	C7	123.6°	142.5°
C4	C3	C2	H5	166.6°	79.8°
C4	C3	C2	H6	48.1°	161.8°
C4	C3	H7	H8	117.5°	118.9°
C3	C4	H10	H9	118.0°	118.5°
C4	N2	C5	C7	178.5°	123.2°
C4	N2	C5	C6	11.4°	80.3°
C4	N2	C7	C8	31.1°	62.4°
C4	N2	C7	C12	148.7°	117.5°
N2	C4	C3	H7	34.0°	161.7°
N2	C4	C3	H8	152.3°	79.5°
N2	C4	H10	H9	117.9°	118.4°
C4	N2	C5	H11	110.5°	40.3°
C4	N2	C5	H12	133.2°	159.0°
N2	C5	C6	H11	121.8°	120.6°
N2	C5	C6	H12	121.8°	120.7°
N2	C5	C6	N1	69.5°	60.7°
C5	N2	C7	C8	147.3°	60.2°
C5	N2	C7	C12	32.9°	119.9°
C5	N2	C4	H10	175.6°	144.9°
C5	N2	C4	H9	65.8°	26.5°
N2	C5	H11	H12	114.1°	118.8°
N2	C5	C6	H13	169.6°	178.6°
N2	C5	C6	H14	51.5°	59.9°
C5	C6	N1	H13	120.9°	120.7°
C5	C6	N1	H14	120.9°	120.6°
C6	C5	N2	C7	170.2°	156.5°
C6	C5	H11	H12	114.1°	118.7°
C5	C6	H13	H14	117.0°	118.7°
C6	N1	C1	H1	56.4°	177.4°
C6	N1	C1	H2	63.7°	57.4°
C6	N1	C1	H3	176.4°	62.5°
C6	N1	C2	H5	177.1°	26.5°
C6	N1	C2	H6	58.7°	144.9°
N1	C6	C5	H11	52.4°	60.0°
N1	C6	C5	H12	168.7°	178.6°
N1	C6	H13	H14	117.0°	118.6°
N2	C7	C8	C12	179.8°	179.9°
N2	C7	C8	C9	179.7°	180.0°
N2	C7	C12	C11	179.8°	179.7°
N2	C7	C12	H18	0.2°	0.0°
C7	N2	C4	H10	2.9°	21.7°
C7	N2	C4	H9	115.7°	96.7°
C7	N2	C5	H11	68.0°	82.9°
C7	N2	C5	H12	48.3°	35.8°
N2	C7	C8	H15	0.3°	0.1°
C7	C8	C9	H15	180.0°	179.9°
C7	C8	C9	C10	0.0°	0.3°
C8	C7	C12	C11	0.4°	0.2°
C8	C7	C12	H18	179.6°	179.9°
C7	C8	C9	H16	179.9°	180.0°
C8	C9	C10	H16	180.0°	179.8°
C8	C9	C10	C11	0.8°	0.2°
C9	C8	C7	C12	0.5°	0.1°
C8	C9	C10	C13	178.6°	179.7°
C9	C10	C11	C13	177.8°	179.9°
C9	C10	C11	C12	0.9°	0.1°
C9	C10	C13	N3	111.9°	91.3°
C9	C10	C11	H17	179.1°	180.0°
C10	C9	C8	H15	179.9°	179.8°
C10	C11	C12	H17	180.0°	179.9°
C10	C11	C12	C7	0.3°	0.3°
C11	C10	C13	N3	66.0°	88.9°
C10	C11	C12	H18	179.7°	180.0°
C11	C10	C9	H16	179.2°	180.0°
C11	C12	C7	H18	180.0°	179.7°
C12	C11	C10	C13	178.7°	180.0°
C7	C12	C11	H17	179.7°	179.8°
C12	C7	C8	H15	179.5°	180.0°
C13	C10	C11	H17	1.3°	0.1°
C13	C10	C9	H16	1.4°	0.1°
H18	C12	C11	H17	0.3°	0.1°
H1	C1	H2	H3	120.0°	120.1°
H5	C2	C3	H7	72.6°	159.6°
H5	C2	C3	H8	45.7°	40.8°
H6	C2	C3	H7	168.9°	41.2°
H6	C2	C3	H8	72.7°	77.6°
H7	C3	C4	H10	86.7°	77.6°
H7	C3	C4	H9	154.7°	40.9°
H8	C3	C4	H10	31.7°	41.3°
H8	C3	C4	H9	87.0°	159.7°
H11	C5	C6	H13	68.6°	60.8°
H11	C5	C6	H14	173.3°	179.5°
H12	C5	C6	H13	47.7°	57.9°
H12	C5	C6	H14	70.4°	60.8°
H15	C8	C9	H16	0.1°	0.0°

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