A1CXD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C2	O1	doub	1.21Å	1.23Å
C2	N1	sing	1.35Å	1.36Å
N1	C3	sing	1.40Å	1.41Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C7	C8	doub	1.39Å	1.39Å	Aromatic
C3	C8	sing	1.40Å	1.42Å	Aromatic
C8	N2	sing	1.40Å	1.42Å
N2	C9	sing	1.47Å	1.47Å
C9	C10	sing	1.53Å	1.51Å
C10	O2	sing	1.43Å	1.42Å
O2	C11	sing	1.43Å	1.42Å
C11	C12	sing	1.53Å	1.51Å
N2	C12	sing	1.47Å	1.47Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C7	H8	sing	1.08Å	1.08Å
C9	H10	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	O1	121.6°	120.0°
C1	C2	N1	115.8°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.4°	109.5°
O1	C2	N1	122.6°	120.0°
C2	N1	C3	130.9°	120.0°
C2	N1	H4	114.6°	120.1°
N1	C3	C4	120.0°	120.1°
N1	C3	C8	119.9°	120.1°
C3	N1	H4	114.5°	120.0°
C3	C4	C5	120.1°	120.0°
C4	C3	C8	120.2°	119.8°
C3	C4	H5	120.0°	120.1°
C4	C5	C6	120.4°	120.2°
C5	C4	H5	119.9°	120.0°
C4	C5	H6	119.8°	119.9°
C5	C6	C7	120.4°	120.2°
C6	C5	H6	119.8°	119.9°
C5	C6	H7	119.8°	119.9°
C6	C7	C8	121.0°	120.0°
C7	C6	H7	119.8°	119.9°
C6	C7	H8	119.5°	120.0°
C7	C8	C3	117.9°	119.8°
C7	C8	N2	116.9°	120.1°
C8	C7	H8	119.5°	120.0°
C3	C8	N2	125.3°	120.1°
C8	N2	C9	123.8°	111.0°
C8	N2	C12	120.9°	111.0°
N2	C9	C10	109.6°	109.3°
C9	N2	C12	115.3°	110.7°
N2	C9	H10	109.5°	109.5°
N2	C9	H9	109.5°	109.6°
C9	C10	O2	111.6°	109.3°
C10	C9	H10	109.4°	109.5°
C10	C9	H9	109.4°	109.5°
C9	C10	H11	108.9°	109.5°
C9	C10	H12	108.9°	109.5°
C10	O2	C11	109.8°	113.7°
O2	C10	H11	108.9°	109.5°
O2	C10	H12	108.9°	109.5°
O2	C11	C12	111.4°	109.2°
O2	C11	H13	109.0°	109.5°
O2	C11	H14	109.0°	109.6°
C11	C12	N2	109.6°	109.3°
C12	C11	H13	109.0°	109.5°
C12	C11	H14	109.0°	109.6°
C11	C12	H15	109.4°	109.5°
C11	C12	H16	109.4°	109.5°
N2	C12	H15	109.4°	109.6°
N2	C12	H16	109.5°	109.5°
H13	C11	H14	109.5°	109.5°
H10	C9	H9	109.5°	109.5°
H11	C10	H12	109.5°	109.5°
H15	C12	H16	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	O1	N1	179.7°	179.9°
C1	C2	N1	C3	2.5°	176.2°
C1	C2	N1	H4	177.5°	3.8°
C2	C1	H1	H2	120.0°	120.1°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
O1	C2	N1	C3	177.2°	3.7°
O1	C2	N1	H4	2.8°	176.3°
O1	C2	C1	H1	0.0°	0.0°
O1	C2	C1	H2	120.0°	120.1°
O1	C2	C1	H3	120.0°	119.9°
C2	N1	C3	H4	180.0°	180.0°
C2	N1	C3	C4	79.6°	25.6°
C2	N1	C3	C8	101.0°	154.9°
N1	C2	C1	H1	179.7°	179.9°
N1	C2	C1	H2	60.3°	60.0°
N1	C2	C1	H3	59.7°	60.0°
N1	C3	C4	C8	179.4°	179.5°
N1	C3	C4	C5	179.9°	180.0°
N1	C3	C8	C7	178.9°	180.0°
N1	C3	C8	N2	0.3°	0.2°
N1	C3	C4	H5	0.1°	0.3°
C3	C4	C5	H5	180.0°	179.7°
C3	C4	C5	C6	1.1°	0.3°
C4	C3	C8	C7	0.5°	0.5°
C4	C3	C8	N2	179.1°	179.7°
C3	C4	C5	H6	178.8°	179.7°
C4	C3	N1	H4	100.4°	154.4°
C4	C5	C6	H6	180.0°	179.9°
C4	C5	C6	C7	0.8°	0.1°
C5	C4	C3	C8	0.5°	0.6°
C4	C5	C6	H7	179.2°	179.9°
C5	C6	C7	H7	180.0°	180.0°
C5	C6	C7	C8	0.2°	0.0°
C6	C5	C4	H5	178.8°	180.0°
C5	C6	C7	H8	179.8°	180.0°
C6	C7	C8	H8	180.0°	180.0°
C6	C7	C8	C3	0.8°	0.2°
C6	C7	C8	N2	179.6°	180.0°
C7	C6	C5	H6	179.2°	180.0°
C7	C8	C3	N2	178.7°	179.8°
C7	C8	N2	C9	144.4°	114.0°
C7	C8	N2	C12	33.8°	9.6°
C8	C7	C6	H7	179.8°	180.0°
C3	C8	N2	C9	36.9°	65.8°
C3	C8	N2	C12	144.9°	170.6°
C8	C3	C4	H5	179.5°	179.8°
C3	C8	C7	H8	179.2°	179.8°
C8	C3	N1	H4	79.0°	25.1°
C8	N2	C9	C12	178.3°	123.8°
C8	N2	C9	C10	129.9°	177.6°
C8	N2	C12	C11	129.8°	177.6°
N2	C8	C7	H8	0.4°	0.0°
C8	N2	C9	H10	9.9°	57.7°
C8	N2	C9	H9	110.1°	62.4°
C8	N2	C12	H15	9.7°	62.4°
C8	N2	C12	H16	110.2°	57.7°
N2	C9	C10	H10	120.0°	120.0°
N2	C9	C10	H9	120.0°	120.0°
N2	C9	C10	O2	54.1°	56.8°
C9	N2	C12	C11	48.6°	58.6°
N2	C9	H10	H9	120.0°	120.1°
N2	C9	C10	H11	66.2°	176.8°
N2	C9	C10	H12	174.4°	63.1°
C9	N2	C12	H15	168.6°	61.4°
C9	N2	C12	H16	71.5°	178.5°
C9	C10	O2	H11	120.3°	120.0°
C9	C10	O2	H12	120.3°	119.9°
C9	C10	O2	C11	62.3°	58.6°
C10	C9	N2	C12	48.3°	58.6°
C10	C9	H10	H9	119.9°	120.0°
C9	C10	H11	H12	119.0°	120.1°
C10	O2	C11	C12	62.4°	58.6°
C10	O2	C11	H13	57.9°	61.2°
C10	O2	C11	H14	177.4°	178.7°
O2	C10	C9	H10	174.1°	176.8°
O2	C10	C9	H9	65.9°	63.2°
O2	C10	H11	H12	119.0°	120.1°
O2	C11	C12	H13	120.3°	119.9°
O2	C11	C12	H14	120.3°	120.0°
O2	C11	C12	N2	54.5°	56.9°
O2	C11	H13	H14	119.2°	120.1°
C11	O2	C10	H11	58.0°	178.6°
C11	O2	C10	H12	177.4°	61.3°
O2	C11	C12	H15	174.5°	63.2°
O2	C11	C12	H16	65.6°	176.8°
C11	C12	N2	H15	120.0°	120.0°
C11	C12	N2	H16	120.0°	119.9°
C12	C11	H13	H14	119.1°	120.1°
C11	C12	H15	H16	119.9°	120.0°
N2	C12	C11	H13	65.8°	63.0°
N2	C12	C11	H14	174.7°	176.9°
C12	N2	C9	H10	168.3°	178.6°
C12	N2	C9	H9	71.7°	61.4°
N2	C12	H15	H16	119.9°	120.1°
H5	C4	C5	H6	1.2°	0.0°
H6	C5	C6	H7	0.9°	0.0°
H7	C6	C7	H8	0.2°	0.0°
H13	C11	C12	H15	54.2°	176.9°
H13	C11	C12	H16	174.2°	56.9°
H14	C11	C12	H15	65.3°	56.8°
H14	C11	C12	H16	54.7°	63.2°
H10	C9	C10	H11	53.8°	63.2°
H10	C9	C10	H12	65.6°	56.9°
H9	C9	C10	H11	173.8°	56.8°
H9	C9	C10	H12	54.4°	176.9°
H1	C1	H2	H3	120.0°	119.9°

Release date:	2026-02-18
Definition date:	2025-10-02
Last modified:	2026-02-13
Release status:	REL
Processing site:	RCSB
Derived from:	13RF