A1BAA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C6	sing	1.43Å	1.41Å
C2	C1	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.58Å
C6	C3	sing	1.53Å	1.60Å
C3	N1	sing	1.47Å	1.55Å
C3	C4	sing	1.53Å	1.60Å
N1	C7	sing	1.38Å	1.43Å
C4	C5	sing	1.53Å	1.54Å
C7	C10	doub	1.40Å	1.46Å	Aromatic
C7	N2	sing	1.33Å	1.39Å	Aromatic
C11	C10	sing	1.46Å	1.47Å	Aromatic
C11	C12	doub	1.34Å	1.39Å	Aromatic
C10	C9	sing	1.41Å	1.45Å	Aromatic
N2	C8	doub	1.32Å	1.39Å	Aromatic
C12	N4	sing	1.37Å	1.35Å	Aromatic
C8	N3	sing	1.32Å	1.34Å	Aromatic
C9	N4	sing	1.37Å	1.36Å	Aromatic
C9	N3	doub	1.33Å	1.38Å	Aromatic
O1	H13	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C8	H15	sing	1.08Å	1.08Å
C11	H16	sing	1.08Å	1.08Å
C12	H17	sing	1.08Å	1.08Å
N1	H14	sing	0.97Å	1.00Å
N4	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C6	C3	110.6°	109.5°
C6	O1	H13	109.5°	114.1°
O1	C6	H12	109.2°	109.4°
O1	C6	H11	109.2°	109.5°
C1	C2	C3	113.4°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	108.5°	109.5°
C1	C2	H5	108.5°	109.5°
C2	C3	C6	111.3°	109.5°
C2	C3	N1	109.0°	109.4°
C2	C3	C4	110.1°	109.5°
C3	C2	H4	108.5°	109.4°
C3	C2	H5	108.5°	109.5°
C6	C3	N1	107.9°	109.5°
C6	C3	C4	106.2°	109.5°
C3	C6	H12	109.2°	109.5°
C3	C6	H11	109.2°	109.5°
N1	C3	C4	112.3°	109.4°
C3	N1	C7	127.7°	120.0°
C3	N1	H14	104.8°	120.0°
C3	C4	C5	114.9°	109.5°
C3	C4	H6	108.1°	109.5°
C3	C4	H7	108.1°	109.4°
N1	C7	C10	123.4°	120.8°
N1	C7	N2	120.0°	120.9°
C7	N1	H14	104.7°	120.0°
C5	C4	H6	108.1°	109.5°
C5	C4	H7	108.1°	109.5°
C4	C5	H8	109.5°	109.4°
C4	C5	H10	109.4°	109.5°
C4	C5	H9	109.5°	109.5°
C10	C7	N2	116.6°	118.3°
C7	C10	C11	139.7°	135.1°
C7	C10	C9	115.5°	118.7°
C7	N2	C8	121.5°	121.1°
C10	C11	C12	107.8°	106.8°
C11	C10	C9	104.8°	106.2°
C10	C11	H16	126.1°	126.6°
C11	C12	N4	107.4°	109.8°
C12	C11	H16	126.1°	126.6°
C11	C12	H17	126.3°	125.1°
C10	C9	N4	106.2°	107.2°
C10	C9	N3	127.4°	118.5°
N2	C8	N3	126.9°	122.7°
N2	C8	H15	116.5°	118.7°
C12	N4	C9	113.8°	110.0°
N4	C12	H17	126.3°	125.1°
C12	N4	H18	123.1°	124.9°
C8	N3	C9	112.2°	120.7°
N3	C8	H15	116.5°	118.6°
N4	C9	N3	126.5°	134.3°
C9	N4	H18	123.1°	125.0°
H2	C1	H1	109.5°	109.5°
H2	C1	H3	109.4°	109.5°
H1	C1	H3	109.4°	109.5°
H4	C2	H5	109.5°	109.4°
H6	C4	H7	109.5°	109.4°
H8	C5	H10	109.4°	109.5°
H8	C5	H9	109.5°	109.4°
H10	C5	H9	109.5°	109.5°
H12	C6	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C6	C3	C2	13.2°	60.1°
O1	C6	C3	H12	120.2°	120.0°
O1	C6	C3	H11	120.2°	120.0°
O1	C6	C3	N1	106.4°	180.0°
O1	C6	C3	C4	133.0°	60.0°
O1	C6	H12	H11	119.5°	120.0°
C1	C2	C3	H4	120.6°	120.1°
C1	C2	C3	H5	120.6°	120.0°
C1	C2	C3	C6	138.2°	60.0°
C1	C2	C3	N1	19.3°	60.0°
C1	C2	C3	C4	104.2°	180.0°
C2	C1	H2	H1	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C1	C2	H4	H5	118.2°	120.0°
C2	C3	C6	N1	119.5°	120.0°
C2	C3	C6	C4	119.9°	120.0°
C2	C3	N1	C4	122.3°	120.0°
C2	C3	N1	C7	151.2°	60.0°
C2	C3	C4	C5	63.1°	175.0°
C3	C2	C1	H2	180.0°	60.0°
C3	C2	C1	H1	60.0°	60.0°
C3	C2	C1	H3	60.0°	180.0°
C3	C2	H4	H5	118.2°	119.9°
C2	C3	C4	H6	57.7°	54.9°
C2	C3	C4	H7	176.1°	65.0°
C2	C3	C6	H12	107.0°	180.0°
C2	C3	C6	H11	133.3°	60.0°
C2	C3	N1	H14	86.4°	120.0°
C6	C3	N1	C4	116.7°	120.0°
C6	C3	N1	C7	87.8°	180.0°
C6	C3	C4	C5	176.3°	65.0°
C3	C6	O1	H13	180.0°	180.0°
C6	C3	C2	H4	101.2°	180.0°
C6	C3	C2	H5	17.7°	60.1°
C6	C3	C4	H6	62.9°	175.0°
C6	C3	C4	H7	55.5°	55.0°
C3	C6	H12	H11	119.5°	120.0°
C6	C3	N1	H14	34.6°	0.0°
C3	N1	C7	H14	122.4°	180.0°
N1	C3	C4	C5	58.6°	55.0°
C3	N1	C7	C10	148.8°	180.0°
C3	N1	C7	N2	31.9°	0.3°
N1	C3	C2	H4	139.9°	60.0°
N1	C3	C2	H5	101.2°	179.9°
N1	C3	C4	H6	179.4°	65.0°
N1	C3	C4	H7	62.2°	175.0°
N1	C3	C6	H12	133.5°	60.0°
N1	C3	C6	H11	13.8°	60.0°
C4	C3	N1	C7	28.9°	60.0°
C3	C4	C5	H6	120.8°	120.0°
C3	C4	C5	H7	120.8°	120.0°
C4	C3	C2	H4	16.4°	59.9°
C4	C3	C2	H5	135.2°	60.0°
C3	C4	H6	H7	117.5°	119.9°
C3	C4	C5	H8	180.0°	60.0°
C3	C4	C5	H10	60.0°	60.0°
C3	C4	C5	H9	60.0°	180.0°
C4	C3	C6	H12	12.9°	60.0°
C4	C3	C6	H11	106.8°	180.0°
C4	C3	N1	H14	151.3°	120.0°
N1	C7	C10	N2	179.3°	179.7°
N1	C7	C10	C11	0.4°	0.4°
N1	C7	C10	C9	179.6°	179.7°
N1	C7	N2	C8	179.6°	179.7°
C5	C4	H6	H7	117.5°	120.0°
C4	C5	H8	H10	120.0°	120.0°
C4	C5	H8	H9	120.0°	120.0°
C4	C5	H10	H9	120.0°	120.0°
C7	C10	C11	C9	179.9°	179.9°
C7	C10	C11	C12	179.7°	180.0°
C10	C7	N2	C8	0.2°	0.0°
C7	C10	C9	N4	180.0°	180.0°
C7	C10	C9	N3	0.5°	0.0°
C7	C10	C11	H16	0.2°	0.1°
C10	C7	N1	H14	88.8°	0.1°
N2	C7	C10	C11	179.8°	179.9°
N2	C7	C10	C9	0.3°	0.0°
C7	N2	C8	N3	0.2°	0.0°
C7	N2	C8	H15	179.8°	180.0°
N2	C7	N1	H14	90.5°	179.8°
C10	C11	C12	H16	180.0°	179.9°
C10	C11	C12	N4	0.4°	0.1°
C11	C10	C9	N4	0.1°	0.0°
C11	C10	C9	N3	179.6°	180.0°
C10	C11	C12	H17	179.6°	180.0°
C12	C11	C10	C9	0.2°	0.1°
C11	C12	N4	H17	180.0°	179.9°
C11	C12	N4	C9	0.5°	0.1°
C11	C12	N4	H18	179.5°	180.0°
C10	C9	N4	C12	0.3°	0.0°
C10	C9	N3	C8	0.4°	0.1°
C10	C9	N4	N3	179.5°	180.0°
C9	C10	C11	H16	179.8°	179.9°
C10	C9	N4	H18	179.7°	180.0°
N2	C8	N3	H15	180.0°	180.0°
N2	C8	N3	C9	0.3°	0.0°
C12	N4	C9	H18	180.0°	180.0°
C12	N4	C9	N3	179.8°	180.0°
N4	C12	C11	H16	179.6°	180.0°
C8	N3	C9	N4	179.9°	180.0°
C9	N4	C12	H17	179.6°	180.0°
C9	N3	C8	H15	179.7°	180.0°
N3	C9	N4	H18	0.1°	0.0°
H13	O1	C6	H12	59.8°	60.0°
H13	O1	C6	H11	59.8°	60.0°
H2	C1	H1	H3	119.9°	120.0°
H2	C1	C2	H4	59.4°	60.0°
H2	C1	C2	H5	59.4°	180.0°
H1	C1	C2	H4	60.6°	180.0°
H1	C1	C2	H5	179.5°	60.1°
H3	C1	C2	H4	179.4°	60.0°
H3	C1	C2	H5	60.6°	60.0°
H6	C4	C5	H8	59.2°	179.9°
H6	C4	C5	H10	179.2°	60.0°
H6	C4	C5	H9	60.8°	60.0°
H7	C4	C5	H8	59.2°	60.0°
H7	C4	C5	H10	60.8°	180.0°
H7	C4	C5	H9	179.2°	60.0°
H8	C5	H10	H9	120.0°	120.0°
H16	C11	C12	H17	0.3°	0.1°
H17	C12	N4	H18	0.4°	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:	7HEU