A1BQ7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.33Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.48Å
N1	C5	sing	1.35Å	1.34Å
C5	O1	doub	1.22Å	1.21Å
C6	C5	sing	1.48Å	1.50Å
C6	C7	doub	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C8	N2	doub	1.31Å	1.34Å	Aromatic
N2	C9	sing	1.33Å	1.33Å	Aromatic
C9	N3	sing	1.37Å	1.35Å	Aromatic
N3	N4	sing	1.40Å	1.37Å	Aromatic
N4	C10	doub	1.30Å	1.32Å	Aromatic
C10	C11	sing	1.41Å	1.42Å	Aromatic
C11	C6	sing	1.41Å	1.41Å	Aromatic
C9	C11	doub	1.41Å	1.40Å	Aromatic
C12	N1	sing	1.47Å	1.47Å
C1	C12	sing	1.53Å	1.53Å
N3	H1	sing	0.97Å	1.00Å
C4	H9	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
N	H2	sing	0.97Å	1.00Å
N	H3	sing	0.97Å	1.00Å
C1	H	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	122.7°	120.0°
N	C	C1	116.1°	120.0°
C	N	H2	120.0°	120.0°
C	N	H3	120.0°	119.9°
O	C	C1	121.2°	120.0°
C	C1	C2	112.6°	109.5°
C	C1	C12	114.5°	109.7°
C	C1	H	108.0°	109.5°
C1	C2	C3	109.5°	109.7°
C2	C1	C12	105.8°	109.2°
C2	C1	H	107.7°	109.5°
C1	C2	H5	109.4°	109.5°
C1	C2	H4	109.4°	109.4°
C2	C3	C4	111.4°	109.3°
C3	C2	H5	109.5°	109.4°
C3	C2	H4	109.5°	109.4°
C2	C3	H7	109.0°	109.5°
C2	C3	H6	109.0°	109.5°
C3	C4	N1	112.2°	108.8°
C3	C4	H9	108.8°	109.6°
C3	C4	H8	108.8°	109.7°
C4	C3	H7	109.0°	109.7°
C4	C3	H6	109.0°	109.3°
C4	N1	C5	124.9°	120.6°
C4	N1	C12	112.0°	118.7°
N1	C4	H9	108.8°	109.6°
N1	C4	H8	108.8°	109.6°
N1	C5	O1	122.3°	120.0°
N1	C5	C6	119.0°	120.0°
C5	N1	C12	123.1°	120.7°
O1	C5	C6	118.6°	120.1°
C5	C6	C7	118.3°	121.1°
C5	C6	C11	123.3°	121.1°
C6	C7	C8	119.2°	119.3°
C7	C6	C11	118.1°	117.8°
C6	C7	H10	120.4°	120.3°
C7	C8	N2	124.4°	121.7°
C8	C7	H10	120.4°	120.4°
C7	C8	H11	117.8°	119.1°
C8	N2	C9	115.3°	122.0°
N2	C8	H11	117.8°	119.2°
N2	C9	N3	125.8°	133.4°
N2	C9	C11	126.1°	120.2°
C9	N3	N4	110.7°	108.2°
N3	C9	C11	108.0°	106.4°
C9	N3	H1	124.6°	125.9°
N3	N4	C10	106.3°	109.7°
N4	N3	H1	124.7°	125.9°
N4	C10	C11	111.7°	108.6°
N4	C10	H12	124.2°	125.8°
C10	C11	C6	139.9°	133.9°
C10	C11	C9	103.3°	107.1°
C11	C10	H12	124.2°	125.7°
C6	C11	C9	116.6°	119.0°
N1	C12	C1	109.1°	108.8°
N1	C12	H14	109.6°	109.5°
N1	C12	H13	109.6°	109.6°
C12	C1	H	107.8°	109.4°
C1	C12	H14	109.6°	109.6°
C1	C12	H13	109.6°	109.6°
H9	C4	H8	109.5°	109.6°
H2	N	H3	120.0°	120.1°
H14	C12	H13	109.5°	109.7°
H5	C2	H4	109.5°	109.4°
H7	C3	H6	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.6°	180.0°
N	C	C1	C2	100.2°	180.0°
N	C	C1	C12	138.7°	60.1°
C	N	H2	H3	180.0°	180.0°
N	C	C1	H	18.6°	60.0°
O	C	C1	C2	80.2°	0.0°
O	C	C1	C12	40.9°	119.9°
O	C	N	H2	0.0°	180.0°
O	C	N	H3	180.0°	0.0°
O	C	C1	H	161.0°	120.0°
C	C1	C2	C12	125.9°	120.2°
C	C1	C2	H	119.0°	120.0°
C	C1	C2	C3	172.1°	178.7°
C	C1	C12	N1	169.3°	174.6°
C	C1	C12	H	120.2°	120.2°
C1	C	N	H2	179.6°	0.0°
C1	C	N	H3	0.4°	180.0°
C	C1	C12	H14	49.3°	65.7°
C	C1	C12	H13	70.8°	54.7°
C	C1	C2	H5	52.0°	58.6°
C	C1	C2	H4	67.9°	61.3°
C1	C2	C3	H5	120.0°	120.1°
C1	C2	C3	H4	120.0°	120.0°
C1	C2	C3	C4	54.6°	61.1°
C2	C1	C12	N1	66.0°	54.6°
C2	C1	C12	H	115.1°	119.8°
C2	C1	C12	H14	174.0°	174.3°
C2	C1	C12	H13	53.9°	65.3°
C1	C2	H5	H4	120.0°	119.9°
C1	C2	C3	H7	65.7°	178.7°
C1	C2	C3	H6	174.9°	58.6°
C2	C3	C4	H7	120.3°	120.1°
C2	C3	C4	H6	120.3°	119.8°
C2	C3	C4	N1	49.2°	54.7°
C3	C2	C1	C12	62.1°	61.1°
C2	C3	C4	H9	169.6°	65.2°
C2	C3	C4	H8	71.2°	174.5°
C3	C2	C1	H	53.1°	58.7°
C3	C2	H5	H4	120.0°	119.8°
C2	C3	H7	H6	119.1°	120.1°
C3	C4	N1	H9	120.4°	119.8°
C3	C4	N1	H8	120.4°	119.9°
C3	C4	N1	C5	128.3°	126.4°
C3	C4	N1	C12	53.4°	53.9°
C3	C4	H9	H8	118.7°	120.4°
C4	C3	C2	H5	174.6°	178.8°
C4	C3	C2	H4	65.4°	58.9°
C4	C3	H7	H6	119.1°	120.0°
C4	N1	C5	C12	178.1°	179.7°
C4	N1	C5	O1	171.8°	176.1°
C4	N1	C5	C6	5.8°	3.9°
C4	N1	C12	C1	62.7°	53.9°
N1	C4	H9	H8	118.7°	120.3°
C4	N1	C12	H14	177.4°	173.7°
C4	N1	C12	H13	57.3°	66.0°
N1	C4	C3	H7	71.1°	174.7°
N1	C4	C3	H6	169.5°	65.1°
N1	C5	O1	C6	177.6°	180.0°
N1	C5	C6	C7	66.9°	52.9°
N1	C5	C6	C11	119.6°	127.6°
C5	N1	C12	C1	119.0°	126.4°
C5	N1	C4	H9	7.9°	113.8°
C5	N1	C4	H8	111.3°	6.5°
C5	N1	C12	H14	1.0°	6.6°
C5	N1	C12	H13	121.1°	113.8°
O1	C5	C6	C7	115.4°	127.1°
O1	C5	C6	C11	58.1°	52.4°
O1	C5	N1	C12	6.3°	3.7°
C5	C6	C7	C11	173.8°	179.5°
C5	C6	C7	C8	170.6°	180.0°
C5	C6	C11	C10	14.1°	0.0°
C5	C6	C11	C9	170.4°	180.0°
C6	C5	N1	C12	176.1°	176.4°
C5	C6	C7	H10	9.4°	0.1°
C6	C7	C8	H10	180.0°	180.0°
C6	C7	C8	N2	0.1°	0.2°
C7	C6	C11	C10	172.3°	179.5°
C7	C6	C11	C9	3.1°	0.5°
C6	C7	C8	H11	179.9°	179.8°
C7	C8	N2	H11	180.0°	180.0°
C7	C8	N2	C9	3.2°	0.0°
C8	C7	C6	C11	3.3°	0.5°
C8	N2	C9	N3	172.8°	179.9°
C8	N2	C9	C11	3.4°	0.0°
N2	C8	C7	H10	179.9°	179.8°
N2	C9	N3	C11	176.7°	179.9°
N2	C9	N3	N4	176.8°	180.0°
N2	C9	C11	C10	177.3°	179.8°
N2	C9	C11	C6	0.3°	0.2°
N2	C9	N3	H1	3.1°	0.3°
C9	N2	C8	H11	176.8°	180.0°
C9	N3	N4	H1	180.0°	179.8°
C9	N3	N4	C10	0.4°	0.2°
N3	C9	C11	C10	0.6°	0.2°
N3	C9	C11	C6	176.4°	179.8°
N3	N4	C10	C11	0.8°	0.3°
N4	N3	C9	C11	0.1°	0.0°
N3	N4	C10	H12	179.2°	179.9°
N4	C10	C11	H12	180.0°	179.7°
N4	C10	C11	C6	174.9°	179.6°
N4	C10	C11	C9	0.9°	0.3°
C10	N4	N3	H1	179.6°	180.0°
C10	C11	C6	C9	175.4°	180.0°
C11	C6	C7	H10	176.7°	179.6°
C6	C11	C10	H12	5.0°	0.1°
C11	C9	N3	H1	179.9°	179.8°
C9	C11	C10	H12	179.2°	179.9°
N1	C12	C1	H14	120.0°	119.7°
N1	C12	C1	H13	120.0°	119.8°
C12	N1	C4	H9	173.8°	65.9°
C12	N1	C4	H8	67.0°	173.8°
N1	C12	C1	H	49.0°	65.2°
N1	C12	H14	H13	120.2°	120.3°
C1	C12	H14	H13	120.1°	120.4°
C12	C1	C2	H5	177.9°	178.8°
C12	C1	C2	H4	58.0°	58.9°
H9	C4	C3	H7	49.3°	54.9°
H9	C4	C3	H6	70.1°	175.1°
H8	C4	C3	H7	168.5°	65.5°
H8	C4	C3	H6	49.1°	54.7°
H10	C7	C8	H11	0.0°	0.2°
H	C1	C12	H14	70.9°	54.5°
H	C1	C12	H13	169.0°	174.9°
H	C1	C2	H5	66.9°	61.4°
H	C1	C2	H4	173.1°	178.7°
H5	C2	C3	H7	54.3°	58.6°
H5	C2	C3	H6	65.1°	61.5°
H4	C2	C3	H7	174.3°	61.3°
H4	C2	C3	H6	54.9°	178.6°

Release date:	2025-02-12
Definition date:	2025-01-14
Last modified:	2025-02-07
Release status:	REL
Processing site:	RCSB
Derived from:	7HZS