A1BQD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	sing	1.43Å	1.43Å
O	C1	sing	1.43Å	1.41Å
C1	C2	sing	1.51Å	1.51Å
O1	C2	doub	1.21Å	1.23Å
C2	N	sing	1.35Å	1.36Å
N	C3	sing	1.40Å	1.44Å
C3	C4	doub	1.39Å	1.39Å	Aromatic
CL	C4	sing	1.74Å	1.73Å
C4	C5	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.51Å	1.51Å
C6	C8	sing	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.39Å	1.39Å	Aromatic
C3	C9	sing	1.39Å	1.40Å	Aromatic
C9	O2	sing	1.36Å	1.38Å
O2	C10	sing	1.36Å	1.39Å
C10	C11	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.40Å	1.39Å	Aromatic
C14	C15	sing	1.48Å	1.51Å
N1	C15	sing	1.35Å	1.32Å
C15	O3	doub	1.22Å	1.24Å
C16	C14	doub	1.39Å	1.39Å	Aromatic
C10	C16	sing	1.39Å	1.39Å	Aromatic
N1	H15	sing	0.97Å	1.00Å
N1	H14	sing	0.97Å	1.00Å
C5	H6	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H10	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
N	H5	sing	0.97Å	1.00Å
C1	H4	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	O	C1	111.8°	114.0°
O	C	H	109.5°	109.5°
O	C	H1	109.5°	109.5°
O	C	H2	109.5°	109.5°
O	C1	C2	111.3°	109.5°
O	C1	H4	109.0°	109.5°
O	C1	H3	109.0°	109.5°
C1	C2	O1	119.1°	120.0°
C1	C2	N	116.9°	120.0°
C2	C1	H4	109.0°	109.4°
C2	C1	H3	109.0°	109.5°
O1	C2	N	123.9°	120.0°
C2	N	C3	123.0°	120.0°
C2	N	H5	118.5°	120.0°
N	C3	C4	121.9°	120.1°
N	C3	C9	121.1°	120.1°
C3	N	H5	118.5°	120.0°
C3	C4	CL	119.8°	120.0°
C3	C4	C5	121.7°	120.0°
C4	C3	C9	117.0°	119.8°
CL	C4	C5	118.6°	120.1°
C4	C5	C6	121.1°	120.2°
C4	C5	H6	119.5°	119.9°
C5	C6	C7	120.6°	119.9°
C5	C6	C8	118.3°	120.2°
C6	C5	H6	119.5°	119.9°
C7	C6	C8	121.1°	119.9°
C6	C7	H8	109.5°	109.5°
C6	C7	H9	109.4°	109.5°
C6	C7	H7	109.5°	109.5°
C6	C8	C9	120.5°	120.0°
C6	C8	H10	119.8°	119.9°
C8	C9	C3	121.5°	119.9°
C8	C9	O2	122.9°	120.1°
C9	C8	H10	119.8°	120.0°
C3	C9	O2	115.7°	120.0°
C9	O2	C10	119.0°	118.0°
O2	C10	C11	121.4°	120.0°
O2	C10	C16	117.7°	120.0°
C10	C11	C12	119.1°	120.3°
C11	C10	C16	120.9°	120.0°
C10	C11	H11	120.4°	119.8°
C11	C12	C13	120.5°	120.2°
C11	C12	H12	119.7°	119.9°
C12	C11	H11	120.5°	119.9°
C12	C13	C14	120.4°	120.0°
C12	C13	H13	119.8°	120.0°
C13	C12	H12	119.7°	119.9°
C13	C14	C15	121.3°	120.1°
C13	C14	C16	119.3°	119.8°
C14	C13	H13	119.8°	120.0°
C14	C15	N1	117.8°	120.0°
C14	C15	O3	119.4°	119.9°
C15	C14	C16	119.3°	120.1°
N1	C15	O3	122.8°	120.0°
C15	N1	H15	120.0°	120.0°
C15	N1	H14	120.0°	120.0°
C14	C16	C10	119.7°	119.8°
C14	C16	H16	120.1°	120.1°
C10	C16	H16	120.1°	120.1°
H15	N1	H14	120.0°	120.0°
H8	C7	H9	109.5°	109.4°
H8	C7	H7	109.5°	109.5°
H9	C7	H7	109.5°	109.5°
H4	C1	H3	109.5°	109.5°
H	C	H1	109.5°	109.5°
H	C	H2	109.4°	109.4°
H1	C	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	O	C1	C2	157.5°	180.0°
C	O	C1	H4	82.3°	60.1°
C	O	C1	H3	37.2°	60.0°
O	C	H	H1	120.0°	120.1°
O	C	H	H2	120.0°	119.9°
O	C	H1	H2	120.0°	120.0°
O	C1	C2	H4	120.3°	120.0°
O	C1	C2	H3	120.3°	120.0°
O	C1	C2	O1	179.6°	0.0°
O	C1	C2	N	3.2°	180.0°
O	C1	H4	H3	119.2°	120.1°
C1	O	C	H	180.0°	60.1°
C1	O	C	H1	60.0°	60.0°
C1	O	C	H2	60.0°	180.0°
C1	C2	O1	N	176.1°	180.0°
C1	C2	N	C3	163.9°	176.7°
C1	C2	N	H5	16.1°	3.2°
C2	C1	H4	H3	119.2°	120.0°
O1	C2	N	C3	12.2°	3.4°
O1	C2	N	H5	167.8°	176.7°
O1	C2	C1	H4	59.3°	120.0°
O1	C2	C1	H3	60.2°	120.0°
C2	N	C3	H5	180.0°	179.9°
C2	N	C3	C4	126.0°	144.8°
C2	N	C3	C9	54.4°	35.8°
N	C2	C1	H4	117.1°	60.0°
N	C2	C1	H3	123.5°	59.9°
N	C3	C4	C9	179.7°	179.5°
N	C3	C4	CL	1.7°	0.3°
N	C3	C4	C5	178.6°	180.0°
N	C3	C9	C8	179.9°	180.0°
N	C3	C9	O2	1.0°	0.3°
C3	C4	CL	C5	179.6°	179.7°
C3	C4	C5	C6	1.7°	0.3°
C4	C3	C9	C8	0.4°	0.5°
C4	C3	C9	O2	178.6°	179.7°
C3	C4	C5	H6	178.3°	179.7°
C4	C3	N	H5	54.1°	35.3°
CL	C4	C5	C6	178.0°	180.0°
CL	C4	C3	C9	178.6°	179.7°
CL	C4	C5	H6	2.0°	0.0°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	C7	178.2°	180.0°
C4	C5	C6	C8	0.8°	0.0°
C5	C4	C3	C9	1.0°	0.5°
C5	C6	C7	C8	179.0°	180.0°
C5	C6	C8	C9	0.6°	0.0°
C5	C6	C7	H8	90.5°	90.0°
C5	C6	C7	H9	149.5°	150.0°
C5	C6	C7	H7	29.5°	30.1°
C5	C6	C8	H10	179.4°	180.0°
C7	C6	C8	C9	179.6°	180.0°
C7	C6	C5	H6	1.8°	0.1°
C6	C7	H8	H9	120.0°	120.0°
C6	C7	H8	H7	120.0°	120.0°
C6	C7	H9	H7	120.0°	120.0°
C7	C6	C8	H10	0.4°	0.1°
C6	C8	C9	H10	180.0°	180.0°
C6	C8	C9	C3	1.2°	0.3°
C6	C8	C9	O2	177.7°	180.0°
C8	C6	C5	H6	179.2°	180.0°
C8	C6	C7	H8	90.5°	90.0°
C8	C6	C7	H9	29.5°	30.0°
C8	C6	C7	H7	149.5°	150.0°
C8	C9	C3	O2	179.0°	179.7°
C8	C9	O2	C10	17.5°	6.4°
C3	C9	O2	C10	163.5°	173.9°
C3	C9	C8	H10	178.8°	179.7°
C9	C3	N	H5	125.6°	144.1°
C9	O2	C10	C11	71.7°	68.8°
C9	O2	C10	C16	109.1°	111.6°
O2	C9	C8	H10	2.3°	0.0°
O2	C10	C11	C16	179.2°	179.6°
O2	C10	C11	C12	179.1°	179.7°
O2	C10	C16	C14	179.8°	179.7°
O2	C10	C11	H11	1.0°	0.3°
O2	C10	C16	H16	0.1°	0.4°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	1.0°	0.0°
C11	C10	C16	C14	0.6°	0.1°
C10	C11	C12	H12	179.0°	180.0°
C11	C10	C16	H16	179.4°	180.0°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	0.8°	0.0°
C12	C11	C10	C16	1.8°	0.1°
C11	C12	C13	H13	179.1°	180.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	177.5°	180.0°
C12	C13	C14	C16	2.0°	0.1°
C13	C12	C11	H11	179.0°	180.0°
C13	C14	C15	C16	179.5°	179.9°
C13	C14	C15	N1	51.0°	0.0°
C13	C14	C15	O3	128.2°	180.0°
C13	C14	C16	C10	1.2°	0.1°
C14	C13	C12	H12	179.2°	180.0°
C13	C14	C16	H16	178.8°	180.0°
C14	C15	N1	O3	179.2°	180.0°
C15	C14	C16	C10	178.3°	180.0°
C14	C15	N1	H15	179.1°	179.9°
C14	C15	N1	H14	0.8°	0.3°
C15	C14	C13	H13	2.5°	0.1°
C15	C14	C16	H16	1.7°	0.1°
N1	C15	C14	C16	129.5°	179.9°
C15	N1	H15	H14	180.0°	179.7°
O3	C15	C14	C16	51.3°	0.1°
O3	C15	N1	H15	0.0°	0.0°
O3	C15	N1	H14	180.0°	179.7°
C14	C16	C10	H16	180.0°	179.9°
C16	C14	C13	H13	178.0°	179.9°
C16	C10	C11	H11	178.2°	179.9°
H8	C7	H9	H7	120.0°	120.0°
H13	C13	C12	H12	0.9°	0.0°
H12	C12	C11	H11	1.0°	0.0°
H	C	H1	H2	119.9°	119.9°

Release date:	2025-02-26
Definition date:	2025-01-13
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HVD