A1C99

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C26	C25	doub	1.39Å	1.38Å	Aromatic
C26	C27	sing	1.36Å	1.36Å	Aromatic
C25	C24	sing	1.36Å	1.36Å	Aromatic
C27	C22	doub	1.41Å	1.41Å	Aromatic
C24	C23	doub	1.40Å	1.42Å	Aromatic
C22	C23	sing	1.42Å	1.42Å	Aromatic
C22	C21	sing	1.41Å	1.41Å	Aromatic
C23	C18	sing	1.42Å	1.43Å	Aromatic
C21	C20	doub	1.36Å	1.36Å	Aromatic
C20	C19	sing	1.39Å	1.38Å	Aromatic
C18	C19	doub	1.38Å	1.38Å	Aromatic
C18	C17	sing	1.48Å	1.49Å
N28	C17	doub	1.33Å	1.33Å	Aromatic
N28	N29	sing	1.28Å	1.34Å	Aromatic
C17	C10	sing	1.41Å	1.41Å	Aromatic
N29	C8	doub	1.33Å	1.33Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C16	C11	sing	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.48Å	1.49Å
C10	C9	doub	1.40Å	1.39Å	Aromatic
C15	N14	sing	1.32Å	1.34Å	Aromatic
C6	C5	sing	1.53Å	1.52Å
C6	N7	sing	1.47Å	1.46Å
C8	C9	sing	1.39Å	1.39Å	Aromatic
C8	N7	sing	1.39Å	1.37Å
C5	N2	sing	1.47Å	1.49Å
C11	C12	doub	1.40Å	1.39Å	Aromatic
N7	C4	sing	1.47Å	1.46Å
C4	C3	sing	1.53Å	1.52Å
N14	C13	doub	1.32Å	1.34Å	Aromatic
N2	C1	sing	1.47Å	1.49Å
N2	C3	sing	1.47Å	1.49Å
C12	C13	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C9	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C13	H15	sing	1.08Å	1.08Å
C15	H16	sing	1.08Å	1.08Å
C16	H17	sing	1.08Å	1.08Å
C19	H18	sing	1.08Å	1.08Å
C20	H19	sing	1.08Å	1.08Å
C21	H20	sing	1.08Å	1.08Å
C24	H21	sing	1.08Å	1.08Å
C25	H22	sing	1.08Å	1.08Å
C26	H23	sing	1.08Å	1.08Å
C27	H24	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	C26	C27	120.6°	121.0°
C26	C25	C24	120.6°	121.0°
C26	C25	H22	119.7°	119.6°
C25	C26	H23	119.7°	119.5°
C26	C27	C22	120.8°	119.7°
C27	C26	H23	119.7°	119.5°
C26	C27	H24	119.6°	120.2°
C25	C24	C23	121.1°	119.6°
C25	C24	H21	119.4°	120.1°
C24	C25	H22	119.7°	119.5°
C27	C22	C23	118.9°	119.3°
C27	C22	C21	122.1°	121.2°
C22	C27	H24	119.6°	120.1°
C24	C23	C22	117.9°	119.5°
C24	C23	C18	123.3°	121.2°
C23	C24	H21	119.4°	120.2°
C23	C22	C21	119.0°	119.5°
C22	C23	C18	118.8°	119.3°
C22	C21	C20	120.7°	120.1°
C22	C21	H20	119.7°	119.9°
C23	C18	C19	119.3°	119.3°
C23	C18	C17	121.8°	120.4°
C21	C20	C19	120.8°	121.2°
C21	C20	H19	119.6°	119.4°
C20	C21	H20	119.7°	120.0°
C20	C19	C18	121.5°	120.7°
C20	C19	H18	119.2°	119.6°
C19	C20	H19	119.6°	119.4°
C19	C18	C17	118.8°	120.3°
C18	C19	H18	119.3°	119.7°
C18	C17	N28	114.4°	120.2°
C18	C17	C10	123.7°	120.2°
C17	N28	N29	120.9°	122.2°
N28	C17	C10	121.9°	119.6°
N28	N29	C8	119.7°	122.5°
C17	C10	C11	124.4°	121.2°
C17	C10	C9	116.7°	117.7°
N29	C8	C9	122.9°	120.0°
N29	C8	N7	115.2°	120.0°
C15	C16	C11	119.3°	119.0°
C16	C15	N14	123.7°	120.9°
C16	C15	H16	118.2°	119.5°
C15	C16	H17	120.3°	120.5°
C16	C11	C10	121.6°	120.9°
C16	C11	C12	117.2°	118.2°
C11	C16	H17	120.4°	120.5°
C11	C10	C9	118.8°	121.1°
C10	C11	C12	121.1°	120.9°
C10	C9	C8	117.9°	117.9°
C10	C9	H13	121.1°	121.0°
C15	N14	C13	116.8°	122.1°
N14	C15	H16	118.1°	119.6°
C5	C6	N7	110.3°	109.4°
C6	C5	N2	110.5°	109.4°
C6	C5	H8	109.2°	109.5°
C6	C5	H9	109.2°	109.5°
C5	C6	H10	109.3°	109.5°
C5	C6	H11	109.3°	109.5°
C6	N7	C8	120.3°	111.0°
C6	N7	C4	111.9°	110.9°
N7	C6	H10	109.2°	109.6°
N7	C6	H11	109.3°	109.4°
C9	C8	N7	121.9°	120.0°
C8	C9	H13	121.0°	121.1°
C8	N7	C4	120.9°	111.0°
C5	N2	C1	111.5°	111.0°
C5	N2	C3	110.2°	110.9°
N2	C5	H8	109.2°	109.5°
N2	C5	H9	109.2°	109.5°
C11	C12	C13	119.3°	119.0°
C11	C12	H14	120.3°	120.5°
N7	C4	C3	110.3°	109.3°
N7	C4	H6	109.3°	109.5°
N7	C4	H7	109.3°	109.5°
C4	C3	N2	110.4°	109.3°
C4	C3	H4	109.2°	109.5°
C4	C3	H5	109.2°	109.5°
C3	C4	H6	109.3°	109.5°
C3	C4	H7	109.3°	109.5°
N14	C13	C12	123.7°	120.9°
N14	C13	H15	118.2°	119.6°
C1	N2	C3	111.5°	111.0°
N2	C1	H1	109.5°	109.5°
N2	C1	H2	109.5°	109.5°
N2	C1	H3	109.5°	109.5°
N2	C3	H4	109.2°	109.5°
N2	C3	H5	109.2°	109.5°
C13	C12	H14	120.4°	120.5°
C12	C13	H15	118.2°	119.6°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.4°	109.5°
H4	C3	H5	109.5°	109.5°
H6	C4	H7	109.4°	109.5°
H8	C5	H9	109.5°	109.5°
H10	C6	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	C26	C27	H23	180.0°	179.3°
C26	C25	C24	H22	180.0°	179.9°
C25	C26	C27	C22	0.0°	1.2°
C26	C25	C24	C23	0.1°	0.0°
C26	C25	C24	H21	179.9°	180.0°
C25	C26	C27	H24	180.0°	180.0°
C27	C26	C25	C24	0.0°	0.6°
C26	C27	C22	H24	180.0°	178.8°
C26	C27	C22	C23	0.0°	1.2°
C26	C27	C22	C21	179.9°	179.4°
C27	C26	C25	H22	179.9°	179.4°
C25	C24	C23	H21	180.0°	180.0°
C25	C24	C23	C22	0.1°	0.0°
C25	C24	C23	C18	179.9°	179.4°
C24	C25	C26	H23	180.0°	180.0°
C27	C22	C23	C24	0.1°	0.6°
C27	C22	C23	C21	180.0°	179.4°
C27	C22	C23	C18	179.9°	180.0°
C27	C22	C21	C20	180.0°	179.7°
C27	C22	C21	H20	0.0°	0.3°
C22	C27	C26	H23	180.0°	179.4°
C24	C23	C22	C18	180.0°	179.4°
C24	C23	C22	C21	179.9°	180.0°
C24	C23	C18	C19	179.9°	180.0°
C24	C23	C18	C17	3.8°	0.3°
C23	C24	C25	H22	179.9°	180.0°
C23	C22	C21	C20	0.0°	0.3°
C22	C23	C18	C19	0.1°	0.6°
C22	C23	C18	C17	176.2°	179.7°
C23	C22	C21	H20	180.0°	179.7°
C22	C23	C24	H21	179.9°	180.0°
C23	C22	C27	H24	180.0°	180.0°
C21	C22	C23	C18	0.1°	0.6°
C22	C21	C20	H20	180.0°	180.0°
C22	C21	C20	C19	0.1°	0.1°
C22	C21	C20	H19	179.9°	180.0°
C21	C22	C27	H24	0.0°	0.6°
C23	C18	C19	C20	0.0°	0.3°
C23	C18	C19	C17	176.4°	179.7°
C23	C18	C17	N28	65.8°	52.5°
C23	C18	C17	C10	115.5°	127.4°
C23	C18	C19	H18	180.0°	179.7°
C18	C23	C24	H21	0.1°	0.6°
C21	C20	C19	H19	180.0°	179.9°
C21	C20	C19	C18	0.1°	0.1°
C21	C20	C19	H18	179.9°	179.9°
C20	C19	C18	H18	180.0°	180.0°
C20	C19	C18	C17	176.4°	180.0°
C19	C20	C21	H20	180.0°	180.0°
C19	C18	C17	N28	110.6°	127.8°
C19	C18	C17	C10	68.2°	52.3°
C18	C19	C20	H19	179.9°	180.0°
C18	C17	N28	C10	178.8°	179.9°
C18	C17	N28	N29	178.0°	179.7°
C18	C17	C10	C11	0.4°	0.1°
C18	C17	C10	C9	177.6°	180.0°
C17	C18	C19	H18	3.6°	0.0°
C17	N28	N29	C8	0.1°	0.5°
N28	C17	C10	C11	179.0°	179.9°
N28	C17	C10	C9	1.1°	0.1°
N29	N28	C17	C10	0.7°	0.2°
N28	N29	C8	C9	0.1°	0.5°
N28	N29	C8	N7	179.0°	179.7°
C17	C10	C11	C16	46.8°	56.4°
C17	C10	C11	C9	177.9°	180.0°
C17	C10	C9	C8	0.8°	0.1°
C17	C10	C11	C12	135.9°	123.9°
C17	C10	C9	H13	179.1°	179.9°
N29	C8	C9	C10	0.3°	0.2°
N29	C8	N7	C6	4.3°	0.2°
N29	C8	C9	N7	179.0°	179.8°
N29	C8	N7	C4	152.7°	124.0°
N29	C8	C9	H13	179.7°	179.8°
C15	C16	C11	H17	180.0°	179.5°
C15	C16	C11	C10	177.4°	179.7°
C16	C15	N14	H16	180.0°	179.7°
C15	C16	C11	C12	0.0°	0.5°
C16	C15	N14	C13	0.1°	0.3°
C16	C11	C10	C12	177.3°	179.8°
C16	C11	C10	C9	135.3°	123.7°
C11	C16	C15	N14	0.1°	0.6°
C16	C11	C12	C13	0.1°	0.3°
C16	C11	C12	H14	180.0°	179.8°
C11	C16	C15	H16	179.9°	179.7°
C11	C10	C9	C8	178.9°	180.0°
C10	C11	C12	C13	177.5°	180.0°
C11	C10	C9	H13	1.1°	0.0°
C10	C11	C12	H14	2.5°	0.0°
C10	C11	C16	H17	2.6°	0.3°
C10	C9	C8	H13	180.0°	180.0°
C10	C9	C8	N7	179.3°	180.0°
C9	C10	C11	C12	42.1°	56.1°
C15	N14	C13	C12	0.0°	0.0°
C15	N14	C13	H15	180.0°	180.0°
N14	C15	C16	H17	179.9°	180.0°
C5	C6	N7	H10	120.1°	120.1°
C5	C6	N7	H11	120.1°	119.9°
C5	C6	N7	C8	148.7°	176.8°
C6	C5	N2	H8	120.2°	120.0°
C6	C5	N2	H9	120.1°	120.0°
C5	C6	N7	C4	2.3°	59.3°
C6	C5	N2	C1	179.0°	64.6°
C6	C5	N2	C3	54.7°	59.3°
C6	C5	H8	H9	119.5°	120.1°
C5	C6	H10	H11	119.6°	120.0°
C6	N7	C8	C9	176.6°	180.0°
C6	N7	C8	C4	148.4°	123.8°
N7	C6	C5	N2	58.9°	58.4°
C6	N7	C4	C3	55.6°	59.3°
C6	N7	C4	H6	175.7°	60.7°
C6	N7	C4	H7	64.6°	179.3°
N7	C6	C5	H8	61.2°	178.3°
N7	C6	C5	H9	179.1°	61.6°
N7	C6	H10	H11	119.6°	120.0°
C9	C8	N7	C4	28.2°	56.2°
C8	N7	C4	C3	153.6°	176.8°
C8	N7	C4	H6	33.5°	63.2°
C8	N7	C4	H7	86.3°	56.9°
C8	N7	C6	H10	91.2°	56.7°
C8	N7	C6	H11	28.6°	63.3°
N7	C8	C9	H13	0.6°	0.0°
C5	N2	C3	C4	2.7°	59.4°
C5	N2	C1	C3	123.6°	123.8°
C5	N2	C1	H1	180.0°	60.0°
C5	N2	C1	H2	60.0°	180.0°
C5	N2	C1	H3	60.0°	60.0°
C5	N2	C3	H4	117.4°	60.6°
C5	N2	C3	H5	122.9°	179.3°
N2	C5	H8	H9	119.5°	120.0°
N2	C5	C6	H10	61.2°	178.4°
N2	C5	C6	H11	179.1°	61.5°
C11	C12	C13	N14	0.1°	0.0°
C11	C12	C13	H14	180.0°	180.0°
C11	C12	C13	H15	180.0°	180.0°
C12	C11	C16	H17	180.0°	180.0°
N7	C4	C3	H6	120.1°	120.0°
N7	C4	C3	H7	120.1°	120.0°
N7	C4	C3	N2	59.0°	58.4°
N7	C4	C3	H4	61.2°	61.6°
N7	C4	C3	H5	179.1°	178.4°
N7	C4	H6	H7	119.6°	120.1°
C4	N7	C6	H10	117.8°	179.4°
C4	N7	C6	H11	122.4°	60.6°
C4	C3	N2	C1	121.6°	64.5°
C4	C3	N2	H4	120.1°	120.0°
C4	C3	N2	H5	120.2°	120.0°
C4	C3	H4	H5	119.6°	120.0°
C3	C4	H6	H7	119.7°	120.0°
N14	C13	C12	H15	180.0°	180.0°
N14	C13	C12	H14	180.0°	180.0°
C13	N14	C15	H16	179.9°	180.0°
N2	C1	H1	H2	120.0°	120.0°
N2	C1	H1	H3	120.0°	120.1°
N2	C1	H2	H3	120.0°	120.0°
C1	N2	C3	H4	118.3°	175.5°
C1	N2	C3	H5	1.4°	55.4°
C1	N2	C5	H8	58.9°	55.4°
C1	N2	C5	H9	60.8°	175.4°
C3	N2	C1	H1	56.4°	176.1°
C3	N2	C1	H2	63.6°	56.2°
C3	N2	C1	H3	176.4°	63.8°
N2	C3	H4	H5	119.5°	120.1°
N2	C3	C4	H6	179.1°	61.6°
N2	C3	C4	H7	61.2°	178.4°
C3	N2	C5	H8	65.5°	179.3°
C3	N2	C5	H9	174.8°	60.7°
H1	C1	H2	H3	120.0°	120.0°
H4	C3	C4	H6	58.9°	178.4°
H4	C3	C4	H7	178.7°	58.4°
H5	C3	C4	H6	60.8°	58.4°
H5	C3	C4	H7	59.0°	61.6°
H8	C5	C6	H10	178.6°	61.6°
H8	C5	C6	H11	58.9°	58.4°
H9	C5	C6	H10	58.9°	58.4°
H9	C5	C6	H11	60.8°	178.5°
H14	C12	C13	H15	0.0°	0.0°
H16	C15	C16	H17	0.1°	0.3°
H18	C19	C20	H19	0.1°	0.0°
H19	C20	C21	H20	0.1°	0.0°
H21	C24	C25	H22	0.1°	0.1°
H22	C25	C26	H23	0.0°	0.1°
H23	C26	C27	H24	0.0°	0.6°

Release date:	2026-04-08
Definition date:	2026-03-09
Last modified:	2026-04-03
Release status:	REL
Processing site:	RCSB
Derived from:	11OY