A1BGI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.46Å
N1	C2	sing	1.36Å	1.34Å	Aromatic
C2	C3	doub	1.36Å	1.39Å	Aromatic
C3	N2	sing	1.41Å	1.40Å
N2	C4	sing	1.35Å	1.36Å
C4	O1	doub	1.22Å	1.23Å
C4	C5	sing	1.48Å	1.51Å
C5	C6	doub	1.39Å	1.37Å	Aromatic
C6	C7	sing	1.39Å	1.41Å	Aromatic
C7	C8	doub	1.36Å	1.36Å	Aromatic
C8	C9	sing	1.41Å	1.41Å	Aromatic
C9	N3	doub	1.34Å	1.37Å	Aromatic
N3	C10	sing	1.31Å	1.32Å	Aromatic
C10	C11	doub	1.39Å	1.41Å	Aromatic
C11	C12	sing	1.37Å	1.37Å	Aromatic
C12	C13	doub	1.40Å	1.42Å	Aromatic
C3	C14	sing	1.40Å	1.39Å	Aromatic
C14	N4	doub	1.31Å	1.32Å	Aromatic
N1	N4	sing	1.40Å	1.35Å	Aromatic
C5	C13	sing	1.42Å	1.43Å	Aromatic
C9	C13	sing	1.42Å	1.43Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H4	sing	1.08Å	1.08Å
N2	H5	sing	0.97Å	1.00Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	128.6°	126.0°
C1	N1	N4	120.3°	126.0°
N1	C1	H3	109.5°	109.5°
N1	C1	H1	109.5°	109.4°
N1	C1	H2	109.5°	109.4°
N1	C2	C3	106.6°	107.5°
C2	N1	N4	111.1°	107.9°
N1	C2	H4	126.7°	126.2°
C2	C3	N2	129.1°	126.1°
C2	C3	C14	105.4°	107.9°
C3	C2	H4	126.7°	126.2°
C3	N2	C4	124.6°	120.0°
N2	C3	C14	125.5°	126.1°
C3	N2	H5	117.7°	120.0°
N2	C4	O1	122.1°	120.0°
N2	C4	C5	117.7°	120.0°
C4	N2	H5	117.7°	120.1°
O1	C4	C5	120.3°	120.0°
C4	C5	C6	118.2°	120.4°
C4	C5	C13	122.8°	120.4°
C5	C6	C7	121.6°	120.5°
C6	C5	C13	119.1°	119.3°
C5	C6	H6	119.2°	119.7°
C6	C7	C8	120.5°	121.2°
C7	C6	H6	119.2°	119.7°
C6	C7	H7	119.8°	119.3°
C7	C8	C9	120.4°	120.2°
C8	C7	H7	119.7°	119.4°
C7	C8	H8	119.8°	119.9°
C8	C9	N3	117.5°	120.9°
C8	C9	C13	119.6°	119.3°
C9	C8	H8	119.8°	119.9°
C9	N3	C10	117.0°	121.3°
N3	C9	C13	122.9°	119.8°
N3	C10	C11	124.6°	121.7°
N3	C10	H9	117.7°	119.1°
C10	C11	C12	118.9°	119.9°
C11	C10	H9	117.7°	119.2°
C10	C11	H10	120.6°	120.1°
C11	C12	C13	119.6°	118.2°
C12	C11	H10	120.5°	120.0°
C11	C12	H11	120.2°	120.9°
C12	C13	C5	124.2°	121.4°
C12	C13	C9	117.0°	119.1°
C13	C12	H11	120.2°	120.9°
C3	C14	N4	110.6°	108.3°
C3	C14	H12	124.7°	125.8°
C14	N4	N1	106.3°	108.4°
N4	C14	H12	124.7°	125.9°
C5	C13	C9	118.8°	119.5°
H3	C1	H1	109.4°	109.5°
H3	C1	H2	109.5°	109.5°
H1	C1	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	N4	178.6°	179.8°
C1	N1	C2	C3	179.4°	179.7°
C1	N1	N4	C14	179.6°	179.8°
N1	C1	H3	H1	120.0°	120.0°
N1	C1	H3	H2	120.0°	120.0°
N1	C1	H1	H2	120.0°	120.0°
C1	N1	C2	H4	0.6°	0.2°
N1	C2	C3	H4	180.0°	179.9°
N1	C2	C3	N2	179.3°	180.0°
N1	C2	C3	C14	0.4°	0.1°
C2	N1	N4	C14	0.8°	0.0°
C2	N1	C1	H3	178.5°	89.9°
C2	N1	C1	H1	58.5°	150.1°
C2	N1	C1	H2	61.5°	30.1°
C2	C3	N2	C14	179.7°	180.0°
C2	C3	N2	C4	26.6°	179.9°
C2	C3	C14	N4	0.1°	0.0°
C3	C2	N1	N4	0.8°	0.0°
C2	C3	N2	H5	153.4°	0.1°
C2	C3	C14	H12	179.9°	179.9°
C3	N2	C4	H5	180.0°	180.0°
C3	N2	C4	O1	4.6°	0.0°
C3	N2	C4	C5	176.4°	179.9°
N2	C3	C14	N4	179.8°	180.0°
N2	C3	C2	H4	0.7°	0.1°
N2	C3	C14	H12	0.2°	0.0°
N2	C4	O1	C5	179.0°	179.9°
N2	C4	C5	C6	38.8°	6.0°
C4	N2	C3	C14	153.7°	0.0°
N2	C4	C5	C13	141.4°	174.0°
O1	C4	C5	C6	140.2°	174.0°
O1	C4	C5	C13	39.6°	5.9°
O1	C4	N2	H5	175.4°	180.0°
C4	C5	C6	C13	179.8°	179.9°
C4	C5	C6	C7	179.7°	180.0°
C4	C5	C13	C12	0.6°	0.1°
C4	C5	C13	C9	179.7°	180.0°
C4	C5	C6	H6	0.3°	0.1°
C5	C4	N2	H5	3.6°	0.0°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.0°	0.1°
C6	C5	C13	C12	179.7°	180.0°
C6	C5	C13	C9	0.0°	0.1°
C5	C6	C7	H7	180.0°	180.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.2°	0.1°
C7	C6	C5	C13	0.1°	0.1°
C6	C7	C8	H8	179.8°	179.9°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	N3	180.0°	179.9°
C7	C8	C9	C13	0.2°	0.1°
C8	C7	C6	H6	179.9°	180.0°
C8	C9	N3	C13	179.8°	179.9°
C8	C9	N3	C10	180.0°	180.0°
C8	C9	C13	C12	179.8°	180.0°
C8	C9	C13	C5	0.1°	0.1°
C9	C8	C7	H7	179.9°	180.0°
C9	N3	C10	C11	0.1°	0.0°
N3	C9	C13	C12	0.4°	0.1°
N3	C9	C13	C5	179.9°	180.0°
N3	C9	C8	H8	0.0°	0.0°
C9	N3	C10	H9	179.9°	180.0°
N3	C10	C11	H9	180.0°	179.9°
N3	C10	C11	C12	0.1°	0.0°
C10	N3	C9	C13	0.2°	0.1°
N3	C10	C11	H10	179.8°	180.0°
C10	C11	C12	H10	180.0°	180.0°
C10	C11	C12	C13	0.3°	0.1°
C10	C11	C12	H11	179.7°	179.9°
C11	C12	C13	H11	180.0°	179.9°
C11	C12	C13	C5	179.9°	180.0°
C11	C12	C13	C9	0.4°	0.1°
C12	C11	C10	H9	179.9°	180.0°
C12	C13	C5	C9	179.7°	179.9°
C13	C12	C11	H10	179.7°	180.0°
C3	C14	N4	H12	180.0°	180.0°
C3	C14	N4	N1	0.5°	0.0°
C14	C3	C2	H4	179.6°	180.0°
C14	C3	N2	H5	26.3°	180.0°
N4	N1	C1	H3	0.0°	90.3°
N4	N1	C1	H1	120.0°	29.7°
N4	N1	C1	H2	120.0°	149.7°
N4	N1	C2	H4	179.2°	180.0°
N1	N4	C14	H12	179.5°	180.0°
C13	C5	C6	H6	179.9°	180.0°
C5	C13	C12	H11	0.1°	0.1°
C13	C9	C8	H8	179.8°	179.9°
C9	C13	C12	H11	179.6°	180.0°
H6	C6	C7	H7	0.0°	0.1°
H7	C7	C8	H8	0.1°	0.0°
H9	C10	C11	H10	0.1°	0.0°
H3	C1	H1	H2	120.0°	120.1°
H10	C11	C12	H11	0.3°	0.1°

Release date:	2025-02-26
Definition date:	2024-11-11
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HOZ