A1ASL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.37Å	1.38Å	Aromatic
C1	C4	doub	1.37Å	1.36Å	Aromatic
C1	N5	sing	1.38Å	1.45Å
N1	C2	sing	1.37Å	1.42Å	Aromatic
N1	C5	sing	1.36Å	1.30Å	Aromatic
C2	N2	sing	1.34Å	1.35Å	Aromatic
C2	N4	doub	1.32Å	1.45Å	Aromatic
N2	C3	doub	1.32Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.43Å	Aromatic
C3	C14	sing	1.51Å	1.53Å
C5	N3	doub	1.31Å	1.21Å	Aromatic
N3	N4	sing	1.29Å	1.44Å	Aromatic
N5	C6	sing	1.40Å	1.44Å
C6	C7	doub	1.39Å	1.52Å	Aromatic
C6	C11	sing	1.39Å	1.32Å	Aromatic
C7	C8	sing	1.38Å	1.32Å	Aromatic
C7	C12	sing	1.51Å	1.52Å
C8	C9	doub	1.38Å	1.52Å	Aromatic
C9	C10	sing	1.38Å	1.31Å	Aromatic
C9	C13	sing	1.51Å	1.53Å
C10	C11	doub	1.38Å	1.52Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C13	H11	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C11	H6	sing	1.08Å	1.08Å
C12	H8	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
N5	H3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C4	119.2°	118.8°
N1	C1	N5	118.1°	120.6°
C1	N1	C2	119.0°	120.0°
C1	N1	C5	136.9°	133.9°
C4	C1	N5	122.7°	120.6°
C1	C4	C3	118.8°	119.3°
C1	C4	H1	120.6°	120.4°
C1	N5	C6	117.6°	120.0°
C1	N5	H3	121.2°	120.0°
C2	N1	C5	104.1°	106.0°
N1	C2	N2	125.3°	120.3°
N1	C2	N4	105.3°	106.6°
N1	C5	N3	120.7°	107.3°
N1	C5	H2	119.7°	126.3°
N2	C2	N4	129.4°	133.1°
C2	N2	C3	113.6°	121.1°
C2	N4	N3	104.4°	109.7°
N2	C3	C4	124.0°	120.5°
N2	C3	C14	117.6°	119.7°
C4	C3	C14	118.4°	119.7°
C3	C4	H1	120.6°	120.3°
C3	C14	H14	109.5°	109.4°
C3	C14	H13	109.5°	109.5°
C3	C14	H15	109.5°	109.5°
C5	N3	N4	105.5°	110.4°
N3	C5	H2	119.7°	126.3°
N5	C6	C7	120.0°	120.0°
N5	C6	C11	118.7°	120.1°
C6	N5	H3	121.2°	120.0°
C7	C6	C11	121.3°	119.9°
C6	C7	C8	119.6°	119.9°
C6	C7	C12	121.1°	120.0°
C6	C11	C10	119.0°	119.9°
C6	C11	H6	120.5°	120.1°
C8	C7	C12	119.3°	120.1°
C7	C8	C9	119.3°	120.1°
C7	C8	H4	120.4°	119.9°
C7	C12	H8	109.5°	109.5°
C7	C12	H7	109.5°	109.4°
C7	C12	H9	109.5°	109.4°
C8	C9	C10	121.1°	120.2°
C8	C9	C13	118.8°	119.9°
C9	C8	H4	120.3°	120.0°
C10	C9	C13	120.1°	119.9°
C9	C10	C11	119.7°	120.1°
C9	C10	H5	120.2°	119.9°
C9	C13	H11	109.5°	109.4°
C9	C13	H10	109.4°	109.5°
C9	C13	H12	109.5°	109.4°
C11	C10	H5	120.1°	120.0°
C10	C11	H6	120.5°	120.1°
H11	C13	H10	109.5°	109.5°
H11	C13	H12	109.4°	109.5°
H10	C13	H12	109.5°	109.5°
H8	C12	H7	109.5°	109.6°
H8	C12	H9	109.5°	109.4°
H7	C12	H9	109.4°	109.5°
H14	C14	H13	109.5°	109.5°
H14	C14	H15	109.4°	109.5°
H13	C14	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C4	N5	179.5°	179.9°
C1	N1	C2	C5	179.8°	179.7°
C1	N1	C2	N2	0.2°	0.2°
C1	N1	C2	N4	179.6°	179.7°
N1	C1	C4	C3	0.3°	0.4°
C1	N1	C5	N3	180.0°	179.6°
N1	C1	N5	C6	174.0°	59.1°
N1	C1	C4	H1	179.7°	180.0°
C1	N1	C5	H2	0.0°	0.3°
N1	C1	N5	H3	6.0°	120.8°
C4	C1	N1	C2	0.2°	0.1°
C4	C1	N1	C5	179.9°	179.7°
C1	C4	C3	N2	0.2°	0.7°
C1	C4	C3	H1	180.0°	179.6°
C1	C4	C3	C14	179.8°	179.6°
C4	C1	N5	C6	5.5°	120.8°
C4	C1	N5	H3	174.5°	59.2°
N5	C1	N1	C2	179.7°	180.0°
N5	C1	N1	C5	0.6°	0.4°
N5	C1	C4	C3	179.8°	179.5°
C1	N5	C6	H3	180.0°	179.9°
C1	N5	C6	C7	78.8°	174.1°
C1	N5	C6	C11	99.4°	6.3°
N5	C1	C4	H1	0.2°	0.0°
N1	C2	N2	N4	179.3°	179.9°
N1	C2	N2	C3	0.3°	0.0°
C2	N1	C5	N3	0.3°	0.0°
N1	C2	N4	N3	0.5°	0.0°
C2	N1	C5	H2	179.7°	180.0°
C5	N1	C2	N2	179.7°	180.0°
C5	N1	C2	N4	0.2°	0.0°
N1	C5	N3	H2	180.0°	180.0°
N1	C5	N3	N4	0.6°	0.0°
C2	N2	C3	C4	0.1°	0.5°
C2	N2	C3	C14	179.9°	179.8°
N2	C2	N4	N3	179.9°	179.9°
N4	C2	N2	C3	179.6°	180.0°
C2	N4	N3	C5	0.6°	0.0°
N2	C3	C4	C14	179.9°	179.7°
N2	C3	C4	H1	179.9°	179.7°
N2	C3	C14	H14	0.0°	89.7°
N2	C3	C14	H13	120.0°	30.3°
N2	C3	C14	H15	120.0°	150.3°
C4	C3	C14	H14	179.9°	90.0°
C4	C3	C14	H13	60.0°	150.0°
C4	C3	C14	H15	60.0°	30.0°
C14	C3	C4	H1	0.2°	0.0°
C3	C14	H14	H13	120.0°	120.0°
C3	C14	H14	H15	120.0°	120.0°
C3	C14	H13	H15	120.0°	120.0°
N4	N3	C5	H2	179.4°	180.0°
N5	C6	C7	C11	178.1°	179.6°
N5	C6	C7	C8	179.3°	179.7°
N5	C6	C7	C12	1.5°	0.3°
N5	C6	C11	C10	179.2°	179.7°
N5	C6	C11	H6	0.8°	0.3°
C6	C7	C8	C12	179.2°	180.0°
C6	C7	C8	C9	0.7°	0.0°
C7	C6	C11	C10	1.0°	0.1°
C6	C7	C8	H4	179.3°	180.0°
C7	C6	C11	H6	179.0°	180.0°
C6	C7	C12	H8	89.6°	90.0°
C6	C7	C12	H7	150.4°	149.9°
C6	C7	C12	H9	30.4°	30.0°
C7	C6	N5	H3	101.2°	5.9°
C11	C6	C7	C8	1.2°	0.1°
C11	C6	C7	C12	179.6°	180.0°
C6	C11	C10	C9	0.5°	0.1°
C6	C11	C10	H6	180.0°	180.0°
C6	C11	C10	H5	179.5°	180.0°
C11	C6	N5	H3	80.6°	173.8°
C7	C8	C9	H4	180.0°	180.0°
C7	C8	C9	C10	0.2°	0.0°
C7	C8	C9	C13	179.9°	180.0°
C8	C7	C12	H8	89.6°	90.1°
C8	C7	C12	H7	30.4°	30.0°
C8	C7	C12	H9	150.4°	150.0°
C12	C7	C8	C9	179.9°	180.0°
C12	C7	C8	H4	0.1°	0.0°
C7	C12	H8	H7	120.0°	120.0°
C7	C12	H8	H9	120.0°	119.9°
C7	C12	H7	H9	120.0°	120.0°
C8	C9	C10	C13	179.7°	179.9°
C8	C9	C10	C11	0.0°	0.0°
C8	C9	C10	H5	180.0°	179.9°
C8	C9	C13	H11	89.9°	90.0°
C8	C9	C13	H10	150.1°	150.0°
C8	C9	C13	H12	30.1°	30.0°
C9	C10	C11	H5	180.0°	179.9°
C10	C9	C8	H4	179.8°	180.0°
C10	C9	C13	H11	89.9°	90.1°
C10	C9	C13	H10	30.1°	30.0°
C10	C9	C13	H12	150.2°	150.0°
C9	C10	C11	H6	179.5°	180.0°
C13	C9	C10	C11	179.8°	180.0°
C13	C9	C8	H4	0.1°	0.0°
C13	C9	C10	H5	0.2°	0.1°
C9	C13	H11	H10	120.0°	120.0°
C9	C13	H11	H12	120.0°	120.0°
C9	C13	H10	H12	120.0°	119.9°
H5	C10	C11	H6	0.5°	0.1°
H11	C13	H10	H12	120.0°	120.1°
H8	C12	H7	H9	120.0°	120.0°
H14	C14	H13	H15	120.0°	120.0°

Release date:	2024-07-31
Definition date:	2024-05-16
Last modified:	2024-07-26
Release status:	REL
Processing site:	RCSB
Derived from:	9BRX