A1BGK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.44Å
O1	C2	sing	1.36Å	1.36Å
C2	C3	doub	1.39Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.37Å	Aromatic
C4	C5	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.48Å	1.50Å
C6	C7	doub	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.48Å	1.50Å
C12	O2	doub	1.22Å	1.22Å
C12	N1	sing	1.35Å	1.37Å
N1	C13	sing	1.41Å	1.41Å
C13	C14	sing	1.40Å	1.40Å	Aromatic
C14	N2	doub	1.31Å	1.33Å	Aromatic
N2	N3	sing	1.40Å	1.37Å	Aromatic
N3	C15	sing	1.46Å	1.46Å
N3	C16	sing	1.36Å	1.35Å	Aromatic
C5	C17	sing	1.39Å	1.39Å	Aromatic
C17	N4	doub	1.32Å	1.35Å	Aromatic
C2	N4	sing	1.32Å	1.32Å	Aromatic
C6	C11	sing	1.41Å	1.41Å	Aromatic
C13	C16	doub	1.36Å	1.40Å	Aromatic
N1	H10	sing	0.97Å	1.00Å
C4	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C15	H12	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C17	H16	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.08Å	1.08Å
C9	H8	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C2	118.0°	117.0°
O1	C1	H2	109.5°	109.5°
O1	C1	H1	109.5°	109.5°
O1	C1	H3	109.4°	109.5°
O1	C2	C3	118.8°	119.5°
O1	C2	N4	117.4°	119.5°
C2	C3	C4	117.7°	119.3°
C3	C2	N4	123.8°	120.9°
C2	C3	H4	121.1°	120.4°
C3	C4	C5	120.8°	118.3°
C3	C4	H5	119.6°	120.8°
C4	C3	H4	121.2°	120.3°
C4	C5	C6	121.7°	120.5°
C4	C5	C17	116.4°	119.1°
C5	C4	H5	119.6°	120.8°
C5	C6	C7	118.7°	120.2°
C6	C5	C17	121.9°	120.5°
C5	C6	C11	123.4°	120.2°
C6	C7	C8	121.8°	120.0°
C7	C6	C11	117.8°	119.6°
C6	C7	H6	119.1°	120.0°
C7	C8	C9	120.0°	120.4°
C8	C7	H6	119.1°	120.0°
C7	C8	H7	120.0°	119.8°
C8	C9	C10	119.8°	120.4°
C9	C8	H7	120.0°	119.8°
C8	C9	H8	120.1°	119.8°
C9	C10	C11	121.1°	120.0°
C9	C10	H9	119.4°	120.0°
C10	C9	H8	120.1°	119.8°
C10	C11	C12	116.2°	120.2°
C10	C11	C6	119.5°	119.5°
C11	C10	H9	119.5°	120.0°
C11	C12	O2	120.5°	120.0°
C11	C12	N1	117.2°	120.1°
C12	C11	C6	124.3°	120.3°
O2	C12	N1	122.3°	120.0°
C12	N1	C13	125.0°	120.1°
C12	N1	H10	117.5°	120.0°
N1	C13	C14	127.4°	126.0°
N1	C13	C16	127.9°	126.1°
C13	N1	H10	117.5°	120.0°
C13	C14	N2	112.1°	108.3°
C14	C13	C16	104.7°	107.9°
C13	C14	H11	124.0°	125.9°
C14	N2	N3	104.7°	108.4°
N2	C14	H11	123.9°	125.8°
N2	N3	C15	120.4°	126.1°
N2	N3	C16	112.0°	107.8°
C15	N3	C16	127.6°	126.1°
N3	C15	H12	109.5°	109.5°
N3	C15	H14	109.5°	109.5°
N3	C15	H13	109.5°	109.5°
N3	C16	C13	106.4°	107.6°
N3	C16	H15	126.8°	126.2°
C5	C17	N4	124.0°	120.6°
C5	C17	H16	118.0°	119.7°
C17	N4	C2	117.2°	121.8°
N4	C17	H16	118.0°	119.7°
C13	C16	H15	126.8°	126.3°
H12	C15	H14	109.4°	109.5°
H12	C15	H13	109.5°	109.5°
H14	C15	H13	109.5°	109.4°
H2	C1	H1	109.5°	109.4°
H2	C1	H3	109.5°	109.4°
H1	C1	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O1	C2	C3	124.9°	180.0°
C1	O1	C2	N4	55.1°	0.6°
O1	C1	H2	H1	120.0°	120.0°
O1	C1	H2	H3	120.0°	120.0°
O1	C1	H1	H3	120.0°	120.1°
O1	C2	C3	N4	180.0°	179.4°
O1	C2	C3	C4	180.0°	180.0°
O1	C2	N4	C17	179.9°	179.7°
C2	O1	C1	H2	180.0°	180.0°
C2	O1	C1	H1	60.0°	60.0°
C2	O1	C1	H3	60.0°	60.0°
O1	C2	C3	H4	0.0°	0.6°
C2	C3	C4	H4	180.0°	179.4°
C2	C3	C4	C5	0.6°	0.0°
C3	C2	N4	C17	0.1°	0.9°
C2	C3	C4	H5	179.4°	179.7°
C3	C4	C5	H5	180.0°	179.7°
C3	C4	C5	C6	179.2°	179.7°
C3	C4	C5	C17	1.3°	0.3°
C4	C3	C2	N4	0.0°	0.6°
C4	C5	C6	C17	177.8°	180.0°
C4	C5	C6	C7	66.5°	58.2°
C4	C5	C17	N4	1.5°	0.0°
C4	C5	C6	C11	116.5°	122.2°
C4	C5	C17	H16	178.5°	180.0°
C5	C4	C3	H4	179.4°	179.5°
C5	C6	C7	C11	177.2°	179.7°
C5	C6	C7	C8	178.6°	180.0°
C5	C6	C11	C10	178.6°	179.7°
C5	C6	C11	C12	3.5°	0.0°
C6	C5	C17	N4	179.4°	180.0°
C6	C5	C4	H5	0.8°	0.0°
C5	C6	C7	H6	1.4°	0.1°
C6	C5	C17	H16	0.6°	0.0°
C6	C7	C8	H6	180.0°	179.8°
C6	C7	C8	C9	0.6°	0.1°
C7	C6	C11	C10	1.6°	0.6°
C7	C6	C11	C12	179.4°	179.7°
C7	C6	C5	C17	111.3°	121.8°
C6	C7	C8	H7	179.4°	180.0°
C7	C8	C9	H7	180.0°	180.0°
C7	C8	C9	C10	0.2°	0.0°
C8	C7	C6	C11	1.4°	0.4°
C7	C8	C9	H8	179.8°	180.0°
C8	C9	C10	H8	180.0°	179.9°
C8	C9	C10	C11	0.0°	0.3°
C9	C8	C7	H6	179.4°	179.9°
C8	C9	C10	H9	180.0°	179.7°
C9	C10	C11	H9	180.0°	179.4°
C9	C10	C11	C12	178.9°	179.7°
C9	C10	C11	C6	0.9°	0.6°
C10	C9	C8	H7	179.8°	180.0°
C10	C11	C12	C6	177.9°	179.7°
C10	C11	C12	O2	127.3°	173.4°
C10	C11	C12	N1	51.4°	6.6°
C11	C10	C9	H8	180.0°	179.8°
C11	C12	O2	N1	178.6°	180.0°
C11	C12	N1	C13	177.1°	180.0°
C11	C12	N1	H10	2.9°	0.2°
C12	C11	C10	H9	1.1°	0.3°
O2	C12	N1	C13	4.3°	0.0°
O2	C12	C11	C6	50.6°	6.2°
O2	C12	N1	H10	175.7°	179.7°
C12	N1	C13	H10	180.0°	179.7°
C12	N1	C13	C14	172.1°	0.3°
N1	C12	C11	C6	130.7°	173.7°
C12	N1	C13	C16	8.2°	179.7°
N1	C13	C14	C16	179.8°	180.0°
N1	C13	C14	N2	179.9°	180.0°
N1	C13	C16	N3	179.9°	179.8°
N1	C13	C14	H11	0.2°	0.0°
N1	C13	C16	H15	0.2°	0.1°
C13	C14	N2	H11	180.0°	180.0°
C13	C14	N2	N3	0.0°	0.2°
C14	C13	C16	N3	0.1°	0.2°
C14	C13	N1	H10	8.0°	180.0°
C14	C13	C16	H15	180.0°	179.9°
C14	N2	N3	C15	179.7°	179.9°
C14	N2	N3	C16	0.0°	0.3°
N2	C14	C13	C16	0.1°	0.0°
N2	N3	C15	C16	179.7°	179.6°
N2	N3	C16	C13	0.1°	0.3°
N2	N3	C15	H12	0.0°	89.7°
N2	N3	C15	H14	120.0°	30.4°
N2	N3	C15	H13	120.0°	150.3°
N3	N2	C14	H11	180.0°	179.9°
N2	N3	C16	H15	180.0°	179.8°
C15	N3	C16	C13	179.8°	180.0°
N3	C15	H12	H14	120.0°	120.0°
N3	C15	H12	H13	120.0°	120.0°
N3	C15	H14	H13	120.0°	120.0°
C15	N3	C16	H15	0.3°	0.1°
N3	C16	C13	H15	180.0°	179.9°
C16	N3	C15	H12	179.7°	89.9°
C16	N3	C15	H14	60.3°	150.0°
C16	N3	C15	H13	59.7°	30.1°
C5	C17	N4	H16	180.0°	180.0°
C5	C17	N4	C2	0.9°	0.6°
C17	C5	C6	C11	65.7°	57.9°
C17	C5	C4	H5	178.7°	180.0°
C2	N4	C17	H16	179.1°	179.4°
N4	C2	C3	H4	180.0°	180.0°
C11	C6	C7	H6	178.6°	179.8°
C6	C11	C10	H9	179.1°	180.0°
C16	C13	N1	H10	171.8°	0.0°
C16	C13	C14	H11	180.0°	180.0°
H5	C4	C3	H4	0.6°	0.2°
H6	C7	C8	H7	0.6°	0.1°
H7	C8	C9	H8	0.2°	0.1°
H9	C10	C9	H8	0.0°	0.4°
H12	C15	H14	H13	120.0°	120.0°
H2	C1	H1	H3	120.0°	119.9°

Release date:	2025-02-26
Definition date:	2024-11-11
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HOX