A1C5S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.51Å
C1	N	sing	1.47Å	1.46Å
N	C2	sing	1.36Å	1.34Å	Aromatic
C2	C3	doub	1.36Å	1.37Å	Aromatic
C4	C3	sing	1.40Å	1.40Å	Aromatic
N1	C4	doub	1.31Å	1.32Å	Aromatic
N	N1	sing	1.40Å	1.36Å	Aromatic
C3	N2	sing	1.41Å	1.36Å
N2	C5	sing	1.47Å	1.46Å
C5	C6	sing	1.53Å	1.53Å
C7	C6	sing	1.53Å	1.53Å
C8	C7	sing	1.53Å	1.53Å
C9	C8	sing	1.53Å	1.52Å
N2	C9	sing	1.47Å	1.48Å
C10	C9	sing	1.53Å	1.52Å
C6	C11	sing	1.51Å	1.49Å
C11	N3	sing	1.33Å	1.37Å	Aromatic
N3	C12	doub	1.32Å	1.32Å	Aromatic
C12	C13	sing	1.47Å	1.45Å	Aromatic
C13	C14	doub	1.39Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C15	C16	doub	1.39Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.39Å	Aromatic
C17	C18	doub	1.40Å	1.40Å	Aromatic
C13	C18	sing	1.41Å	1.40Å	Aromatic
C18	N4	sing	1.36Å	1.39Å	Aromatic
N4	C19	doub	1.31Å	1.34Å	Aromatic
N5	C19	sing	1.37Å	1.40Å	Aromatic
C12	N5	sing	1.37Å	1.37Å	Aromatic
N6	N5	sing	1.40Å	1.37Å	Aromatic
C11	N6	doub	1.31Å	1.32Å	Aromatic
C19	N7	sing	1.37Å	1.34Å
O	C17	sing	1.36Å	1.37Å
C20	O	sing	1.43Å	1.43Å
H	C	sing	1.09Å	1.10Å
H1	C	sing	1.09Å	1.10Å
H2	C	sing	1.09Å	1.10Å
H3	C1	sing	1.09Å	1.10Å
H4	C1	sing	1.09Å	1.10Å
H5	C2	sing	1.08Å	1.08Å
H6	C4	sing	1.08Å	1.08Å
H7	C5	sing	1.09Å	1.10Å
H8	C5	sing	1.09Å	1.10Å
H9	C6	sing	1.09Å	1.10Å
H10	C7	sing	1.09Å	1.10Å
H11	C7	sing	1.09Å	1.10Å
H12	C8	sing	1.09Å	1.10Å
H13	C8	sing	1.09Å	1.10Å
H14	C9	sing	1.09Å	1.10Å
H15	C10	sing	1.09Å	1.10Å
H16	C10	sing	1.09Å	1.10Å
H17	C10	sing	1.09Å	1.10Å
H18	C14	sing	1.08Å	1.08Å
H19	C15	sing	1.08Å	1.08Å
H20	C16	sing	1.08Å	1.08Å
H21	N7	sing	0.97Å	1.00Å
H22	N7	sing	0.97Å	1.00Å
H23	C20	sing	1.09Å	1.10Å
H24	C20	sing	1.09Å	1.10Å
H25	C20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	N	111.3°	109.5°
C1	C	H	109.5°	109.5°
C1	C	H1	109.4°	109.5°
C1	C	H2	109.5°	109.5°
C	C1	H3	109.0°	109.5°
C	C1	H4	109.0°	109.5°
C1	N	C2	126.1°	126.1°
C1	N	N1	121.3°	126.1°
N	C1	H3	109.0°	109.4°
N	C1	H4	109.0°	109.5°
N	C2	C3	105.9°	107.6°
C2	N	N1	112.6°	107.8°
N	C2	H5	127.1°	126.2°
C2	C3	C4	106.0°	107.9°
C2	C3	N2	125.0°	126.1°
C3	C2	H5	127.0°	126.3°
C3	C4	N1	110.9°	108.3°
C4	C3	N2	129.1°	126.0°
C3	C4	H6	124.6°	125.8°
C4	N1	N	104.6°	108.4°
N1	C4	H6	124.5°	125.8°
C3	N2	C5	120.5°	111.0°
C3	N2	C9	118.4°	111.0°
N2	C5	C6	110.4°	109.5°
C5	N2	C9	117.5°	111.2°
N2	C5	H7	109.3°	109.4°
N2	C5	H8	109.2°	109.5°
C5	C6	C7	108.8°	109.3°
C5	C6	C11	111.1°	109.5°
C6	C5	H7	109.2°	109.4°
C6	C5	H8	109.2°	109.5°
C5	C6	H9	108.3°	109.5°
C6	C7	C8	110.6°	109.2°
C7	C6	C11	111.5°	109.5°
C7	C6	H9	108.3°	109.5°
C6	C7	H10	109.2°	109.5°
C6	C7	H11	109.2°	109.5°
C7	C8	C9	112.1°	109.3°
C8	C7	H10	109.2°	109.5°
C8	C7	H11	109.2°	109.6°
C7	C8	H12	108.8°	109.5°
C7	C8	H13	108.8°	109.5°
C8	C9	N2	109.5°	109.5°
C8	C9	C10	112.6°	109.4°
C9	C8	H12	108.8°	109.5°
C9	C8	H13	108.8°	109.5°
C8	C9	H14	107.6°	109.4°
N2	C9	C10	111.4°	109.5°
N2	C9	H14	108.1°	109.5°
C10	C9	H14	107.6°	109.5°
C9	C10	H15	109.5°	109.5°
C9	C10	H16	109.5°	109.4°
C9	C10	H17	109.5°	109.5°
C6	C11	N3	121.1°	125.2°
C6	C11	N6	123.2°	125.2°
C11	C6	H9	108.8°	109.5°
C11	N3	C12	103.1°	109.7°
N3	C11	N6	115.7°	109.5°
N3	C12	C13	132.2°	134.5°
N3	C12	N5	109.4°	107.8°
C12	C13	C14	122.7°	122.0°
C12	C13	C18	117.0°	117.9°
C13	C12	N5	118.3°	117.7°
C13	C14	C15	119.8°	119.7°
C14	C13	C18	120.4°	120.0°
C13	C14	H18	120.1°	120.1°
C14	C15	C16	120.7°	120.6°
C15	C14	H18	120.1°	120.2°
C14	C15	H19	119.6°	119.7°
C15	C16	C17	120.0°	120.7°
C16	C15	H19	119.7°	119.7°
C15	C16	H20	120.0°	119.7°
C16	C17	C18	120.2°	119.7°
C16	C17	O	124.7°	120.2°
C17	C16	H20	120.0°	119.6°
C17	C18	C13	119.0°	119.2°
C17	C18	N4	118.8°	121.4°
C18	C17	O	115.1°	120.1°
C13	C18	N4	122.2°	119.3°
C18	N4	C19	119.9°	122.0°
N4	C19	N5	120.3°	122.7°
N4	C19	N7	118.5°	118.6°
C19	N5	C12	122.2°	120.3°
C19	N5	N6	127.6°	133.8°
N5	C19	N7	118.3°	118.7°
C12	N5	N6	110.2°	105.9°
N5	N6	C11	101.6°	107.1°
C19	N7	H21	109.5°	120.0°
C19	N7	H22	109.5°	120.0°
C17	O	C20	117.9°	117.0°
O	C20	H23	109.5°	109.5°
O	C20	H24	109.5°	109.5°
O	C20	H25	109.5°	109.5°
H	C	H1	109.5°	109.4°
H	C	H2	109.5°	109.5°
H1	C	H2	109.5°	109.5°
H3	C1	H4	109.5°	109.4°
H7	C5	H8	109.5°	109.5°
H10	C7	H11	109.5°	109.5°
H12	C8	H13	109.5°	109.5°
H15	C10	H16	109.4°	109.5°
H15	C10	H17	109.4°	109.5°
H16	C10	H17	109.5°	109.5°
H21	N7	H22	109.5°	120.0°
H23	C20	H24	109.5°	109.5°
H23	C20	H25	109.5°	109.5°
H24	C20	H25	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	N	H3	120.3°	120.0°
C	C1	N	H4	120.3°	120.1°
C	C1	N	C2	65.2°	124.9°
C	C1	N	N1	114.5°	54.8°
C1	C	H	H1	120.0°	120.0°
C1	C	H	H2	120.0°	120.0°
C1	C	H1	H2	120.0°	120.0°
C	C1	H3	H4	119.2°	120.0°
C1	N	C2	N1	179.7°	179.8°
C1	N	C2	C3	179.7°	180.0°
C1	N	N1	C4	179.7°	179.8°
N	C1	C	H	180.0°	180.0°
N	C1	C	H1	60.0°	60.0°
N	C1	C	H2	60.0°	60.0°
N	C1	H3	H4	119.2°	120.0°
C1	N	C2	H5	0.4°	0.0°
N	C2	C3	H5	180.0°	180.0°
N	C2	C3	C4	0.0°	0.2°
C2	N	N1	C4	0.0°	0.1°
N	C2	C3	N2	180.0°	180.0°
C2	N	C1	H3	55.1°	115.1°
C2	N	C1	H4	174.5°	4.9°
C2	C3	C4	N2	179.9°	179.8°
C2	C3	C4	N1	0.0°	0.2°
C3	C2	N	N1	0.0°	0.2°
C2	C3	N2	C5	97.9°	56.0°
C2	C3	N2	C9	104.1°	179.8°
C2	C3	C4	H6	180.0°	179.8°
C3	C4	N1	H6	180.0°	180.0°
C3	C4	N1	N	0.0°	0.1°
C4	C3	N2	C5	82.2°	123.7°
C4	C3	N2	C9	75.8°	0.5°
C4	C3	C2	H5	179.9°	179.8°
N1	C4	C3	N2	180.0°	180.0°
N1	N	C1	H3	125.3°	65.2°
N1	N	C1	H4	5.8°	174.9°
N1	N	C2	H5	179.9°	179.8°
N	N1	C4	H6	180.0°	179.9°
C3	N2	C5	C9	158.2°	124.1°
C3	N2	C5	C6	147.0°	174.2°
C3	N2	C9	C8	149.8°	174.2°
C3	N2	C9	C10	85.1°	65.8°
N2	C3	C2	H5	0.0°	0.0°
N2	C3	C4	H6	0.0°	0.0°
C3	N2	C5	H7	92.8°	65.9°
C3	N2	C5	H8	26.9°	54.1°
C3	N2	C9	H14	32.9°	54.2°
N2	C5	C6	H7	120.2°	120.0°
N2	C5	C6	H8	120.1°	120.1°
N2	C5	C6	C7	55.5°	59.1°
C5	N2	C9	C8	51.5°	61.8°
C5	N2	C9	C10	73.6°	58.3°
N2	C5	C6	C11	178.5°	179.1°
N2	C5	H7	H8	119.6°	120.0°
N2	C5	C6	H9	62.0°	60.8°
C5	N2	C9	H14	168.4°	178.3°
C5	C6	C7	C11	122.8°	120.0°
C5	C6	C7	H9	117.5°	119.9°
C5	C6	C7	C8	57.9°	57.6°
C6	C5	N2	C9	54.8°	61.7°
C5	C6	C11	H9	119.1°	120.0°
C5	C6	C11	N3	147.0°	120.0°
C5	C6	C11	N6	33.8°	59.3°
C6	C5	H7	H8	119.5°	120.0°
C5	C6	C7	H10	62.3°	62.3°
C5	C6	C7	H11	178.1°	177.6°
C6	C7	C8	H10	120.1°	119.9°
C6	C7	C8	H11	120.2°	120.0°
C6	C7	C8	C9	56.9°	57.6°
C7	C6	C11	H9	119.4°	120.1°
C7	C6	C11	N3	91.5°	120.1°
C7	C6	C11	N6	87.7°	60.6°
C7	C6	C5	H7	64.7°	60.8°
C7	C6	C5	H8	175.6°	179.2°
C6	C7	H10	H11	119.4°	120.1°
C6	C7	C8	H12	177.2°	177.6°
C6	C7	C8	H13	63.5°	62.4°
C7	C8	C9	H12	120.4°	120.0°
C7	C8	C9	H13	120.4°	119.9°
C7	C8	C9	N2	50.9°	59.2°
C7	C8	C9	C10	73.5°	60.9°
C8	C7	C6	C11	179.2°	177.6°
C8	C7	C6	H9	59.6°	62.3°
C8	C7	H10	H11	119.5°	120.2°
C7	C8	H12	H13	118.9°	120.0°
C7	C8	C9	H14	168.2°	179.2°
C8	C9	N2	C10	125.1°	120.0°
C8	C9	N2	H14	116.9°	120.0°
C8	C9	C10	H14	118.3°	119.9°
C9	C8	C7	H10	63.3°	62.3°
C9	C8	C7	H11	177.0°	177.6°
C9	C8	H12	H13	118.8°	120.1°
C8	C9	C10	H15	180.0°	60.0°
C8	C9	C10	H16	60.0°	180.0°
C8	C9	C10	H17	60.0°	60.0°
N2	C9	C10	H14	118.3°	120.0°
C9	N2	C5	H7	65.3°	58.3°
C9	N2	C5	H8	174.9°	178.3°
N2	C9	C8	H12	171.3°	179.2°
N2	C9	C8	H13	69.5°	60.7°
N2	C9	C10	H15	56.6°	60.0°
N2	C9	C10	H16	63.4°	59.9°
N2	C9	C10	H17	176.6°	179.9°
C10	C9	C8	H12	46.9°	59.1°
C10	C9	C8	H13	166.1°	179.2°
C9	C10	H15	H16	120.0°	120.0°
C9	C10	H15	H17	120.0°	120.0°
C9	C10	H16	H17	120.0°	120.0°
C6	C11	N3	N6	179.3°	179.4°
C6	C11	N3	C12	179.1°	180.0°
C6	C11	N6	N5	179.2°	179.9°
C11	C6	C5	H7	58.4°	59.2°
C11	C6	C5	H8	61.3°	60.8°
C11	C6	C7	H10	60.6°	57.7°
C11	C6	C7	H11	59.0°	62.4°
C11	N3	C12	C13	179.6°	179.9°
C11	N3	C12	N5	0.1°	0.3°
N3	C11	N6	N5	0.1°	0.7°
N3	C11	C6	H9	27.9°	0.0°
N3	C12	C13	N5	179.7°	179.7°
N3	C12	C13	C14	0.0°	0.1°
N3	C12	C13	C18	179.7°	180.0°
N3	C12	N5	C19	179.9°	179.7°
N3	C12	N5	N6	0.1°	0.1°
C12	N3	C11	N6	0.1°	0.6°
C12	C13	C14	C18	179.7°	180.0°
C12	C13	C14	C15	179.8°	180.0°
C12	C13	C18	C17	179.8°	179.9°
C12	C13	C18	N4	0.1°	0.1°
C13	C12	N5	C19	0.1°	0.5°
C13	C12	N5	N6	179.7°	179.7°
C12	C13	C14	H18	0.3°	0.0°
C13	C14	C15	H18	180.0°	180.0°
C13	C14	C15	C16	0.0°	0.0°
C14	C13	C18	C17	0.0°	0.0°
C14	C13	C18	N4	179.8°	179.9°
C14	C13	C12	N5	179.7°	179.7°
C13	C14	C15	H19	180.0°	180.0°
C14	C15	C16	H19	180.0°	180.0°
C14	C15	C16	C17	0.0°	0.0°
C15	C14	C13	C18	0.0°	0.0°
C14	C15	C16	H20	180.0°	180.0°
C15	C16	C17	H20	180.0°	180.0°
C15	C16	C17	C18	0.0°	0.1°
C15	C16	C17	O	180.0°	180.0°
C16	C15	C14	H18	180.0°	179.9°
C16	C17	C18	O	180.0°	179.9°
C16	C17	C18	C13	0.0°	0.1°
C16	C17	C18	N4	179.8°	180.0°
C16	C17	O	C20	0.3°	0.0°
C17	C16	C15	H19	180.0°	180.0°
C17	C18	C13	N4	179.9°	179.9°
C17	C18	N4	C19	179.8°	179.9°
C18	C17	O	C20	179.7°	179.9°
C18	C17	C16	H20	180.0°	180.0°
C13	C18	N4	C19	0.1°	0.0°
C18	C13	C12	N5	0.0°	0.3°
C13	C18	C17	O	180.0°	180.0°
C18	C13	C14	H18	180.0°	179.9°
C18	N4	C19	N5	0.0°	0.3°
C18	N4	C19	N7	160.7°	180.0°
N4	C18	C17	O	0.2°	0.1°
N4	C19	N5	N7	160.8°	179.7°
N4	C19	N5	C12	0.1°	0.6°
N4	C19	N5	N6	179.6°	179.8°
N4	C19	N7	H21	0.0°	0.0°
N4	C19	N7	H22	120.0°	179.7°
C19	N5	C12	N6	179.7°	179.8°
C19	N5	N6	C11	179.8°	179.2°
N5	C19	N7	H21	161.1°	179.7°
N5	C19	N7	H22	78.8°	0.6°
C12	N5	N6	C11	0.0°	0.5°
C12	N5	C19	N7	160.7°	179.7°
N6	N5	C19	N7	19.6°	0.1°
N6	C11	C6	H9	152.9°	179.3°
C19	N7	H21	H22	120.0°	179.7°
O	C17	C16	H20	0.0°	0.0°
C17	O	C20	H23	180.0°	180.0°
C17	O	C20	H24	60.0°	60.0°
C17	O	C20	H25	60.0°	60.0°
O	C20	H23	H24	120.0°	120.0°
O	C20	H23	H25	120.0°	120.0°
O	C20	H24	H25	120.0°	120.0°
H	C	H1	H2	120.0°	120.0°
H	C	C1	H3	59.7°	60.0°
H	C	C1	H4	59.7°	60.0°
H1	C	C1	H3	60.3°	60.0°
H1	C	C1	H4	179.7°	179.9°
H2	C	C1	H3	179.7°	180.0°
H2	C	C1	H4	60.3°	60.0°
H7	C5	C6	H9	177.8°	179.2°
H8	C5	C6	H9	58.1°	59.2°
H9	C6	C7	H10	179.7°	177.8°
H9	C6	C7	H11	60.6°	57.7°
H10	C7	C8	H12	57.1°	57.7°
H10	C7	C8	H13	176.3°	177.8°
H11	C7	C8	H12	62.6°	62.4°
H11	C7	C8	H13	56.7°	57.6°
H12	C8	C9	H14	71.4°	60.8°
H13	C8	C9	H14	47.8°	59.3°
H14	C9	C10	H15	61.7°	179.9°
H14	C9	C10	H16	178.3°	60.1°
H14	C9	C10	H17	58.3°	59.9°
H15	C10	H16	H17	120.0°	120.0°
H18	C14	C15	H19	0.0°	0.1°
H19	C15	C16	H20	0.0°	0.0°
H23	C20	H24	H25	120.0°	120.0°

Release date:	2026-05-20
Definition date:	2026-01-26
Last modified:	2026-05-15
Release status:	REL
Processing site:	RCSB
Derived from:	10KT