A1A93

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
I1	C7	sing	2.09Å	2.05Å
C8	C7	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.38Å	1.41Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C9	C4	doub	1.38Å	1.40Å	Aromatic
C6	C5	doub	1.38Å	1.42Å	Aromatic
C4	C5	sing	1.38Å	1.41Å	Aromatic
C4	C3	sing	1.51Å	1.55Å
O1	C1	sing	1.43Å	1.40Å
C2	C3	sing	1.53Å	1.60Å
C2	C1	sing	1.53Å	1.59Å
C2	N1	sing	1.47Å	1.49Å
N1	C10	sing	1.38Å	1.43Å
C10	N2	doub	1.33Å	1.38Å	Aromatic
C10	C13	sing	1.40Å	1.44Å	Aromatic
C14	C13	sing	1.46Å	1.45Å	Aromatic
C14	C15	doub	1.34Å	1.39Å	Aromatic
N2	C11	sing	1.32Å	1.39Å	Aromatic
C13	C12	doub	1.41Å	1.44Å	Aromatic
C15	N4	sing	1.37Å	1.37Å	Aromatic
C11	N3	doub	1.31Å	1.35Å	Aromatic
C12	N4	sing	1.37Å	1.36Å	Aromatic
C12	N3	sing	1.33Å	1.37Å	Aromatic
O1	H2	sing	0.97Å	0.95Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C2	H1	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
C8	H9	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
N1	H11	sing	0.97Å	1.00Å
N4	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
I1	C7	C8	118.8°	120.0°
I1	C7	C6	120.3°	120.0°
C7	C8	C9	118.9°	120.0°
C8	C7	C6	120.9°	120.0°
C7	C8	H9	120.6°	120.0°
C8	C9	C4	123.4°	120.0°
C9	C8	H9	120.6°	120.0°
C8	C9	H10	118.3°	120.0°
C7	C6	C5	118.9°	120.0°
C7	C6	H8	120.5°	120.0°
C9	C4	C5	115.2°	120.0°
C9	C4	C3	121.3°	120.0°
C4	C9	H10	118.3°	120.0°
C6	C5	C4	122.6°	120.0°
C6	C5	H7	118.7°	120.0°
C5	C6	H8	120.6°	120.0°
C5	C4	C3	123.5°	120.0°
C4	C5	H7	118.7°	120.0°
C4	C3	C2	117.6°	109.5°
C4	C3	H6	107.4°	109.4°
C4	C3	H5	107.4°	109.5°
O1	C1	C2	109.7°	109.5°
C1	O1	H2	109.5°	114.0°
O1	C1	H3	109.4°	109.5°
O1	C1	H4	109.4°	109.4°
C3	C2	C1	111.0°	109.5°
C3	C2	N1	113.2°	109.5°
C3	C2	H1	106.8°	109.5°
C2	C3	H6	107.4°	109.5°
C2	C3	H5	107.4°	109.5°
C1	C2	N1	110.6°	109.4°
C2	C1	H3	109.4°	109.5°
C2	C1	H4	109.4°	109.5°
C1	C2	H1	106.9°	109.4°
C2	N1	C10	126.8°	120.0°
N1	C2	H1	108.1°	109.5°
C2	N1	H11	105.0°	119.9°
N1	C10	N2	119.0°	120.8°
N1	C10	C13	122.5°	120.8°
C10	N1	H11	105.0°	120.0°
N2	C10	C13	118.5°	118.3°
C10	N2	C11	119.5°	121.0°
C10	C13	C14	139.8°	135.1°
C10	C13	C12	115.0°	118.7°
C13	C14	C15	107.7°	106.8°
C14	C13	C12	105.2°	106.2°
C13	C14	H13	126.2°	126.6°
C14	C15	N4	108.4°	109.8°
C15	C14	H13	126.1°	126.6°
C14	C15	H14	125.8°	125.1°
N2	C11	N3	127.9°	122.7°
N2	C11	H12	116.0°	118.6°
C13	C12	N4	108.2°	107.2°
C13	C12	N3	128.0°	118.5°
C15	N4	C12	110.5°	110.0°
N4	C15	H14	125.8°	125.1°
C15	N4	H15	124.7°	125.0°
C11	N3	C12	111.2°	120.7°
N3	C11	H12	116.0°	118.6°
N4	C12	N3	123.8°	134.3°
C12	N4	H15	124.8°	125.0°
H3	C1	H4	109.5°	109.5°
H6	C3	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
I1	C7	C8	C6	180.0°	180.0°
I1	C7	C8	C9	179.9°	179.8°
I1	C7	C6	C5	180.0°	179.9°
I1	C7	C6	H8	0.1°	0.0°
I1	C7	C8	H9	0.1°	0.0°
C7	C8	C9	H9	180.0°	179.7°
C7	C8	C9	C4	0.2°	0.5°
C8	C7	C6	C5	0.0°	0.0°
C8	C7	C6	H8	180.0°	180.0°
C7	C8	C9	H10	179.8°	180.0°
C9	C8	C7	C6	0.1°	0.2°
C8	C9	C4	H10	180.0°	179.4°
C8	C9	C4	C5	0.5°	0.5°
C8	C9	C4	C3	179.7°	179.7°
C7	C6	C5	H8	180.0°	179.9°
C7	C6	C5	C4	0.3°	0.0°
C7	C6	C5	H7	179.7°	180.0°
C6	C7	C8	H9	179.9°	180.0°
C9	C4	C5	C6	0.6°	0.2°
C9	C4	C5	C3	179.1°	179.8°
C9	C4	C3	C2	122.6°	90.2°
C9	C4	C3	H6	116.3°	149.7°
C9	C4	C3	H5	1.4°	29.7°
C9	C4	C5	H7	179.5°	179.7°
C4	C9	C8	H9	179.8°	179.7°
C6	C5	C4	H7	180.0°	179.9°
C6	C5	C4	C3	179.7°	180.0°
C5	C4	C3	C2	58.4°	90.0°
C5	C4	C3	H6	62.8°	30.1°
C5	C4	C3	H5	179.6°	150.0°
C4	C5	C6	H8	179.7°	180.0°
C5	C4	C9	H10	179.5°	180.0°
C4	C3	C2	H6	121.2°	120.0°
C4	C3	C2	H5	121.2°	120.0°
C4	C3	C2	C1	155.9°	175.0°
C4	C3	C2	N1	79.1°	65.0°
C4	C3	C2	H1	39.6°	55.1°
C4	C3	H6	H5	116.3°	120.0°
C3	C4	C5	H7	0.4°	0.1°
C3	C4	C9	H10	0.4°	0.2°
O1	C1	C2	C3	44.1°	55.0°
O1	C1	C2	H3	120.0°	120.0°
O1	C1	C2	H4	120.0°	120.0°
O1	C1	C2	N1	170.6°	65.0°
O1	C1	H3	H4	119.9°	119.9°
O1	C1	C2	H1	72.0°	175.0°
C3	C2	C1	N1	126.5°	120.0°
C3	C2	C1	H1	116.1°	120.0°
C3	C2	N1	H1	118.1°	120.1°
C3	C2	N1	C10	66.7°	155.0°
C3	C2	C1	H3	75.9°	175.0°
C3	C2	C1	H4	164.2°	65.0°
C2	C3	H6	H5	116.3°	120.0°
C3	C2	N1	H11	170.9°	25.0°
C1	C2	N1	H1	116.7°	120.0°
C1	C2	N1	C10	58.5°	85.0°
C2	C1	O1	H2	180.0°	180.0°
C2	C1	H3	H4	119.9°	120.0°
C1	C2	C3	H6	83.0°	55.0°
C1	C2	C3	H5	34.7°	65.0°
C1	C2	N1	H11	63.8°	95.0°
C2	N1	C10	H11	122.3°	180.0°
C2	N1	C10	N2	3.3°	0.0°
C2	N1	C10	C13	176.7°	179.7°
N1	C2	C1	H3	50.6°	55.0°
N1	C2	C1	H4	69.4°	175.0°
N1	C2	C3	H6	42.0°	175.0°
N1	C2	C3	H5	159.7°	55.0°
N1	C10	N2	C13	180.0°	179.7°
N1	C10	C13	C14	0.2°	0.3°
N1	C10	N2	C11	180.0°	179.7°
N1	C10	C13	C12	179.9°	179.7°
C10	N1	C2	H1	175.2°	35.0°
N2	C10	C13	C14	179.7°	180.0°
N2	C10	C13	C12	0.1°	0.0°
C10	N2	C11	N3	0.0°	0.0°
C10	N2	C11	H12	180.0°	180.0°
N2	C10	N1	H11	125.6°	180.0°
C10	C13	C14	C12	179.7°	180.0°
C10	C13	C14	C15	179.9°	180.0°
C13	C10	N2	C11	0.0°	0.0°
C10	C13	C12	N4	179.9°	180.0°
C10	C13	C12	N3	0.1°	0.1°
C10	C13	C14	H13	0.1°	0.0°
C13	C10	N1	H11	54.4°	0.3°
C13	C14	C15	H13	180.0°	180.0°
C13	C14	C15	N4	0.2°	0.0°
C14	C13	C12	N4	0.1°	0.0°
C14	C13	C12	N3	179.9°	179.9°
C13	C14	C15	H14	179.8°	180.0°
C15	C14	C13	C12	0.2°	0.0°
C14	C15	N4	H14	180.0°	180.0°
C14	C15	N4	C12	0.2°	0.0°
C14	C15	N4	H15	179.8°	179.9°
N2	C11	N3	H12	180.0°	179.9°
N2	C11	N3	C12	0.1°	0.0°
C13	C12	N4	C15	0.1°	0.0°
C13	C12	N3	C11	0.1°	0.0°
C13	C12	N4	N3	180.0°	179.9°
C12	C13	C14	H13	179.8°	180.0°
C13	C12	N4	H15	179.9°	180.0°
C15	N4	C12	H15	180.0°	180.0°
C15	N4	C12	N3	179.9°	179.9°
N4	C15	C14	H13	179.8°	180.0°
C11	N3	C12	N4	179.9°	179.9°
C12	N4	C15	H14	179.8°	179.9°
C12	N3	C11	H12	179.9°	180.0°
N3	C12	N4	H15	0.1°	0.0°
H2	O1	C1	H3	60.0°	59.9°
H2	O1	C1	H4	59.9°	60.0°
H3	C1	C2	H1	168.0°	65.0°
H4	C1	C2	H1	48.0°	55.0°
H1	C2	C3	H6	160.8°	64.9°
H1	C2	C3	H5	81.5°	175.1°
H1	C2	N1	H11	52.9°	145.0°
H7	C5	C6	H8	0.3°	0.1°
H9	C8	C9	H10	0.2°	0.3°
H13	C14	C15	H14	0.2°	0.0°
H14	C15	N4	H15	0.2°	0.1°

Release date:	2025-06-11
Definition date:	2024-09-24
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HEO