A1I7E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C18	doub	1.21Å	1.23Å
C18	C23	sing	1.51Å	1.51Å
C18	N2	sing	1.35Å	1.36Å
C23	C22	sing	1.53Å	1.52Å
N2	C19	sing	1.46Å	1.47Å
N2	C17	sing	1.41Å	1.39Å
C22	C21	sing	1.50Å	1.51Å
C19	C20	sing	1.54Å	1.55Å
C17	C21	doub	1.40Å	1.40Å	Aromatic
C17	C16	sing	1.37Å	1.39Å	Aromatic
C21	C24	sing	1.37Å	1.39Å	Aromatic
C20	C16	sing	1.51Å	1.51Å
C16	C15	doub	1.38Å	1.38Å	Aromatic
C24	C14	doub	1.39Å	1.39Å	Aromatic
O1	C1	doub	1.21Å	1.21Å
C15	C14	sing	1.39Å	1.39Å	Aromatic
C14	C13	sing	1.51Å	1.51Å
C1	C13	sing	1.51Å	1.51Å
C1	C2	sing	1.47Å	1.50Å
C2	C12	doub	1.40Å	1.40Å	Aromatic
C2	C3	sing	1.40Å	1.40Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C3	C4	doub	1.36Å	1.41Å	Aromatic
C11	C10	sing	1.51Å	1.51Å
C11	C8	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.54Å	1.55Å
C4	C8	sing	1.40Å	1.40Å	Aromatic
C4	C5	sing	1.51Å	1.50Å
C8	N1	sing	1.40Å	1.42Å
C9	N1	sing	1.46Å	1.47Å
N1	C7	sing	1.35Å	1.37Å
C5	C6	sing	1.53Å	1.51Å
C6	C7	sing	1.51Å	1.51Å
C7	O2	doub	1.21Å	1.23Å
C3	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.08Å	1.08Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.09Å	1.10Å
C20	H15	sing	1.09Å	1.10Å
C22	H16	sing	1.09Å	1.10Å
C22	H17	sing	1.09Å	1.10Å
C23	H18	sing	1.09Å	1.10Å
C23	H19	sing	1.09Å	1.10Å
C24	H20	sing	1.08Å	1.08Å
C19	H21	sing	1.09Å	1.10Å
C20	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C18	C23	122.0°	120.8°
O3	C18	N2	122.2°	120.8°
C23	C18	N2	115.6°	118.4°
C18	C23	C22	116.3°	112.8°
C18	C23	H18	107.8°	108.8°
C18	C23	H19	107.7°	108.8°
C18	N2	C19	126.9°	131.8°
C18	N2	C17	122.0°	119.3°
C23	C22	C21	114.1°	111.1°
C23	C22	H16	108.3°	109.2°
C23	C22	H17	108.3°	109.1°
C22	C23	H18	107.7°	109.0°
C22	C23	H19	107.8°	108.6°
C19	N2	C17	110.9°	109.0°
N2	C19	C20	103.3°	105.4°
N2	C19	H14	111.0°	110.0°
N2	C19	H21	111.0°	110.5°
N2	C17	C21	127.1°	125.2°
N2	C17	C16	111.7°	112.9°
C22	C21	C17	113.4°	116.7°
C22	C21	C24	128.4°	124.2°
C21	C22	H16	108.3°	109.2°
C21	C22	H17	108.3°	109.1°
C19	C20	C16	105.5°	104.8°
C20	C19	H14	111.0°	110.3°
C19	C20	H15	110.4°	110.4°
C20	C19	H21	111.0°	110.3°
C19	C20	H22	110.5°	110.4°
C21	C17	C16	121.2°	121.9°
C17	C21	C24	118.2°	119.0°
C17	C16	C20	107.7°	107.6°
C17	C16	C15	119.4°	118.8°
C21	C24	C14	121.3°	119.4°
C21	C24	H20	119.3°	120.3°
C20	C16	C15	132.9°	133.6°
C16	C20	H15	110.5°	110.6°
C16	C20	H22	110.5°	110.2°
C16	C15	C14	120.8°	119.8°
C16	C15	H13	119.6°	120.2°
C24	C14	C15	119.0°	121.1°
C24	C14	C13	122.2°	119.5°
C14	C24	H20	119.3°	120.2°
O1	C1	C13	119.2°	120.0°
O1	C1	C2	120.2°	120.0°
C15	C14	C13	118.6°	119.4°
C14	C15	H13	119.6°	120.1°
C14	C13	C1	121.6°	109.5°
C14	C13	H11	106.3°	109.5°
C14	C13	H12	106.4°	109.5°
C13	C1	C2	120.2°	120.0°
C1	C13	H11	106.4°	109.4°
C1	C13	H12	106.4°	109.4°
C1	C2	C12	118.3°	119.7°
C1	C2	C3	122.4°	119.7°
C12	C2	C3	119.3°	120.6°
C2	C12	C11	120.4°	119.5°
C2	C12	H10	119.8°	120.2°
C2	C3	C4	120.9°	119.5°
C2	C3	H1	119.6°	120.2°
C12	C11	C10	132.7°	133.5°
C12	C11	C8	119.7°	118.9°
C11	C12	H10	119.8°	120.3°
C3	C4	C8	118.1°	119.3°
C3	C4	C5	128.4°	124.0°
C4	C3	H1	119.5°	120.3°
C10	C11	C8	107.6°	107.6°
C11	C10	C9	105.4°	104.7°
C11	C10	H8	110.5°	110.4°
C11	C10	H9	110.5°	110.4°
C11	C8	C4	121.5°	122.1°
C11	C8	N1	112.0°	112.9°
C10	C9	N1	104.1°	105.3°
C10	C9	H6	110.8°	110.3°
C10	C9	H7	110.8°	110.4°
C9	C10	H8	110.5°	110.4°
C9	C10	H9	110.5°	110.4°
C8	C4	C5	113.5°	116.7°
C4	C8	N1	126.4°	125.0°
C4	C5	C6	112.3°	111.0°
C4	C5	H2	108.7°	109.1°
C4	C5	H3	108.8°	109.2°
C8	N1	C9	109.0°	109.2°
C8	N1	C7	119.4°	119.6°
C9	N1	C7	125.5°	131.1°
N1	C9	H6	110.8°	110.3°
N1	C9	H7	110.8°	110.2°
N1	C7	C6	116.3°	118.5°
N1	C7	O2	121.5°	120.8°
C5	C6	C7	114.9°	112.8°
C6	C5	H2	108.8°	109.2°
C6	C5	H3	108.8°	109.1°
C5	C6	H4	108.1°	108.8°
C5	C6	H5	108.1°	108.8°
C6	C7	O2	122.1°	120.8°
C7	C6	H4	108.1°	108.8°
C7	C6	H5	108.1°	108.8°
H2	C5	H3	109.5°	109.1°
H4	C6	H5	109.5°	108.7°
H6	C9	H7	109.5°	110.2°
H8	C10	H9	109.5°	110.3°
H11	C13	H12	109.5°	109.4°
H14	C19	H21	109.4°	110.3°
H15	C20	H22	109.5°	110.4°
H16	C22	H17	109.5°	109.1°
H18	C23	H19	109.5°	108.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C18	C23	N2	176.1°	179.7°
O3	C18	C23	C22	154.3°	140.1°
O3	C18	N2	C19	5.9°	13.3°
O3	C18	N2	C17	179.0°	165.7°
O3	C18	C23	H18	33.3°	98.8°
O3	C18	C23	H19	84.7°	19.5°
C18	C23	C22	H18	121.0°	121.0°
C18	C23	C22	H19	121.0°	120.7°
C23	C18	N2	C19	170.3°	166.5°
C23	C18	N2	C17	4.8°	14.6°
C18	C23	C22	C21	40.4°	46.3°
C18	C23	C22	H16	80.3°	74.2°
C18	C23	C22	H17	161.1°	166.6°
C18	C23	H18	H19	116.9°	118.4°
N2	C18	C23	C22	29.6°	40.2°
C18	N2	C19	C17	175.6°	179.0°
C18	N2	C19	C20	166.4°	176.2°
C18	N2	C17	C21	9.9°	3.6°
C18	N2	C17	C16	169.6°	174.9°
C18	N2	C19	H14	47.4°	57.3°
N2	C18	C23	H18	150.6°	81.0°
N2	C18	C23	H19	91.4°	160.7°
C18	N2	C19	H21	74.6°	64.7°
C23	C22	C21	H16	120.7°	120.4°
C23	C22	C21	H17	120.7°	120.4°
C23	C22	C21	C17	26.0°	30.2°
C23	C22	C21	C24	155.6°	151.7°
C23	C22	H16	H17	117.9°	119.2°
C22	C23	H18	H19	116.9°	118.2°
N2	C19	C20	H14	119.0°	118.7°
N2	C19	C20	H21	119.0°	119.3°
C19	N2	C17	C21	174.3°	175.5°
C19	N2	C17	C16	6.2°	5.9°
N2	C19	C20	C16	8.6°	2.2°
N2	C19	H14	H21	122.9°	122.1°
N2	C19	C20	H15	110.8°	116.8°
N2	C19	C20	H22	128.0°	120.9°
N2	C17	C21	C22	1.9°	5.4°
C17	N2	C19	C20	9.2°	4.8°
N2	C17	C21	C16	179.5°	178.4°
N2	C17	C21	C24	179.6°	176.4°
N2	C17	C16	C20	0.1°	4.3°
N2	C17	C16	C15	178.8°	176.5°
C17	N2	C19	H14	128.2°	123.6°
C17	N2	C19	H21	109.9°	114.3°
C22	C21	C17	C24	178.6°	178.2°
C22	C21	C17	C16	178.6°	176.1°
C22	C21	C24	C14	178.0°	177.5°
C21	C22	H16	H17	117.9°	119.2°
C21	C22	C23	H18	161.4°	74.7°
C21	C22	C23	H19	80.6°	167.0°
C22	C21	C24	H20	2.0°	3.0°
C19	C20	C16	C17	5.5°	1.1°
C19	C20	C16	H15	119.4°	118.9°
C19	C20	C16	H22	119.4°	118.7°
C19	C20	C16	C15	175.8°	179.9°
C20	C19	H14	H21	122.9°	122.0°
C19	C20	H15	H22	121.8°	122.3°
C21	C17	C16	C20	179.7°	177.1°
C21	C17	C16	C15	0.8°	2.1°
C17	C21	C24	C14	0.3°	0.5°
C17	C21	C22	H16	94.6°	90.2°
C17	C21	C22	H17	146.7°	150.6°
C17	C21	C24	H20	179.7°	179.0°
C16	C17	C21	C24	0.1°	2.0°
C17	C16	C20	C15	178.7°	179.0°
C17	C16	C15	C14	2.0°	0.7°
C17	C16	C15	H13	178.0°	179.3°
C17	C16	C20	H15	113.8°	120.0°
C17	C16	C20	H22	124.9°	117.6°
C21	C24	C14	H20	180.0°	179.5°
C21	C24	C14	C15	1.5°	0.9°
C21	C24	C14	C13	176.5°	179.4°
C24	C21	C22	H16	83.7°	87.9°
C24	C21	C22	H17	34.9°	31.3°
C20	C16	C15	C14	179.4°	178.3°
C20	C16	C15	H13	0.6°	1.8°
C16	C20	C19	H14	127.6°	120.9°
C16	C20	H15	H22	121.8°	122.3°
C16	C20	C19	H21	110.4°	117.0°
C16	C15	C14	C24	2.4°	0.8°
C16	C15	C14	H13	180.0°	179.9°
C16	C15	C14	C13	177.5°	179.5°
C15	C16	C20	H15	64.9°	61.0°
C15	C16	C20	H22	56.4°	61.4°
C24	C14	C15	C13	175.1°	179.7°
C24	C14	C13	C1	42.7°	90.3°
C24	C14	C13	H11	79.0°	149.7°
C24	C14	C13	H12	164.3°	29.7°
C24	C14	C15	H13	177.6°	179.2°
O1	C1	C13	C14	74.8°	0.3°
O1	C1	C13	C2	172.7°	179.7°
O1	C1	C2	C12	24.0°	0.3°
O1	C1	C2	C3	157.8°	180.0°
O1	C1	C13	H11	163.6°	120.3°
O1	C1	C13	H12	46.9°	119.7°
C15	C14	C13	C1	142.4°	90.0°
C15	C14	C13	H11	96.0°	30.0°
C15	C14	C13	H12	20.7°	150.0°
C15	C14	C24	H20	178.5°	179.6°
C14	C13	C1	H11	121.7°	120.1°
C14	C13	C1	H12	121.7°	120.0°
C14	C13	C1	C2	112.5°	180.0°
C14	C13	H11	H12	114.5°	120.1°
C13	C14	C15	H13	2.5°	0.5°
C13	C14	C24	H20	3.6°	0.1°
C13	C1	C2	C12	148.6°	180.0°
C13	C1	C2	C3	29.6°	0.3°
C1	C13	H11	H12	114.5°	119.9°
C1	C2	C12	C3	178.3°	179.7°
C1	C2	C12	C11	179.5°	179.8°
C1	C2	C3	C4	179.8°	179.7°
C1	C2	C3	H1	0.2°	0.4°
C1	C2	C12	H10	0.5°	0.4°
C2	C1	C13	H11	9.2°	60.0°
C2	C1	C13	H12	125.8°	60.0°
C2	C12	C11	H10	180.0°	179.8°
C12	C2	C3	C4	2.0°	0.1°
C2	C12	C11	C10	179.4°	179.3°
C2	C12	C11	C8	0.4°	1.3°
C12	C2	C3	H1	178.0°	179.8°
C3	C2	C12	C11	1.3°	0.0°
C2	C3	C4	H1	180.0°	179.9°
C2	C3	C4	C8	1.1°	1.1°
C2	C3	C4	C5	179.8°	177.1°
C3	C2	C12	H10	178.7°	179.9°
C12	C11	C10	C8	179.1°	179.5°
C12	C11	C10	C9	171.8°	179.4°
C12	C11	C8	C4	1.4°	2.6°
C12	C11	C8	N1	179.2°	177.2°
C12	C11	C10	H8	68.8°	61.7°
C12	C11	C10	H9	52.5°	60.5°
C3	C4	C8	C11	0.6°	2.5°
C3	C4	C8	C5	179.2°	178.4°
C3	C4	C8	N1	178.1°	177.3°
C3	C4	C5	C6	150.1°	151.4°
C3	C4	C5	H2	29.7°	88.2°
C3	C4	C5	H3	89.4°	31.1°
C11	C10	C9	H8	119.3°	118.8°
C11	C10	C9	H9	119.4°	118.9°
C10	C11	C8	C4	179.4°	177.9°
C10	C11	C8	N1	1.6°	2.4°
C11	C10	C9	N1	12.9°	2.1°
C11	C10	C9	H6	132.0°	121.1°
C11	C10	C9	H7	106.2°	116.9°
C11	C10	H8	H9	121.9°	122.3°
C10	C11	C12	H10	0.6°	0.6°
C8	C11	C10	C9	7.3°	0.0°
C11	C8	C4	N1	177.5°	179.7°
C11	C8	C4	C5	178.6°	175.9°
C11	C8	N1	C9	10.4°	3.8°
C11	C8	N1	C7	164.5°	173.9°
C8	C11	C10	H8	112.1°	118.8°
C8	C11	C10	H9	126.7°	118.9°
C8	C11	C12	H10	179.6°	178.9°
C10	C9	N1	C8	14.2°	3.5°
C10	C9	N1	H6	119.1°	119.0°
C10	C9	N1	H7	119.1°	119.0°
C10	C9	N1	C7	166.4°	173.9°
C10	C9	H6	H7	122.5°	122.1°
C9	C10	H8	H9	121.9°	122.3°
C4	C8	N1	C9	171.9°	176.4°
C4	C8	N1	C7	17.7°	5.8°
C8	C4	C5	C6	30.7°	30.3°
C8	C4	C3	H1	178.9°	179.0°
C8	C4	C5	H2	151.2°	90.1°
C8	C4	C5	H3	89.7°	150.7°
C5	C4	C8	N1	1.1°	4.4°
C4	C5	C6	H2	120.4°	120.4°
C4	C5	C6	H3	120.4°	120.4°
C4	C5	C6	C7	48.1°	46.3°
C5	C4	C3	H1	0.2°	2.8°
C4	C5	H2	H3	118.7°	119.3°
C4	C5	C6	H4	72.7°	167.1°
C4	C5	C6	H5	168.9°	74.6°
C8	N1	C9	C7	152.2°	177.4°
C8	N1	C7	C6	0.9°	12.5°
C8	N1	C7	O2	178.9°	167.4°
C8	N1	C9	H6	133.3°	122.5°
C8	N1	C9	H7	105.0°	115.5°
C9	N1	C7	C6	148.7°	164.7°
C9	N1	C7	O2	31.5°	15.4°
N1	C9	H6	H7	122.5°	121.9°
N1	C9	C10	H8	106.5°	120.9°
N1	C9	C10	H9	132.2°	116.8°
N1	C7	C6	C5	33.2°	39.1°
N1	C7	C6	O2	179.8°	179.9°
N1	C7	C6	H4	87.6°	159.9°
N1	C7	C6	H5	153.9°	81.8°
C7	N1	C9	H6	74.5°	54.9°
C7	N1	C9	H7	47.2°	67.0°
C5	C6	C7	H4	120.8°	120.8°
C5	C6	C7	H5	120.8°	120.9°
C5	C6	C7	O2	146.6°	140.8°
C6	C5	H2	H3	118.7°	119.2°
C5	C6	H4	H5	117.5°	118.4°
C7	C6	C5	H2	168.5°	74.1°
C7	C6	C5	H3	72.3°	166.7°
C7	C6	H4	H5	117.6°	118.4°
O2	C7	C6	H4	92.6°	20.0°
O2	C7	C6	H5	25.8°	98.3°
H2	C5	C6	H4	47.7°	46.8°
H2	C5	C6	H5	70.7°	165.1°
H3	C5	C6	H4	166.9°	72.5°
H3	C5	C6	H5	48.5°	45.8°
H6	C9	C10	H8	12.7°	120.1°
H6	C9	C10	H9	108.6°	2.2°
H7	C9	C10	H8	134.4°	2.0°
H7	C9	C10	H9	13.1°	124.2°
H14	C19	C20	H15	8.2°	1.9°
H14	C19	C20	H22	113.0°	120.4°
H15	C20	C19	H21	130.2°	123.9°
H16	C22	C23	H18	40.7°	164.8°
H16	C22	C23	H19	158.7°	46.5°
H17	C22	C23	H18	77.9°	45.6°
H17	C22	C23	H19	40.1°	72.7°
H21	C19	C20	H22	9.0°	1.6°

Release date:	2026-01-21
Definition date:	2025-03-24
Last modified:	2026-01-16
Release status:	REL
Processing site:	PDBE
Derived from:	9IEX