A1BKM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR16	C14	sing	1.89Å	1.91Å
C13	C14	sing	1.51Å	1.50Å
C13	C12	sing	1.53Å	1.52Å
C14	C15	doub	1.31Å	1.31Å
C12	C10	sing	1.51Å	1.51Å
C10	N9	sing	1.35Å	1.35Å
C10	O11	doub	1.21Å	1.23Å
C19	C18	sing	1.51Å	1.50Å
N9	C8	sing	1.39Å	1.39Å
C18	C17	sing	1.46Å	1.44Å	Aromatic
C18	C2	doub	1.34Å	1.38Å	Aromatic
C8	C17	doub	1.40Å	1.41Å	Aromatic
C8	N7	sing	1.33Å	1.35Å	Aromatic
C17	C4	sing	1.41Å	1.39Å	Aromatic
N7	C6	doub	1.32Å	1.34Å	Aromatic
C2	C1	sing	1.51Å	1.50Å
C2	N3	sing	1.37Å	1.38Å	Aromatic
C4	N3	sing	1.37Å	1.37Å	Aromatic
C4	N5	doub	1.33Å	1.34Å	Aromatic
C6	N5	sing	1.32Å	1.34Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C12	H12B	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C19	H19C	sing	1.09Å	1.10Å
C19	H19B	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C1	H1C	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C13	H13B	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C15	H15A	sing	1.08Å	1.08Å
C15	H15B	sing	1.08Å	1.08Å
N3	H3	sing	0.97Å	1.00Å
N9	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR16	C14	C13	112.8°	119.9°
BR16	C14	C15	118.7°	120.1°
C14	C13	C12	114.3°	109.5°
C13	C14	C15	128.5°	120.0°
C14	C13	H13B	108.3°	109.5°
C14	C13	H13A	108.3°	109.5°
C13	C12	C10	112.4°	109.5°
C13	C12	H12B	108.8°	109.5°
C13	C12	H12A	108.7°	109.5°
C12	C13	H13B	108.2°	109.5°
C12	C13	H13A	108.3°	109.4°
C14	C15	H15A	120.0°	120.0°
C14	C15	H15B	120.0°	120.0°
C12	C10	N9	114.5°	120.0°
C12	C10	O11	121.8°	120.0°
C10	C12	H12B	108.7°	109.5°
C10	C12	H12A	108.8°	109.5°
N9	C10	O11	123.7°	120.0°
C10	N9	C8	123.5°	120.0°
C10	N9	H9	118.3°	120.0°
C19	C18	C17	125.7°	126.6°
C19	C18	C2	127.7°	126.6°
C18	C19	H19C	109.5°	109.5°
C18	C19	H19B	109.5°	109.5°
C18	C19	H19A	109.4°	109.4°
N9	C8	C17	121.6°	120.8°
N9	C8	N7	118.6°	120.8°
C8	N9	H9	118.3°	120.0°
C17	C18	C2	106.5°	106.8°
C18	C17	C8	137.5°	135.1°
C18	C17	C4	106.6°	106.2°
C18	C2	C1	130.2°	125.1°
C18	C2	N3	109.6°	109.9°
C17	C8	N7	119.7°	118.4°
C8	C17	C4	115.9°	118.7°
C8	N7	C6	117.5°	121.0°
C17	C4	N3	109.0°	107.2°
C17	C4	N5	125.8°	118.6°
N7	C6	N5	128.8°	122.7°
N7	C6	H6	115.6°	118.6°
C1	C2	N3	120.2°	125.0°
C2	C1	H1B	109.5°	109.5°
C2	C1	H1C	109.5°	109.5°
C2	C1	H1A	109.5°	109.5°
C2	N3	C4	108.3°	110.0°
C2	N3	H3	125.9°	125.0°
N3	C4	N5	125.2°	134.3°
C4	N3	H3	125.8°	125.0°
C4	N5	C6	112.3°	120.6°
N5	C6	H6	115.6°	118.7°
H12B	C12	H12A	109.5°	109.5°
H19C	C19	H19B	109.4°	109.5°
H19C	C19	H19A	109.5°	109.5°
H19B	C19	H19A	109.5°	109.5°
H1B	C1	H1C	109.5°	109.4°
H1B	C1	H1A	109.5°	109.5°
H1C	C1	H1A	109.5°	109.4°
H13B	C13	H13A	109.4°	109.5°
H15A	C15	H15B	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR16	C14	C13	C15	179.0°	180.0°
BR16	C14	C13	C12	157.3°	85.0°
BR16	C14	C13	H13B	82.0°	155.0°
BR16	C14	C13	H13A	36.5°	35.0°
BR16	C14	C15	H15A	178.9°	180.0°
BR16	C14	C15	H15B	1.1°	0.0°
C14	C13	C12	H13B	120.7°	120.0°
C14	C13	C12	H13A	120.7°	120.1°
C14	C13	C12	C10	69.6°	180.0°
C14	C13	C12	H12B	170.0°	60.0°
C14	C13	C12	H12A	50.9°	60.0°
C14	C13	H13B	H13A	117.8°	120.0°
C13	C14	C15	H15A	0.0°	0.1°
C13	C14	C15	H15B	180.0°	180.0°
C12	C13	C14	C15	21.7°	95.0°
C13	C12	C10	H12B	120.4°	120.0°
C13	C12	C10	H12A	120.4°	120.0°
C13	C12	C10	N9	138.1°	180.0°
C13	C12	C10	O11	42.3°	0.0°
C13	C12	H12B	H12A	118.7°	120.0°
C12	C13	H13B	H13A	117.8°	119.9°
C15	C14	C13	H13B	99.0°	25.0°
C15	C14	C13	H13A	142.4°	145.0°
C14	C15	H15A	H15B	180.0°	179.9°
C12	C10	N9	O11	179.6°	180.0°
C12	C10	N9	C8	178.1°	180.0°
C10	C12	H12B	H12A	118.7°	120.0°
C10	C12	C13	H13B	51.2°	60.0°
C10	C12	C13	H13A	169.7°	60.0°
C12	C10	N9	H9	1.9°	0.1°
C10	N9	C8	H9	180.0°	180.0°
C10	N9	C8	C17	120.8°	180.0°
C10	N9	C8	N7	54.6°	0.9°
N9	C10	C12	H12B	101.5°	60.0°
N9	C10	C12	H12A	17.6°	60.0°
O11	C10	N9	C8	2.2°	0.0°
O11	C10	C12	H12B	78.2°	120.0°
O11	C10	C12	H12A	162.7°	120.0°
O11	C10	N9	H9	177.8°	179.9°
C19	C18	C17	C2	177.5°	180.0°
C19	C18	C17	C8	3.4°	0.0°
C19	C18	C17	C4	177.3°	179.9°
C19	C18	C2	C1	3.4°	0.0°
C19	C18	C2	N3	177.3°	180.0°
C18	C19	H19C	H19B	120.0°	120.0°
C18	C19	H19C	H19A	120.0°	120.0°
C18	C19	H19B	H19A	120.0°	120.0°
N9	C8	C17	C18	4.9°	0.0°
N9	C8	C17	N7	175.4°	179.1°
N9	C8	C17	C4	174.4°	179.9°
N9	C8	N7	C6	174.7°	179.8°
C18	C17	C8	C4	179.3°	180.0°
C18	C17	C8	N7	179.7°	179.1°
C17	C18	C2	C1	179.2°	180.0°
C17	C18	C2	N3	0.1°	0.0°
C18	C17	C4	N3	0.2°	0.0°
C18	C17	C4	N5	179.5°	179.5°
C17	C18	C19	H19C	91.5°	90.0°
C17	C18	C19	H19B	148.5°	150.0°
C17	C18	C19	H19A	28.5°	30.0°
C2	C18	C17	C8	179.2°	180.0°
C2	C18	C17	C4	0.2°	0.0°
C18	C2	C1	N3	179.2°	180.0°
C18	C2	N3	C4	0.0°	0.0°
C2	C18	C19	H19C	91.6°	90.0°
C2	C18	C19	H19B	28.4°	30.1°
C2	C18	C19	H19A	148.4°	150.1°
C18	C2	C1	H1B	89.5°	90.0°
C18	C2	C1	H1C	150.5°	150.0°
C18	C2	C1	H1A	30.5°	30.0°
C18	C2	N3	H3	180.0°	180.0°
C17	C8	N7	C6	0.8°	0.6°
C8	C17	C4	N3	179.3°	180.0°
C8	C17	C4	N5	1.0°	0.5°
C17	C8	N9	H9	59.2°	0.0°
N7	C8	C17	C4	1.0°	0.8°
C8	N7	C6	N5	0.5°	0.1°
C8	N7	C6	H6	179.5°	179.7°
N7	C8	N9	H9	125.3°	179.1°
C17	C4	N3	C2	0.1°	0.0°
C17	C4	N3	N5	179.7°	179.4°
C17	C4	N5	C6	0.6°	0.0°
C17	C4	N3	H3	179.9°	180.0°
N7	C6	N5	C4	0.4°	0.2°
N7	C6	N5	H6	180.0°	179.8°
C1	C2	N3	C4	179.4°	180.0°
C2	C1	H1B	H1C	120.0°	120.0°
C2	C1	H1B	H1A	120.0°	120.1°
C2	C1	H1C	H1A	120.0°	120.0°
C1	C2	N3	H3	0.6°	0.0°
C2	N3	C4	H3	180.0°	179.9°
C2	N3	C4	N5	179.6°	179.3°
N3	C2	C1	H1B	89.7°	90.0°
N3	C2	C1	H1C	30.3°	30.0°
N3	C2	C1	H1A	150.3°	150.0°
N3	C4	N5	C6	179.7°	179.3°
C4	N5	C6	H6	179.7°	180.0°
N5	C4	N3	H3	0.4°	0.6°
H12B	C12	C13	H13B	69.3°	NaN°
H12B	C12	C13	H13A	49.3°	60.0°
H12A	C12	C13	H13B	171.6°	60.0°
H12A	C12	C13	H13A	69.8°	180.0°
H19C	C19	H19B	H19A	120.0°	120.0°
H1B	C1	H1C	H1A	120.0°	120.0°

Release date:	2025-08-20
Definition date:	2024-12-09
Last modified:	2025-08-15
Release status:	REL
Processing site:	RCSB
Derived from:	7HQ1