A1BJI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.35Å	1.39Å	Aromatic
C1	C12	sing	1.40Å	1.43Å	Aromatic
C2	N1	sing	1.35Å	1.41Å	Aromatic
C12	N6	doub	1.31Å	1.37Å	Aromatic
N1	N6	sing	1.40Å	1.38Å	Aromatic
N1	C3	sing	1.47Å	1.50Å
C3	C4	sing	1.54Å	1.56Å
C3	C11	sing	1.54Å	1.56Å
C4	N2	sing	1.48Å	1.53Å
C11	N2	sing	1.48Å	1.51Å
N2	C5	sing	1.38Å	1.43Å
C5	N3	doub	1.33Å	1.36Å	Aromatic
C5	C8	sing	1.40Å	1.45Å	Aromatic
C9	C8	sing	1.46Å	1.45Å	Aromatic
C9	C10	doub	1.34Å	1.39Å	Aromatic
N3	C6	sing	1.32Å	1.38Å	Aromatic
C8	C7	doub	1.41Å	1.41Å	Aromatic
C10	N5	sing	1.37Å	1.40Å	Aromatic
C6	N4	doub	1.32Å	1.33Å	Aromatic
C7	N5	sing	1.37Å	1.38Å	Aromatic
C7	N4	sing	1.33Å	1.36Å	Aromatic
C3	H3	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
N5	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C12	106.3°	107.9°
C1	C2	N1	107.5°	107.7°
C2	C1	H1	126.9°	126.0°
C1	C2	H2	126.2°	126.1°
C1	C12	N6	109.5°	108.3°
C1	C12	H12	125.3°	125.9°
C12	C1	H1	126.8°	126.1°
C2	N1	N6	109.4°	107.9°
C2	N1	C3	126.0°	126.0°
N1	C2	H2	126.3°	126.1°
C12	N6	N1	107.3°	108.2°
N6	C12	H12	125.2°	125.9°
N6	N1	C3	124.6°	126.0°
N1	C3	C4	119.0°	113.7°
N1	C3	C11	113.6°	113.8°
N1	C3	H3	112.0°	113.0°
C4	C3	C11	87.7°	86.4°
C3	C4	N2	89.0°	86.2°
C4	C3	H3	111.1°	113.7°
C3	C4	H4	114.3°	113.8°
C3	C4	H5	114.3°	113.8°
C3	C11	N2	89.8°	86.2°
C11	C3	H3	111.1°	113.8°
C3	C11	H11	114.1°	113.7°
C3	C11	H10	114.1°	113.7°
C4	N2	C11	90.9°	90.8°
C4	N2	C5	136.1°	111.0°
N2	C4	H4	114.3°	113.7°
N2	C4	H5	114.3°	113.7°
C11	N2	C5	132.9°	111.0°
N2	C11	H11	114.1°	113.7°
N2	C11	H10	114.2°	113.8°
N2	C5	N3	121.5°	120.8°
N2	C5	C8	119.9°	120.8°
N3	C5	C8	118.6°	118.3°
C5	N3	C6	120.7°	121.0°
C5	C8	C9	140.7°	135.1°
C5	C8	C7	114.4°	118.7°
C8	C9	C10	108.5°	106.8°
C9	C8	C7	104.9°	106.2°
C8	C9	H7	125.8°	126.6°
C9	C10	N5	108.1°	109.8°
C10	C9	H7	125.8°	126.6°
C9	C10	H8	125.9°	125.1°
N3	C6	N4	125.1°	122.7°
N3	C6	H6	117.4°	118.7°
C8	C7	N5	109.9°	107.2°
C8	C7	N4	126.6°	118.5°
C10	N5	C7	108.6°	110.0°
N5	C10	H8	125.9°	125.1°
C10	N5	H9	125.7°	125.0°
C6	N4	C7	114.5°	120.8°
N4	C6	H6	117.5°	118.7°
N5	C7	N4	123.5°	134.3°
C7	N5	H9	125.7°	125.0°
H11	C11	H10	109.4°	113.0°
H4	C4	H5	109.5°	113.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C12	H1	180.0°	179.9°
C1	C2	N1	H2	180.0°	179.9°
C2	C1	C12	N6	0.7°	0.0°
C1	C2	N1	N6	0.4°	0.0°
C1	C2	N1	C3	179.1°	180.0°
C2	C1	C12	H12	179.3°	179.7°
C12	C1	C2	N1	0.2°	0.0°
C1	C12	N6	H12	180.0°	179.7°
C1	C12	N6	N1	0.9°	0.1°
C12	C1	C2	H2	179.8°	179.9°
C2	N1	N6	C12	0.8°	0.1°
C2	N1	N6	C3	178.8°	180.0°
C2	N1	C3	C4	127.7°	85.0°
C2	N1	C3	C11	131.2°	11.7°
C2	N1	C3	H3	4.3°	143.4°
N1	C2	C1	H1	179.9°	179.9°
C12	N6	N1	C3	179.6°	180.0°
N6	C12	C1	H1	179.4°	180.0°
N6	N1	C3	C4	53.7°	95.0°
N6	N1	C3	C11	47.4°	168.3°
N6	N1	C3	H3	174.3°	36.6°
N1	N6	C12	H12	179.1°	179.7°
N6	N1	C2	H2	179.6°	179.9°
N1	C3	C4	C11	115.8°	114.4°
N1	C3	C4	H3	132.4°	131.2°
N1	C3	C11	H3	127.4°	131.3°
N1	C3	C4	N2	127.7°	138.1°
N1	C3	C11	N2	132.8°	138.0°
N1	C3	C11	H11	110.6°	23.8°
N1	C3	C11	H10	16.3°	107.5°
C3	N1	C2	H2	0.9°	0.1°
N1	C3	C4	H4	11.3°	107.6°
N1	C3	C4	H5	116.0°	23.8°
C4	C3	C11	H3	111.8°	114.3°
C3	C4	N2	H4	116.4°	114.3°
C3	C4	N2	H5	116.4°	114.3°
C4	C3	C11	N2	12.1°	23.7°
C3	C4	N2	C5	171.7°	137.6°
C4	C3	C11	H11	128.6°	90.6°
C4	C3	C11	H10	104.5°	138.1°
C3	C4	H4	H5	129.7°	131.8°
C3	C11	N2	H11	116.5°	114.3°
C3	C11	N2	H10	116.5°	114.3°
C3	C11	N2	C5	171.5°	137.6°
C3	C11	H11	H10	129.3°	131.7°
C11	C3	C4	H4	104.5°	138.0°
C11	C3	C4	H5	128.2°	90.6°
C4	N2	C11	C5	176.2°	112.9°
C4	N2	C5	N3	8.9°	99.3°
C4	N2	C5	C8	173.0°	80.7°
N2	C4	C3	H3	99.9°	90.7°
C4	N2	C11	H11	128.8°	89.6°
C4	N2	C11	H10	104.2°	139.0°
N2	C4	H4	H5	129.7°	131.6°
C11	N2	C5	N3	176.5°	0.0°
C11	N2	C5	C8	1.6°	180.0°
N2	C11	C3	H3	99.8°	90.6°
N2	C11	H11	H10	129.3°	131.8°
C11	N2	C4	H4	104.1°	139.0°
C11	N2	C4	H5	128.7°	89.7°
N2	C5	N3	C8	178.1°	180.0°
N2	C5	C8	C9	0.5°	0.0°
N2	C5	N3	C6	179.7°	180.0°
N2	C5	C8	C7	179.3°	179.8°
C5	N2	C11	H11	54.9°	23.3°
C5	N2	C11	H10	72.0°	108.1°
C5	N2	C4	H4	71.9°	108.1°
C5	N2	C4	H5	55.3°	23.2°
N3	C5	C8	C9	178.6°	180.0°
N3	C5	C8	C7	1.2°	0.2°
C5	N3	C6	N4	2.3°	0.0°
C5	N3	C6	H6	177.6°	179.7°
C5	C8	C9	C7	179.8°	179.8°
C5	C8	C9	C10	179.8°	179.4°
C8	C5	N3	C6	2.2°	0.0°
C5	C8	C7	N5	179.5°	179.9°
C5	C8	C7	N4	0.2°	0.5°
C5	C8	C9	H7	0.2°	0.1°
C8	C9	C10	H7	180.0°	179.4°
C8	C9	C10	N5	0.0°	0.7°
C9	C8	C7	N5	0.7°	0.0°
C9	C8	C7	N4	179.7°	179.7°
C8	C9	C10	H8	180.0°	179.9°
C10	C9	C8	C7	0.4°	0.4°
C9	C10	N5	H8	180.0°	179.4°
C9	C10	N5	C7	0.4°	0.7°
C9	C10	N5	H9	179.6°	180.0°
N3	C6	N4	H6	180.0°	179.7°
N3	C6	N4	C7	1.2°	0.3°
C8	C7	N5	C10	0.7°	0.5°
C8	C7	N4	C6	0.2°	0.5°
C8	C7	N5	N4	179.7°	179.6°
C7	C8	C9	H7	179.6°	179.8°
C8	C7	N5	H9	179.3°	179.7°
C10	N5	C7	H9	180.0°	179.2°
C10	N5	C7	N4	179.7°	180.0°
N5	C10	C9	H7	180.0°	179.9°
C6	N4	C7	N5	179.4°	180.0°
C7	N5	C10	H8	179.6°	179.8°
C7	N4	C6	H6	178.7°	180.0°
N4	C7	N5	H9	0.3°	0.7°
H3	C3	C11	H11	16.8°	155.1°
H3	C3	C11	H10	143.7°	23.8°
H3	C3	C4	H4	143.7°	23.6°
H3	C3	C4	H5	16.4°	155.0°
H7	C9	C10	H8	0.0°	0.5°
H12	C12	C1	H1	0.6°	0.3°
H1	C1	C2	H2	0.1°	0.0°
H8	C10	N5	H9	0.4°	0.6°

Release date:	2025-08-20
Definition date:	2024-12-09
Last modified:	2025-08-15
Release status:	REL
Processing site:	RCSB
Derived from:	7HPL