A1BSR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.46Å
N	N1	sing	1.28Å	1.39Å	Aromatic
N1	C1	doub	1.32Å	1.33Å	Aromatic
C1	C2	sing	1.47Å	1.51Å
C2	O	doub	1.22Å	1.23Å
N2	C2	sing	1.35Å	1.35Å
C3	N2	sing	1.47Å	1.46Å
C3	C4	sing	1.53Å	1.50Å
C4	C5	sing	1.53Å	1.50Å
C5	C3	sing	1.53Å	1.50Å
C6	C5	sing	1.53Å	1.52Å
O1	C6	sing	1.43Å	1.42Å
C7	C1	sing	1.47Å	1.45Å	Aromatic
C7	C8	doub	1.39Å	1.40Å	Aromatic
C8	C9	sing	1.37Å	1.39Å	Aromatic
C9	C10	doub	1.39Å	1.40Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.39Å	1.39Å	Aromatic
C12	C7	sing	1.41Å	1.40Å	Aromatic
N	C12	sing	1.37Å	1.36Å	Aromatic
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H1	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C8	H11	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
N2	H5	sing	0.97Å	1.00Å
C3	H	sing	1.09Å	1.10Å
O1	H10	sing	0.97Å	0.95Å
C	H3	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C11	H14	sing	1.08Å	1.08Å
C9	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	N1	120.2°	124.4°
C	N	C12	127.9°	124.4°
N	C	H3	109.5°	109.4°
N	C	H2	109.5°	109.4°
N	C	H4	109.4°	109.4°
N	N1	C1	105.6°	112.0°
N1	N	C12	112.0°	111.3°
N1	C1	C2	122.9°	126.8°
N1	C1	C7	110.9°	106.3°
C1	C2	O	119.5°	120.0°
C1	C2	N2	118.2°	120.0°
C2	C1	C7	126.2°	126.8°
O	C2	N2	122.3°	120.0°
C2	N2	C3	120.2°	120.0°
C2	N2	H5	119.9°	120.0°
N2	C3	C4	118.4°	117.5°
N2	C3	C5	119.6°	117.5°
C3	N2	H5	119.9°	120.0°
N2	C3	H	116.1°	115.5°
C3	C4	C5	60.0°	60.0°
C4	C3	C5	60.0°	60.0°
C3	C4	H6	120.0°	117.6°
C3	C4	H7	120.0°	117.5°
C4	C3	H	115.5°	117.6°
C4	C5	C3	60.0°	60.0°
C4	C5	C6	119.3°	117.5°
C5	C4	H6	120.0°	117.5°
C5	C4	H7	120.0°	117.5°
C4	C5	H1	115.3°	117.5°
C3	C5	C6	120.9°	117.5°
C3	C5	H1	115.4°	117.5°
C5	C3	H	115.5°	117.6°
C5	C6	O1	112.2°	109.5°
C6	C5	H1	114.9°	115.6°
C5	C6	H8	108.8°	109.5°
C5	C6	H9	108.8°	109.5°
O1	C6	H8	108.8°	109.4°
O1	C6	H9	108.8°	109.5°
C6	O1	H10	109.5°	114.0°
C1	C7	C8	136.2°	135.5°
C1	C7	C12	104.6°	104.4°
C7	C8	C9	119.6°	119.7°
C8	C7	C12	119.0°	120.2°
C7	C8	H11	120.2°	120.2°
C8	C9	C10	120.6°	120.5°
C9	C8	H11	120.2°	120.2°
C8	C9	H12	119.7°	119.8°
C9	C10	C11	120.6°	120.7°
C9	C10	H13	119.7°	119.6°
C10	C9	H12	119.7°	119.7°
C10	C11	C12	118.4°	119.7°
C11	C10	H13	119.7°	119.6°
C10	C11	H14	120.8°	120.2°
C11	C12	C7	121.7°	119.2°
C11	C12	N	131.3°	134.7°
C12	C11	H14	120.8°	120.1°
C7	C12	N	106.9°	106.0°
H6	C4	H7	109.5°	115.5°
H8	C6	H9	109.4°	109.5°
H3	C	H2	109.5°	109.5°
H3	C	H4	109.5°	109.5°
H2	C	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	N1	C12	179.4°	179.9°
C	N	N1	C1	179.6°	179.9°
C	N	C12	C11	2.6°	0.1°
C	N	C12	C7	179.8°	180.0°
N	C	H3	H2	120.0°	120.0°
N	C	H3	H4	120.0°	120.0°
N	C	H2	H4	120.0°	119.9°
N	N1	C1	C2	177.5°	180.0°
N	N1	C1	C7	0.5°	0.0°
N1	N	C12	C11	178.0°	180.0°
N1	N	C12	C7	0.9°	0.0°
N1	N	C	H3	0.0°	90.0°
N1	N	C	H2	120.0°	150.0°
N1	N	C	H4	120.0°	30.1°
N1	C1	C2	C7	176.6°	179.9°
N1	C1	C2	O	172.7°	180.0°
N1	C1	C2	N2	9.0°	0.0°
N1	C1	C7	C8	174.5°	180.0°
N1	C1	C7	C12	1.0°	0.1°
C1	N1	N	C12	0.2°	0.0°
C1	C2	O	N2	178.2°	180.0°
C1	C2	N2	C3	175.9°	180.0°
C2	C1	C7	C8	2.4°	0.0°
C2	C1	C7	C12	177.9°	180.0°
C1	C2	N2	H5	4.1°	0.0°
O	C2	N2	C3	5.9°	0.0°
O	C2	C1	C7	3.8°	0.1°
O	C2	N2	H5	174.1°	179.9°
C2	N2	C3	H5	180.0°	179.9°
C2	N2	C3	C4	170.3°	136.4°
C2	N2	C3	C5	100.5°	155.0°
N2	C2	C1	C7	174.5°	180.0°
C2	N2	C3	H	45.6°	9.4°
N2	C3	C4	C5	109.6°	107.5°
N2	C3	C4	H	144.4°	145.0°
N2	C3	C5	H	146.3°	145.0°
N2	C3	C5	C6	0.6°	0.0°
N2	C3	C4	H6	140.9°	0.0°
N2	C3	C4	H7	0.2°	145.0°
N2	C3	C5	H1	146.5°	145.1°
C3	C4	C5	H6	109.4°	107.6°
C3	C4	C5	H7	109.5°	107.5°
C4	C3	C5	H	106.0°	107.6°
C3	C4	C5	C6	110.9°	107.5°
C3	C4	H6	H7	144.8°	145.7°
C4	C3	C5	H1	105.9°	107.5°
C4	C3	N2	H5	9.7°	43.6°
C4	C5	C6	H1	143.4°	145.7°
C4	C5	C6	O1	147.6°	116.4°
C5	C4	H6	H7	144.8°	145.6°
C4	C5	C6	H8	91.9°	3.5°
C4	C5	C6	H9	27.2°	123.6°
C3	C5	C6	H1	146.0°	145.7°
C3	C5	C6	O1	77.0°	175.0°
C3	C5	C6	H8	162.5°	65.1°
C3	C5	C6	H9	43.4°	54.9°
C5	C3	N2	H5	79.5°	25.0°
C5	C6	O1	H8	120.4°	120.0°
C5	C6	O1	H9	120.4°	120.0°
C6	C5	C4	H6	139.7°	0.1°
C6	C5	C4	H7	1.4°	145.0°
C5	C6	H8	H9	118.7°	120.0°
C6	C5	C3	H	145.7°	144.9°
C5	C6	O1	H10	180.0°	180.0°
O1	C6	C5	H1	69.0°	29.3°
O1	C6	H8	H9	118.8°	120.0°
C1	C7	C8	C12	175.0°	179.9°
C1	C7	C8	C9	174.8°	179.9°
C1	C7	C12	C11	178.6°	180.0°
C1	C7	C12	N	1.1°	0.1°
C1	C7	C8	H11	5.2°	0.0°
C7	C8	C9	H11	180.0°	179.9°
C7	C8	C9	C10	1.9°	0.1°
C8	C7	C12	C11	2.1°	0.0°
C8	C7	C12	N	175.4°	180.0°
C7	C8	C9	H12	178.1°	180.0°
C8	C9	C10	H12	180.0°	180.0°
C8	C9	C10	C11	1.2°	0.0°
C9	C8	C7	C12	0.3°	0.0°
C8	C9	C10	H13	178.7°	180.0°
C9	C10	C11	H13	180.0°	180.0°
C9	C10	C11	C12	1.1°	0.0°
C10	C9	C8	H11	178.1°	179.9°
C9	C10	C11	H14	178.9°	179.9°
C10	C11	C12	H14	180.0°	179.9°
C10	C11	C12	C7	2.8°	0.0°
C10	C11	C12	N	174.0°	180.0°
C11	C10	C9	H12	178.8°	180.0°
C11	C12	C7	N	177.5°	180.0°
C12	C11	C10	H13	178.9°	179.9°
C12	C7	C8	H11	179.7°	179.9°
C7	C12	C11	H14	177.2°	179.9°
C12	N	C	H3	179.3°	89.9°
C12	N	C	H2	60.7°	30.1°
C12	N	C	H4	59.3°	150.0°
N	C12	C11	H14	6.0°	0.1°
H6	C4	C5	H1	3.5°	145.0°
H6	C4	C3	H	3.5°	145.0°
H7	C4	C5	H1	144.6°	0.1°
H7	C4	C3	H	144.5°	0.0°
H1	C5	C6	H8	51.5°	149.2°
H1	C5	C6	H9	170.6°	90.8°
H1	C5	C3	H	0.2°	0.1°
H8	C6	O1	H10	59.6°	60.0°
H9	C6	O1	H10	59.6°	60.0°
H11	C8	C9	H12	1.9°	0.1°
H13	C10	C11	H14	1.1°	0.0°
H13	C10	C9	H12	1.2°	0.0°
H5	N2	C3	H	134.4°	170.7°
H3	C	H2	H4	120.0°	120.1°

Release date:	2025-02-26
Definition date:	2025-01-15
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HUJ