A1AK9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	N17	sing	1.48Å	1.49Å
C16	C15	sing	1.55Å	1.51Å
N17	C18	sing	1.47Å	1.50Å
C18	C14	sing	1.54Å	1.51Å
C15	C14	sing	1.55Å	1.55Å
C14	C11	sing	1.51Å	1.49Å
N12	C11	doub	1.30Å	1.32Å	Aromatic
N12	O13	sing	1.21Å	1.42Å	Aromatic
C11	N10	sing	1.34Å	1.37Å	Aromatic
O13	C9	sing	1.34Å	1.35Å	Aromatic
N10	C9	doub	1.32Å	1.30Å	Aromatic
C9	C6	sing	1.48Å	1.47Å
C6	C7	doub	1.40Å	1.39Å	Aromatic
C6	C5	sing	1.40Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C8	C3	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C3	O2	sing	1.36Å	1.37Å
O2	C1	sing	1.43Å	1.43Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
N17	H13	sing	1.01Å	1.00Å
C18	H15	sing	1.09Å	1.10Å
C18	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N17	C16	C15	104.3°	104.8°
C16	N17	C18	108.5°	108.6°
N17	C16	H11	110.8°	110.3°
N17	C16	H12	110.8°	110.4°
C16	N17	H13	109.7°	111.1°
C16	C15	C14	108.0°	101.6°
C16	C15	H5	109.9°	110.9°
C16	C15	H6	109.8°	111.0°
C15	C16	H11	110.8°	110.3°
C15	C16	H12	110.8°	110.4°
N17	C18	C14	103.4°	107.2°
C18	N17	H13	109.7°	111.0°
N17	C18	H15	111.0°	109.9°
N17	C18	H16	111.0°	109.9°
C18	C14	C15	102.9°	103.1°
C18	C14	C11	115.3°	110.7°
C18	C14	H10	107.5°	110.9°
C14	C18	H15	111.0°	109.9°
C14	C18	H16	111.0°	109.9°
C15	C14	C11	115.5°	110.7°
C14	C15	H5	109.8°	111.0°
C14	C15	H6	109.8°	111.0°
C15	C14	H10	107.1°	110.7°
C14	C11	N12	122.4°	126.2°
C14	C11	N10	122.7°	126.2°
C11	C14	H10	107.8°	110.6°
C11	N12	O13	102.8°	110.5°
N12	C11	N10	114.9°	107.7°
N12	O13	C9	106.0°	109.7°
C11	N10	C9	102.7°	105.5°
O13	C9	N10	113.6°	106.7°
O13	C9	C6	118.1°	126.7°
N10	C9	C6	128.2°	126.6°
C9	C6	C7	120.7°	120.0°
C9	C6	C5	120.6°	120.1°
C7	C6	C5	118.7°	119.8°
C6	C7	C8	120.8°	119.9°
C6	C7	H3	119.6°	120.0°
C6	C5	C4	120.8°	119.9°
C6	C5	H2	119.6°	120.0°
C7	C8	C3	119.8°	120.1°
C8	C7	H3	119.6°	120.1°
C7	C8	H4	120.1°	119.9°
C5	C4	C3	119.8°	120.1°
C5	C4	H1	120.1°	120.0°
C4	C5	H2	119.6°	120.1°
C8	C3	C4	120.1°	120.2°
C8	C3	O2	127.7°	120.0°
C3	C8	H4	120.1°	119.9°
C4	C3	O2	112.2°	119.9°
C3	C4	H1	120.1°	120.0°
C3	O2	C1	118.4°	117.0°
O2	C1	H7	109.5°	109.4°
O2	C1	H8	109.5°	109.5°
O2	C1	H9	109.4°	109.5°
H5	C15	H6	109.5°	110.9°
H7	C1	H8	109.5°	109.4°
H7	C1	H9	109.5°	109.5°
H8	C1	H9	109.5°	109.5°
H11	C16	H12	109.4°	110.4°
H15	C18	H16	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N17	C16	C15	H11	119.2°	118.8°
N17	C16	C15	H12	119.2°	118.8°
C16	N17	C18	H13	119.9°	122.4°
C16	N17	C18	C14	35.0°	1.0°
N17	C16	C15	C14	2.4°	37.0°
N17	C16	C15	H5	122.2°	155.1°
N17	C16	C15	H6	117.4°	81.1°
N17	C16	H11	H12	122.4°	122.3°
C16	N17	C18	H15	84.1°	120.4°
C16	N17	C18	H16	154.0°	118.5°
C15	C16	N17	C18	20.0°	24.1°
C16	C15	C14	C18	23.2°	35.6°
C16	C15	C14	H5	119.8°	118.1°
C16	C15	C14	H6	119.8°	118.1°
C16	C15	C14	C11	103.4°	154.1°
C16	C15	H5	H6	120.7°	123.8°
C16	C15	C14	H10	136.4°	83.0°
C15	C16	H11	H12	122.4°	122.4°
C15	C16	N17	H13	139.9°	146.4°
N17	C18	C14	H15	119.0°	119.4°
N17	C18	C14	H16	119.0°	119.4°
N17	C18	C14	C15	34.4°	22.3°
N17	C18	C14	C11	92.3°	140.7°
N17	C18	C14	H10	147.4°	96.2°
C18	N17	C16	H11	139.2°	94.7°
C18	N17	C16	H12	99.2°	142.9°
N17	C18	H15	H16	122.8°	121.1°
C18	C14	C15	C11	126.6°	118.4°
C18	C14	C15	H10	113.2°	118.6°
C18	C14	C11	H10	120.2°	123.3°
C18	C14	C11	N12	62.3°	53.6°
C18	C14	C11	N10	117.8°	126.4°
C18	C14	C15	H5	142.9°	153.7°
C18	C14	C15	H6	96.6°	82.5°
C14	C18	N17	H13	154.8°	123.3°
C14	C18	H15	H16	122.8°	121.1°
C15	C14	C11	H10	119.8°	123.0°
C15	C14	C11	N12	57.7°	60.0°
C15	C14	C11	N10	122.2°	120.0°
C14	C15	H5	H6	120.6°	123.9°
C14	C15	C16	H11	116.8°	81.8°
C14	C15	C16	H12	121.6°	155.9°
C15	C14	C18	H15	84.6°	97.1°
C15	C14	C18	H16	153.5°	141.7°
C14	C11	N12	N10	179.9°	180.0°
C14	C11	N12	O13	179.9°	180.0°
C14	C11	N10	C9	180.0°	180.0°
C11	C14	C15	H5	16.4°	87.9°
C11	C14	C15	H6	136.8°	36.0°
C11	C14	C18	H15	148.7°	21.3°
C11	C14	C18	H16	26.8°	99.9°
C11	N12	O13	C9	0.1°	0.0°
N12	C11	N10	C9	0.1°	0.0°
N12	C11	C14	H10	177.5°	176.9°
O13	N12	C11	N10	0.0°	0.0°
N12	O13	C9	N10	0.2°	0.0°
N12	O13	C9	C6	176.2°	180.0°
C11	N10	C9	O13	0.2°	0.0°
C11	N10	C9	C6	175.8°	180.0°
N10	C11	C14	H10	2.4°	3.1°
O13	C9	N10	C6	175.9°	179.9°
O13	C9	C6	C7	15.4°	0.1°
O13	C9	C6	C5	163.8°	180.0°
N10	C9	C6	C7	168.8°	180.0°
N10	C9	C6	C5	12.0°	0.1°
C9	C6	C7	C5	179.2°	179.9°
C9	C6	C7	C8	179.2°	180.0°
C9	C6	C5	C4	179.2°	180.0°
C9	C6	C5	H2	0.8°	0.1°
C9	C6	C7	H3	0.8°	0.1°
C6	C7	C8	H3	180.0°	179.9°
C7	C6	C5	C4	0.1°	0.1°
C6	C7	C8	C3	0.0°	0.1°
C7	C6	C5	H2	179.9°	180.0°
C6	C7	C8	H4	180.0°	180.0°
C5	C6	C7	C8	0.0°	0.1°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	C3	0.1°	0.0°
C6	C5	C4	H1	179.9°	179.8°
C5	C6	C7	H3	180.0°	180.0°
C7	C8	C3	H4	180.0°	179.9°
C7	C8	C3	C4	0.0°	0.0°
C7	C8	C3	O2	178.5°	179.7°
C5	C4	C3	C8	0.1°	0.0°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	O2	178.6°	179.7°
C8	C3	C4	O2	178.7°	179.7°
C8	C3	O2	C1	3.1°	0.3°
C8	C3	C4	H1	179.9°	179.7°
C3	C8	C7	H3	180.0°	180.0°
C4	C3	O2	C1	178.3°	180.0°
C3	C4	C5	H2	179.9°	179.9°
C4	C3	C8	H4	180.0°	179.9°
O2	C3	C4	H1	1.4°	0.0°
O2	C3	C8	H4	1.5°	0.2°
C3	O2	C1	H7	180.0°	60.1°
C3	O2	C1	H8	60.0°	180.0°
C3	O2	C1	H9	60.0°	60.0°
O2	C1	H7	H8	120.0°	119.9°
O2	C1	H7	H9	120.0°	120.1°
O2	C1	H8	H9	120.0°	120.1°
H1	C4	C5	H2	0.1°	0.3°
H3	C7	C8	H4	0.0°	0.1°
H5	C15	C14	H10	103.8°	35.1°
H5	C15	C16	H11	3.0°	36.4°
H5	C15	C16	H12	118.7°	86.0°
H6	C15	C14	H10	16.6°	159.0°
H6	C15	C16	H11	123.4°	160.1°
H6	C15	C16	H12	1.8°	37.7°
H7	C1	H8	H9	120.0°	120.0°
H10	C14	C18	H15	28.4°	144.4°
H10	C14	C18	H16	93.6°	23.2°
H11	C16	N17	H13	100.9°	27.6°
H12	C16	N17	H13	20.7°	94.7°
H13	N17	C18	H15	35.8°	117.3°
H13	N17	C18	H16	86.1°	3.9°

Release date:	2024-06-12
Definition date:	2024-04-08
Last modified:	2024-06-07
Release status:	REL
Processing site:	RCSB
Derived from:	9BBE