RBU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.38Å	Aromatic
C1	N1	sing	1.32Å	1.36Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	C3	sing	1.39Å	1.39Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.39Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	N1	doub	1.33Å	1.39Å	Aromatic
C5	C6	sing	1.48Å	1.41Å
RU	N1	sing	1.93Å	2.06Å
RU	N3	sing	1.93Å	2.05Å
RU	N5	sing	1.93Å	2.11Å
N2	C6	doub	1.33Å	1.38Å	Aromatic
N2	C10	sing	1.32Å	1.36Å	Aromatic
N3	C11	sing	1.32Å	1.36Å	Aromatic
N3	C15	doub	1.33Å	1.37Å	Aromatic
N4	C16	doub	1.33Å	1.37Å	Aromatic
N4	C20	sing	1.32Å	1.37Å	Aromatic
N5	C21	doub	1.30Å	1.32Å	Aromatic
N5	C23	sing	1.34Å	1.38Å	Aromatic
N6	C21	sing	1.35Å	1.34Å	Aromatic
N6	C22	sing	1.37Å	1.34Å	Aromatic
N6	HN6	sing	0.97Å	1.00Å
C6	C7	sing	1.39Å	1.40Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.39Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C12	C13	sing	1.39Å	1.38Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C15	sing	1.39Å	1.39Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	C16	sing	1.48Å	1.40Å
C16	C17	sing	1.39Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	C19	sing	1.39Å	1.38Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C19	C20	doub	1.38Å	1.39Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	C23	doub	1.35Å	1.37Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N1	120.1°	120.9°
C2	C1	H1	119.9°	119.5°
C1	C2	C3	119.4°	119.3°
C1	C2	H2	120.3°	120.3°
N1	C1	H1	120.0°	119.6°
C1	N1	C5	120.6°	121.6°
C1	N1	RU	125.7°	119.2°
C3	C2	H2	120.3°	120.3°
C2	C3	C4	120.8°	118.5°
C2	C3	H3	119.6°	120.7°
C4	C3	H3	119.6°	120.8°
C3	C4	C5	118.8°	119.0°
C3	C4	H4	120.6°	120.5°
C5	C4	H4	120.6°	120.5°
C4	C5	N1	120.3°	120.6°
C4	C5	C6	122.5°	119.7°
N1	C5	C6	117.2°	119.7°
C5	N1	RU	113.7°	119.2°
C5	C6	N2	116.4°	119.7°
C5	C6	C7	123.0°	119.7°
N1	RU	N3	92.7°	109.5°
N1	RU	N5	80.8°	109.5°
N3	RU	N5	173.4°	109.5°
RU	N3	C11	125.5°	119.2°
RU	N3	C15	113.7°	119.2°
RU	N5	C21	128.5°	125.4°
RU	N5	C23	127.3°	125.4°
C6	N2	C10	120.5°	121.6°
N2	C6	C7	120.5°	120.6°
N2	C10	C9	120.1°	120.9°
N2	C10	H10	120.0°	119.6°
C11	N3	C15	120.8°	121.6°
N3	C11	C12	120.0°	121.0°
N3	C11	H11	120.0°	119.5°
N3	C15	C14	120.4°	120.5°
N3	C15	C16	117.0°	119.7°
C16	N4	C20	120.5°	121.7°
N4	C16	C15	116.7°	119.8°
N4	C16	C17	120.3°	120.5°
N4	C20	C19	120.4°	120.8°
N4	C20	H20	119.8°	119.6°
C21	N5	C23	104.2°	109.3°
N5	C21	N6	112.7°	108.7°
N5	C21	H21	123.7°	125.6°
N5	C23	C22	109.5°	108.0°
N5	C23	H23	125.3°	126.1°
C21	N6	C22	107.0°	107.2°
C21	N6	HN6	126.5°	126.4°
N6	C21	H21	123.6°	125.6°
C22	N6	HN6	126.5°	126.4°
N6	C22	C23	106.7°	106.8°
N6	C22	H22	126.7°	126.6°
C6	C7	C8	118.8°	119.1°
C6	C7	H7	120.6°	120.5°
C8	C7	H7	120.6°	120.5°
C7	C8	C9	120.2°	118.5°
C7	C8	H8	119.9°	120.8°
C9	C8	H8	119.9°	120.7°
C8	C9	C10	119.9°	119.4°
C8	C9	H9	120.1°	120.3°
C10	C9	H9	120.1°	120.3°
C9	C10	H10	120.0°	119.6°
C12	C11	H11	120.0°	119.5°
C11	C12	C13	119.7°	119.3°
C11	C12	H12	120.1°	120.3°
C13	C12	H12	120.1°	120.3°
C12	C13	C14	120.3°	118.5°
C12	C13	H13	119.9°	120.7°
C14	C13	H13	119.8°	120.8°
C13	C14	C15	118.9°	119.1°
C13	C14	H14	120.5°	120.5°
C15	C14	H14	120.6°	120.4°
C14	C15	C16	122.6°	119.8°
C15	C16	C17	123.0°	119.7°
C16	C17	C18	119.2°	119.1°
C16	C17	H17	120.4°	120.4°
C18	C17	H17	120.4°	120.5°
C17	C18	C19	120.3°	118.5°
C17	C18	H18	119.8°	120.8°
C19	C18	H18	119.8°	120.7°
C18	C19	C20	119.2°	119.4°
C18	C19	H19	120.4°	120.3°
C20	C19	H19	120.4°	120.3°
C19	C20	H20	119.8°	119.6°
C23	C22	H22	126.7°	126.6°
C22	C23	H23	125.3°	126.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N1	H1	180.0°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.0°
C1	C2	C3	H3	179.7°	180.0°
C2	C1	N1	C5	0.6°	0.3°
C2	C1	N1	RU	179.7°	180.0°
N1	C1	C2	C3	0.3°	0.0°
N1	C1	C2	H2	179.7°	180.0°
C1	N1	C5	C4	0.8°	0.5°
C1	N1	C5	RU	179.2°	179.7°
C1	N1	C5	C6	179.8°	180.0°
C1	N1	RU	N3	88.0°	27.6°
C1	N1	RU	N5	93.5°	92.3°
H1	C1	C2	C3	179.7°	180.0°
H1	C1	C2	H2	0.3°	0.0°
H1	C1	N1	C5	179.4°	179.7°
H1	C1	N1	RU	0.3°	0.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.5°	0.3°
C2	C3	C4	H4	179.5°	180.0°
H2	C2	C3	C4	179.7°	180.0°
H2	C2	C3	H3	0.3°	0.0°
C3	C4	C5	H4	180.0°	179.7°
C3	C4	C5	N1	0.7°	0.5°
C3	C4	C5	C6	179.8°	180.0°
H3	C3	C4	C5	179.5°	179.7°
H3	C3	C4	H4	0.5°	0.0°
C4	C5	N1	C6	179.5°	179.5°
C4	C5	N1	RU	180.0°	179.7°
C4	C5	C6	N2	179.7°	152.1°
C4	C5	C6	C7	0.9°	27.6°
H4	C4	C5	N1	179.2°	179.7°
H4	C4	C5	C6	0.2°	0.3°
C5	N1	RU	N3	91.2°	152.6°
C5	N1	RU	N5	87.3°	87.4°
N1	C5	C6	N2	0.8°	28.5°
N1	C5	C6	C7	179.6°	151.8°
C6	C5	N1	RU	0.6°	0.2°
C5	C6	N2	C7	178.8°	179.7°
C5	C6	N2	C10	180.0°	179.8°
C5	C6	C7	C8	179.7°	180.0°
C5	C6	C7	H7	0.3°	0.1°
N1	RU	N3	N5	13.1°	120.0°
N1	RU	N3	C11	86.5°	43.3°
N1	RU	N3	C15	92.7°	136.4°
N1	RU	N5	C21	53.3°	30.3°
N1	RU	N5	C23	126.9°	150.0°
RU	N3	C11	C15	179.2°	179.7°
N3	RU	N5	C21	66.6°	89.7°
N3	RU	N5	C23	113.6°	90.0°
RU	N3	C11	C12	179.2°	179.9°
RU	N3	C11	H11	0.8°	0.1°
RU	N3	C15	C14	179.3°	179.7°
RU	N3	C15	C16	0.1°	0.3°
N5	RU	N3	C11	73.4°	76.7°
N5	RU	N3	C15	105.8°	103.6°
RU	N5	C21	C23	179.8°	179.8°
RU	N5	C21	N6	179.7°	179.8°
RU	N5	C21	H21	0.2°	0.2°
RU	N5	C23	C22	179.8°	180.0°
RU	N5	C23	H23	0.2°	0.0°
N2	C6	C7	C8	1.0°	0.3°
N2	C6	C7	H7	179.1°	179.7°
C6	N2	C10	C9	0.9°	0.5°
C6	N2	C10	H10	179.1°	179.7°
C10	N2	C6	C7	1.2°	0.5°
N2	C10	C9	C8	0.5°	0.2°
N2	C10	C9	H10	180.0°	179.8°
N2	C10	C9	H9	179.5°	179.8°
N3	C11	C12	H11	180.0°	179.9°
N3	C11	C12	C13	0.2°	0.1°
N3	C11	C12	H12	179.8°	179.9°
C11	N3	C15	C14	0.0°	0.6°
C11	N3	C15	C16	179.2°	179.9°
N3	C15	C16	N4	0.3°	24.7°
C15	N3	C11	C12	0.0°	0.4°
C15	N3	C11	H11	180.0°	179.7°
N3	C15	C14	C13	0.1°	0.5°
N3	C15	C14	C16	179.2°	179.5°
N3	C15	C14	H14	180.0°	179.7°
N3	C15	C16	C17	179.4°	155.1°
N4	C16	C15	C14	179.5°	154.8°
N4	C16	C15	C17	179.7°	179.8°
N4	C16	C17	C18	0.5°	0.2°
N4	C16	C17	H17	179.5°	179.8°
C16	N4	C20	C19	0.2°	0.5°
C16	N4	C20	H20	179.8°	179.7°
C20	N4	C16	C15	179.3°	179.8°
C20	N4	C16	C17	0.5°	0.5°
N4	C20	C19	C18	0.0°	0.3°
N4	C20	C19	H20	180.0°	179.8°
N4	C20	C19	H19	179.9°	179.8°
N5	C21	N6	H21	180.0°	179.6°
N5	C21	N6	C22	0.3°	0.4°
N5	C21	N6	HN6	179.7°	179.9°
C21	N5	C23	C22	0.4°	0.3°
C21	N5	C23	H23	179.7°	179.8°
C23	N5	C21	N6	0.4°	0.4°
N5	C23	C22	N6	0.2°	0.0°
C23	N5	C21	H21	179.6°	180.0°
N5	C23	C22	H23	180.0°	180.0°
N5	C23	C22	H22	179.8°	180.0°
C21	N6	C22	HN6	180.0°	179.7°
C21	N6	C22	C23	0.1°	0.3°
C21	N6	C22	H22	179.9°	179.8°
C22	N6	C21	H21	179.7°	179.9°
N6	C22	C23	H22	180.0°	180.0°
N6	C22	C23	H23	179.8°	179.9°
HN6	N6	C21	H21	0.3°	0.3°
HN6	N6	C22	C23	179.9°	180.0°
HN6	N6	C22	H22	0.1°	0.1°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.5°	0.0°
C6	C7	C8	H8	179.5°	180.0°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	0.3°	0.1°
C7	C8	C9	H9	179.7°	180.0°
H7	C7	C8	C9	179.5°	180.0°
H7	C7	C8	H8	0.5°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	H10	179.5°	180.0°
H8	C8	C9	C10	179.7°	180.0°
H8	C8	C9	H9	0.2°	0.0°
H9	C9	C10	H10	0.5°	0.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.3°	0.0°
C11	C12	C13	H13	179.7°	180.0°
H11	C11	C12	C13	179.9°	180.0°
H11	C11	C12	H12	0.2°	0.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.2°	0.2°
C12	C13	C14	H14	179.8°	180.0°
H12	C12	C13	C14	179.7°	180.0°
H12	C12	C13	H13	0.3°	0.0°
C13	C14	C15	H14	180.0°	179.8°
C13	C14	C15	C16	179.2°	180.0°
H13	C13	C14	C15	179.8°	179.8°
H13	C13	C14	H14	0.2°	0.0°
C14	C15	C16	C17	0.2°	25.4°
H14	C14	C15	C16	0.8°	0.2°
C15	C16	C17	C18	179.2°	180.0°
C15	C16	C17	H17	0.8°	0.0°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	C19	0.3°	0.0°
C16	C17	C18	H18	179.8°	180.0°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	C20	0.0°	0.0°
C17	C18	C19	H19	180.0°	180.0°
H17	C17	C18	C19	179.7°	180.0°
H17	C17	C18	H18	0.2°	0.0°
C18	C19	C20	H19	180.0°	180.0°
C18	C19	C20	H20	179.9°	180.0°
H18	C18	C19	C20	180.0°	180.0°
H18	C18	C19	H19	0.1°	0.0°
H19	C19	C20	H20	0.1°	0.0°
H22	C22	C23	H23	0.2°	0.0°

Definition date:	1999-07-08
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	1BEX