A1A19

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C7	C6	doub	1.38Å	1.40Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.51Å	1.47Å
C6	C11	sing	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.51Å	1.51Å
C5	N1	sing	1.47Å	1.49Å
C3	N1	sing	1.37Å	1.41Å	Aromatic
C3	C2	doub	1.34Å	1.39Å	Aromatic
N1	C12	sing	1.37Å	1.37Å	Aromatic
C2	C1	sing	1.51Å	1.48Å
C2	C15	sing	1.46Å	1.45Å	Aromatic
C12	N2	doub	1.33Å	1.36Å	Aromatic
C12	C15	sing	1.41Å	1.43Å	Aromatic
N2	C13	sing	1.32Å	1.34Å	Aromatic
C15	C14	doub	1.40Å	1.42Å	Aromatic
C13	N3	doub	1.32Å	1.37Å	Aromatic
C14	N3	sing	1.33Å	1.37Å	Aromatic
C14	N4	sing	1.38Å	1.39Å
C9	H11	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
N4	H15	sing	0.97Å	1.00Å
N4	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	120.2°	120.0°
C8	C9	C10	119.4°	120.0°
C8	C9	H11	120.3°	120.0°
C9	C8	H10	119.9°	120.0°
C8	C7	C6	120.7°	120.0°
C8	C7	H9	119.6°	120.1°
C7	C8	H10	119.9°	119.9°
C9	C10	C11	120.6°	120.0°
C10	C9	H11	120.3°	120.0°
C9	C10	H12	119.7°	120.0°
C7	C6	C11	118.9°	120.0°
C7	C6	C5	119.0°	120.0°
C6	C7	H9	119.6°	119.9°
C10	C11	C6	120.1°	120.0°
C11	C10	H12	119.7°	120.0°
C10	C11	H13	119.9°	120.0°
C4	C3	N1	116.3°	125.1°
C4	C3	C2	134.8°	125.1°
C3	C4	H4	109.5°	109.5°
C3	C4	H5	109.5°	109.5°
C3	C4	H6	109.5°	109.5°
C11	C6	C5	122.1°	120.0°
C6	C11	H13	119.9°	120.0°
C6	C5	N1	115.2°	109.5°
C6	C5	H7	108.0°	109.5°
C6	C5	H8	108.0°	109.5°
C5	N1	C3	129.6°	125.0°
C5	N1	C12	121.9°	125.0°
N1	C5	H7	108.0°	109.5°
N1	C5	H8	108.0°	109.4°
N1	C3	C2	108.9°	109.8°
C3	N1	C12	108.5°	110.1°
C3	C2	C1	121.4°	126.6°
C3	C2	C15	107.7°	106.8°
N1	C12	N2	121.5°	134.3°
N1	C12	C15	109.3°	107.1°
C1	C2	C15	130.9°	126.6°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C15	C12	105.6°	106.2°
C2	C15	C14	142.6°	135.1°
N2	C12	C15	129.1°	118.5°
C12	N2	C13	112.0°	120.8°
C12	C15	C14	111.8°	118.7°
N2	C13	N3	127.0°	122.7°
N2	C13	H14	116.5°	118.7°
C15	C14	N3	121.7°	118.3°
C15	C14	N4	123.2°	120.8°
C13	N3	C14	118.4°	121.0°
N3	C13	H14	116.5°	118.6°
N3	C14	N4	115.2°	120.9°
C14	N4	H15	109.5°	120.0°
C14	N4	H16	109.5°	120.0°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.4°	109.5°
H4	C4	H5	109.5°	109.5°
H4	C4	H6	109.5°	109.5°
H5	C4	H6	109.4°	109.5°
H7	C5	H8	109.4°	109.5°
H15	N4	H16	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H10	180.0°	179.7°
C8	C9	C10	H11	180.0°	179.5°
C9	C8	C7	C6	0.3°	0.0°
C8	C9	C10	C11	0.2°	0.5°
C8	C9	C10	H12	179.8°	179.4°
C9	C8	C7	H9	179.7°	180.0°
C7	C8	C9	C10	0.0°	0.3°
C8	C7	C6	H9	180.0°	180.0°
C8	C7	C6	C11	0.4°	0.0°
C8	C7	C6	C5	179.7°	179.8°
C7	C8	C9	H11	180.0°	179.7°
C9	C10	C11	H12	180.0°	179.9°
C9	C10	C11	C6	0.1°	0.5°
C9	C10	C11	H13	179.9°	179.4°
C10	C9	C8	H10	180.0°	180.0°
C7	C6	C11	C10	0.2°	0.3°
C7	C6	C11	C5	179.2°	179.7°
C7	C6	C5	N1	164.1°	89.7°
C7	C6	C11	H13	179.8°	179.7°
C7	C6	C5	H7	43.2°	30.3°
C7	C6	C5	H8	75.1°	150.3°
C6	C7	C8	H10	179.7°	179.8°
C10	C11	C6	H13	180.0°	179.9°
C10	C11	C6	C5	179.4°	180.0°
C11	C10	C9	H11	179.8°	180.0°
C4	C3	N1	C5	2.1°	0.0°
C4	C3	N1	C2	179.6°	180.0°
C4	C3	N1	C12	179.3°	180.0°
C4	C3	C2	C1	0.0°	0.0°
C4	C3	C2	C15	179.8°	180.0°
C3	C4	H4	H5	120.0°	120.0°
C3	C4	H4	H6	120.0°	120.0°
C3	C4	H5	H6	120.0°	120.0°
C11	C6	C5	N1	16.7°	90.0°
C6	C11	C10	H12	179.9°	179.4°
C11	C6	C5	H7	137.5°	150.0°
C11	C6	C5	H8	104.2°	30.0°
C11	C6	C7	H9	179.6°	180.0°
C6	C5	N1	H7	120.9°	120.0°
C6	C5	N1	H8	120.8°	120.0°
C6	C5	N1	C3	80.2°	90.0°
C6	C5	N1	C12	102.9°	89.9°
C5	C6	C11	H13	0.6°	0.0°
C6	C5	H7	H8	117.4°	120.0°
C5	C6	C7	H9	0.4°	0.3°
C5	N1	C3	C12	177.2°	179.9°
C5	N1	C3	C2	178.4°	180.0°
C5	N1	C12	N2	1.9°	0.1°
C5	N1	C12	C15	178.6°	180.0°
N1	C5	H7	H8	117.4°	119.9°
N1	C3	C2	C1	179.4°	180.0°
N1	C3	C2	C15	0.8°	0.0°
C3	N1	C12	N2	179.4°	180.0°
C3	N1	C12	C15	1.1°	0.0°
N1	C3	C4	H4	89.8°	90.0°
N1	C3	C4	H5	150.2°	150.0°
N1	C3	C4	H6	30.2°	30.0°
C3	N1	C5	H7	158.9°	30.0°
C3	N1	C5	H8	40.6°	150.0°
C2	C3	N1	C12	1.2°	0.0°
C3	C2	C1	C15	179.7°	180.0°
C3	C2	C15	C12	0.1°	0.0°
C3	C2	C15	C14	179.8°	180.0°
C3	C2	C1	H1	90.1°	90.0°
C3	C2	C1	H2	149.9°	150.0°
C3	C2	C1	H3	29.9°	30.0°
C2	C3	C4	H4	89.6°	90.0°
C2	C3	C4	H5	30.4°	30.0°
C2	C3	C4	H6	150.3°	150.0°
N1	C12	C15	C2	0.6°	0.0°
N1	C12	N2	C15	179.4°	180.0°
N1	C12	N2	C13	179.4°	180.0°
N1	C12	C15	C14	179.5°	180.0°
C12	N1	C5	H7	18.0°	150.1°
C12	N1	C5	H8	136.3°	30.1°
C1	C2	C15	C12	179.9°	180.0°
C1	C2	C15	C14	0.0°	0.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	119.9°
C2	C1	H2	H3	120.0°	120.0°
C2	C15	C12	N2	179.9°	180.0°
C2	C15	C12	C14	179.9°	180.0°
C2	C15	C14	N3	179.7°	180.0°
C2	C15	C14	N4	0.2°	0.0°
C15	C2	C1	H1	90.2°	90.0°
C15	C2	C1	H2	29.9°	30.0°
C15	C2	C1	H3	149.9°	150.0°
N2	C12	C15	C14	0.0°	0.0°
C12	N2	C13	N3	0.4°	0.0°
C12	N2	C13	H14	179.6°	180.0°
C15	C12	N2	C13	0.0°	0.0°
C12	C15	C14	N3	0.4°	0.0°
C12	C15	C14	N4	179.9°	180.0°
N2	C13	N3	H14	180.0°	180.0°
N2	C13	N3	C14	0.9°	0.0°
C15	C14	N3	C13	0.9°	0.0°
C15	C14	N3	N4	179.5°	180.0°
C15	C14	N4	H15	179.5°	180.0°
C15	C14	N4	H16	60.5°	0.0°
C13	N3	C14	N4	179.6°	180.0°
C14	N3	C13	H14	179.1°	180.0°
N3	C14	N4	H15	0.0°	0.0°
N3	C14	N4	H16	120.0°	180.0°
C14	N4	H15	H16	120.0°	180.0°
H11	C9	C10	H12	0.2°	0.0°
H11	C9	C8	H10	0.0°	0.5°
H1	C1	H2	H3	119.9°	120.0°
H12	C10	C11	H13	0.1°	0.6°
H4	C4	H5	H6	120.0°	120.0°
H9	C7	C8	H10	0.3°	0.3°

Release date:	2025-06-11
Definition date:	2024-08-15
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HCI