A1A60

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C6	doub	1.35Å	1.37Å	Aromatic
C7	C4	sing	1.41Å	1.44Å	Aromatic
C6	O2	sing	1.34Å	1.35Å	Aromatic
C3	C4	sing	1.51Å	1.49Å
C3	C2	sing	1.53Å	1.59Å
C4	C5	doub	1.34Å	1.37Å	Aromatic
O2	C5	sing	1.34Å	1.35Å	Aromatic
O1	C1	sing	1.43Å	1.39Å
C1	C2	sing	1.53Å	1.57Å
C2	N1	sing	1.47Å	1.47Å
N1	C8	sing	1.38Å	1.38Å
C8	C11	doub	1.40Å	1.43Å	Aromatic
C8	N2	sing	1.33Å	1.37Å	Aromatic
C12	C11	sing	1.46Å	1.44Å	Aromatic
C12	C13	doub	1.34Å	1.38Å	Aromatic
C11	C10	sing	1.41Å	1.43Å	Aromatic
N2	C9	doub	1.32Å	1.37Å	Aromatic
C13	N4	sing	1.37Å	1.40Å	Aromatic
C9	N3	sing	1.32Å	1.33Å	Aromatic
C10	N4	sing	1.37Å	1.38Å	Aromatic
C10	N3	doub	1.33Å	1.37Å	Aromatic
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
N1	H10	sing	0.97Å	1.00Å
N4	H14	sing	0.97Å	1.00Å
O1	H2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C7	C4	107.0°	106.8°
C7	C6	O2	110.9°	108.5°
C7	C6	H8	124.5°	125.8°
C6	C7	H9	126.5°	126.6°
C7	C4	C3	125.6°	126.6°
C7	C4	C5	102.9°	106.9°
C4	C7	H9	126.5°	126.6°
C6	O2	C5	105.6°	109.4°
O2	C6	H8	124.5°	125.8°
C4	C3	C2	114.4°	109.5°
C3	C4	C5	131.4°	126.6°
C4	C3	H5	108.2°	109.5°
C4	C3	H6	108.2°	109.4°
C3	C2	C1	109.4°	109.5°
C3	C2	N1	111.8°	109.4°
C2	C3	H5	108.3°	109.5°
C2	C3	H6	108.2°	109.4°
C3	C2	H1	107.6°	109.5°
C4	C5	O2	113.5°	108.4°
C4	C5	H7	123.3°	125.8°
O2	C5	H7	123.2°	125.8°
O1	C1	C2	107.6°	109.6°
O1	C1	H3	109.9°	109.4°
O1	C1	H4	109.9°	109.5°
C1	O1	H2	109.5°	114.1°
C1	C2	N1	110.8°	109.4°
C2	C1	H3	109.9°	109.5°
C2	C1	H4	109.9°	109.5°
C1	C2	H1	107.9°	109.5°
C2	N1	C8	127.0°	120.0°
N1	C2	H1	109.2°	109.5°
C2	N1	H10	104.9°	120.0°
N1	C8	C11	123.3°	120.8°
N1	C8	N2	116.6°	120.9°
C8	N1	H10	105.0°	120.0°
C11	C8	N2	120.1°	118.3°
C8	C11	C12	140.9°	135.1°
C8	C11	C10	114.2°	118.7°
C8	N2	C9	117.0°	121.1°
C11	C12	C13	109.7°	106.8°
C12	C11	C10	104.8°	106.2°
C11	C12	H12	125.2°	126.6°
C12	C13	N4	107.2°	109.8°
C13	C12	H12	125.2°	126.6°
C12	C13	H13	126.4°	125.1°
C11	C10	N4	108.7°	107.1°
C11	C10	N3	127.5°	118.5°
N2	C9	N3	130.3°	122.7°
N2	C9	H11	114.8°	118.7°
C13	N4	C10	109.6°	110.0°
N4	C13	H13	126.4°	125.1°
C13	N4	H14	125.2°	125.0°
C9	N3	C10	110.7°	120.7°
N3	C9	H11	114.9°	118.7°
N4	C10	N3	123.8°	134.3°
C10	N4	H14	125.2°	125.0°
H5	C3	H6	109.5°	109.5°
H3	C1	H4	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C7	C4	H9	180.0°	180.0°
C7	C6	O2	H8	180.0°	179.8°
C6	C7	C4	C3	179.4°	180.0°
C6	C7	C4	C5	0.4°	0.2°
C7	C6	O2	C5	0.9°	0.2°
C4	C7	C6	O2	0.3°	0.0°
C7	C4	C3	C5	178.7°	179.7°
C7	C4	C3	C2	124.5°	89.6°
C7	C4	C5	O2	0.9°	0.4°
C7	C4	C3	H5	3.8°	150.4°
C7	C4	C3	H6	114.8°	30.3°
C4	C7	C6	H8	179.7°	179.8°
C7	C4	C5	H7	179.1°	179.7°
C6	O2	C5	C4	1.2°	0.4°
C6	O2	C5	H7	178.9°	179.7°
O2	C6	C7	H9	179.6°	179.9°
C4	C3	C2	H5	120.7°	120.1°
C4	C3	C2	H6	120.7°	119.9°
C3	C4	C5	O2	179.9°	179.9°
C4	C3	C2	C1	170.9°	175.0°
C4	C3	C2	N1	66.1°	65.0°
C4	C3	H5	H6	117.8°	120.0°
C4	C3	C2	H1	53.8°	55.0°
C3	C4	C5	H7	0.1°	0.0°
C3	C4	C7	H9	0.7°	0.0°
C2	C3	C4	C5	56.7°	90.1°
C3	C2	C1	O1	56.4°	55.0°
C3	C2	C1	N1	123.7°	119.9°
C3	C2	C1	H1	116.8°	120.1°
C3	C2	N1	H1	119.0°	120.0°
C3	C2	N1	C8	152.0°	155.0°
C2	C3	H5	H6	117.8°	120.0°
C3	C2	C1	H3	176.1°	175.0°
C3	C2	C1	H4	63.3°	65.1°
C3	C2	N1	H10	85.6°	25.0°
C4	C5	O2	H7	180.0°	179.9°
C5	C4	C3	H5	177.5°	29.9°
C5	C4	C3	H6	64.0°	150.0°
C5	C4	C7	H9	179.7°	179.7°
C5	O2	C6	H8	179.1°	179.9°
O1	C1	C2	H3	119.7°	120.0°
O1	C1	C2	H4	119.7°	120.0°
O1	C1	C2	N1	180.0°	65.0°
O1	C1	H3	H4	120.9°	119.9°
O1	C1	C2	H1	60.5°	175.0°
C1	C2	N1	H1	118.7°	120.0°
C1	C2	N1	C8	85.7°	85.1°
C1	C2	C3	H5	50.1°	64.9°
C1	C2	C3	H6	68.4°	55.1°
C2	C1	H3	H4	120.9°	120.0°
C1	C2	N1	H10	36.6°	95.0°
C2	C1	O1	H2	180.0°	180.0°
C2	N1	C8	H10	122.3°	179.9°
C2	N1	C8	C11	175.3°	180.0°
C2	N1	C8	N2	4.9°	0.1°
N1	C2	C3	H5	173.2°	55.0°
N1	C2	C3	H6	54.6°	175.0°
N1	C2	C1	H3	60.3°	55.1°
N1	C2	C1	H4	60.3°	175.0°
N1	C8	C11	N2	179.8°	179.9°
N1	C8	C11	C12	0.4°	0.1°
N1	C8	C11	C10	179.8°	179.9°
N1	C8	N2	C9	179.7°	179.9°
C8	N1	C2	H1	33.0°	34.9°
C8	C11	C12	C10	179.4°	180.0°
C8	C11	C12	C13	180.0°	180.0°
C11	C8	N2	C9	0.0°	0.0°
C8	C11	C10	N4	179.9°	180.0°
C8	C11	C10	N3	0.4°	0.0°
C8	C11	C12	H12	0.1°	0.1°
C11	C8	N1	H10	62.3°	0.1°
N2	C8	C11	C12	179.4°	180.0°
N2	C8	C11	C10	0.0°	0.1°
C8	N2	C9	N3	0.5°	0.0°
C8	N2	C9	H11	179.5°	180.0°
N2	C8	N1	H10	117.4°	180.0°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	N4	0.5°	0.0°
C12	C11	C10	N4	0.4°	0.0°
C12	C11	C10	N3	180.0°	180.0°
C11	C12	C13	H13	179.5°	180.0°
C13	C12	C11	C10	0.5°	0.0°
C12	C13	N4	H13	180.0°	179.9°
C12	C13	N4	C10	0.3°	0.0°
C12	C13	N4	H14	179.7°	179.9°
C11	C10	N4	C13	0.0°	0.0°
C11	C10	N3	C9	0.8°	0.0°
C11	C10	N4	N3	179.6°	180.0°
C10	C11	C12	H12	179.5°	179.9°
C11	C10	N4	H14	180.0°	179.9°
N2	C9	N3	H11	180.0°	180.0°
N2	C9	N3	C10	0.8°	0.0°
C13	N4	C10	H14	180.0°	179.9°
C13	N4	C10	N3	179.7°	180.0°
N4	C13	C12	H12	179.5°	179.9°
C9	N3	C10	N4	179.7°	180.0°
C10	N4	C13	H13	179.7°	180.0°
C10	N3	C9	H11	179.1°	180.0°
N3	C10	N4	H14	0.3°	0.1°
H5	C3	C2	H1	66.9°	175.0°
H6	C3	C2	H1	174.5°	65.0°
H8	C6	C7	H9	0.4°	0.2°
H12	C12	C13	H13	0.5°	0.0°
H3	C1	C2	H1	59.2°	65.0°
H3	C1	O1	H2	60.3°	60.0°
H4	C1	C2	H1	179.8°	55.0°
H4	C1	O1	H2	60.3°	59.9°
H13	C13	N4	H14	0.3°	0.2°
H1	C2	N1	H10	155.4°	145.0°

Release date:	2025-06-11
Definition date:	2024-09-16
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HD2