JHO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	C24	sing	1.53Å	1.52Å
C24	C5	sing	1.51Å	1.52Å
N4	C5	doub	1.31Å	1.33Å	Aromatic
N4	N3	sing	1.29Å	1.38Å	Aromatic
C5	N1	sing	1.35Å	1.33Å	Aromatic
N3	C2	doub	1.32Å	1.32Å	Aromatic
N1	C2	sing	1.37Å	1.36Å	Aromatic
N1	N6	sing	1.40Å	1.49Å	Aromatic
C2	C9	sing	1.41Å	1.54Å	Aromatic
N6	C7	doub	1.31Å	1.44Å	Aromatic
O13	C12	sing	1.43Å	1.41Å
C12	C11	sing	1.53Å	1.53Å
C9	C8	doub	1.36Å	1.45Å	Aromatic
C7	N10	sing	1.39Å	1.43Å
C7	C8	sing	1.41Å	1.46Å	Aromatic
C11	N10	sing	1.47Å	1.45Å
C11	C14	sing	1.53Å	1.52Å
C14	C15	sing	1.51Å	1.53Å
C20	C21	doub	1.37Å	1.50Å	Aromatic
C20	C16	sing	1.40Å	1.57Å	Aromatic
C15	C16	sing	1.47Å	1.36Å	Aromatic
C15	C19	doub	1.34Å	1.39Å	Aromatic
C21	C22	sing	1.39Å	1.48Å	Aromatic
C16	C17	doub	1.41Å	1.39Å	Aromatic
C19	N18	sing	1.37Å	1.38Å	Aromatic
C22	C23	doub	1.38Å	1.50Å	Aromatic
C17	N18	sing	1.38Å	1.37Å	Aromatic
C17	C23	sing	1.39Å	1.56Å	Aromatic
C8	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C19	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
C24	H13	sing	1.09Å	1.10Å
C24	H14	sing	1.09Å	1.10Å
C25	H15	sing	1.09Å	1.10Å
C25	H16	sing	1.09Å	1.10Å
C25	H17	sing	1.09Å	1.10Å
N10	H18	sing	0.97Å	1.00Å
N18	H19	sing	0.97Å	1.00Å
O13	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	C24	C5	107.6°	109.4°
C25	C24	H13	109.9°	109.5°
C25	C24	H14	109.9°	109.5°
C24	C25	H15	109.5°	109.5°
C24	C25	H16	109.5°	109.5°
C24	C25	H17	109.5°	109.5°
C24	C5	N4	128.0°	126.1°
C24	C5	N1	124.2°	126.2°
C5	C24	H13	109.9°	109.5°
C5	C24	H14	109.9°	109.5°
C5	N4	N3	107.5°	110.2°
N4	C5	N1	107.7°	107.7°
N4	N3	C2	108.8°	109.3°
C5	N1	C2	109.7°	106.1°
C5	N1	N6	128.4°	133.9°
N3	C2	N1	106.3°	106.8°
N3	C2	C9	132.4°	133.8°
C2	N1	N6	121.9°	120.1°
N1	C2	C9	121.4°	119.4°
N1	N6	C7	117.0°	120.5°
C2	C9	C8	117.2°	119.1°
C2	C9	H2	121.4°	120.4°
N6	C7	N10	115.0°	119.6°
N6	C7	C8	123.1°	120.8°
O13	C12	C11	110.0°	109.5°
O13	C12	H4	109.4°	109.5°
O13	C12	H5	109.3°	109.5°
C12	O13	H20	109.5°	114.0°
C12	C11	N10	110.5°	109.5°
C12	C11	C14	109.9°	109.5°
C12	C11	H3	109.7°	109.4°
C11	C12	H4	109.3°	109.5°
C11	C12	H5	109.4°	109.5°
C9	C8	C7	119.4°	120.1°
C9	C8	H1	120.3°	120.0°
C8	C9	H2	121.4°	120.5°
N10	C7	C8	121.9°	119.6°
C7	N10	C11	118.2°	120.0°
C7	N10	H18	107.3°	120.0°
C7	C8	H1	120.3°	119.9°
N10	C11	C14	106.1°	109.4°
N10	C11	H3	110.8°	109.5°
C11	N10	H18	107.2°	120.0°
C11	C14	C15	108.6°	109.5°
C14	C11	H3	109.8°	109.5°
C11	C14	H6	109.7°	109.5°
C11	C14	H7	109.7°	109.4°
C14	C15	C16	125.4°	126.5°
C14	C15	C19	126.4°	126.5°
C15	C14	H6	109.7°	109.5°
C15	C14	H7	109.7°	109.5°
C21	C20	C16	118.8°	119.8°
C20	C21	C22	119.8°	120.5°
C21	C20	H9	120.6°	120.1°
C20	C21	H10	120.1°	119.8°
C20	C16	C15	131.1°	134.0°
C20	C16	C17	121.3°	120.0°
C16	C20	H9	120.6°	120.1°
C16	C15	C19	108.2°	107.0°
C15	C16	C17	107.7°	106.0°
C15	C19	N18	108.0°	110.0°
C15	C19	H8	126.0°	125.0°
C21	C22	C23	121.0°	120.6°
C22	C21	H10	120.1°	119.7°
C21	C22	H11	119.5°	119.7°
C16	C17	N18	108.5°	107.2°
C16	C17	C23	120.2°	119.3°
C19	N18	C17	107.6°	109.9°
N18	C19	H8	126.0°	125.0°
C19	N18	H19	126.2°	125.1°
C22	C23	C17	118.9°	119.8°
C23	C22	H11	119.5°	119.7°
C22	C23	H12	120.6°	120.1°
N18	C17	C23	131.2°	133.6°
C17	N18	H19	126.2°	125.0°
C17	C23	H12	120.5°	120.0°
H4	C12	H5	109.4°	109.5°
H6	C14	H7	109.5°	109.5°
H13	C24	H14	109.5°	109.5°
H15	C25	H16	109.5°	109.5°
H15	C25	H17	109.4°	109.4°
H16	C25	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	C24	C5	H13	119.7°	120.0°
C25	C24	C5	H14	119.7°	120.0°
C25	C24	C5	N4	7.8°	89.9°
C25	C24	C5	N1	170.0°	90.0°
C25	C24	H13	H14	120.8°	120.0°
C24	C25	H15	H16	120.0°	120.0°
C24	C25	H15	H17	120.0°	120.0°
C24	C25	H16	H17	120.0°	120.0°
C24	C5	N4	N1	178.1°	179.9°
C24	C5	N4	N3	179.7°	179.9°
C24	C5	N1	C2	179.2°	180.0°
C24	C5	N1	N6	0.5°	0.0°
C5	C24	H13	H14	120.9°	120.0°
C5	C24	C25	H15	180.0°	60.0°
C5	C24	C25	H16	60.0°	60.0°
C5	C24	C25	H17	60.0°	180.0°
C5	N4	N3	C2	1.7°	0.2°
N4	C5	N1	C2	1.0°	0.1°
N4	C5	N1	N6	178.7°	179.9°
N4	C5	C24	H13	111.9°	30.1°
N4	C5	C24	H14	127.5°	150.1°
N3	N4	C5	N1	1.6°	0.1°
N4	N3	C2	N1	1.1°	0.2°
N4	N3	C2	C9	179.2°	180.0°
C5	N1	C2	N3	0.1°	0.2°
C5	N1	C2	N6	179.7°	180.0°
C5	N1	C2	C9	179.8°	180.0°
C5	N1	N6	C7	180.0°	180.0°
N1	C5	C24	H13	70.3°	150.0°
N1	C5	C24	H14	50.3°	30.0°
N3	C2	N1	C9	179.7°	179.8°
N3	C2	N1	N6	179.8°	179.8°
N3	C2	C9	C8	179.8°	179.8°
N3	C2	C9	H2	0.2°	0.3°
C2	N1	N6	C7	0.4°	0.0°
N1	C2	C9	C8	0.5°	0.0°
N1	C2	C9	H2	179.5°	179.9°
N6	N1	C2	C9	0.5°	0.0°
N1	N6	C7	N10	179.3°	180.0°
N1	N6	C7	C8	0.2°	0.1°
C2	C9	C8	H2	180.0°	179.9°
C2	C9	C8	C7	0.3°	0.1°
C2	C9	C8	H1	179.7°	180.0°
N6	C7	C8	C9	0.2°	0.1°
N6	C7	N10	C8	179.1°	179.9°
N6	C7	N10	C11	24.0°	0.1°
N6	C7	C8	H1	179.8°	180.0°
N6	C7	N10	H18	145.2°	180.0°
O13	C12	C11	H4	120.1°	120.0°
O13	C12	C11	H5	120.1°	120.0°
O13	C12	C11	N10	178.2°	65.0°
O13	C12	C11	C14	65.1°	55.0°
O13	C12	C11	H3	55.7°	175.0°
O13	C12	H4	H5	119.8°	120.0°
C12	C11	N10	C7	95.7°	85.0°
C12	C11	N10	C14	119.1°	120.0°
C12	C11	N10	H3	121.8°	120.0°
C12	C11	C14	H3	120.7°	119.9°
C12	C11	C14	C15	174.7°	175.0°
C11	C12	H4	H5	119.8°	120.0°
C12	C11	C14	H6	65.4°	65.0°
C12	C11	C14	H7	54.9°	55.0°
C12	C11	N10	H18	143.0°	95.0°
C11	C12	O13	H20	180.0°	180.0°
C9	C8	C7	N10	179.3°	180.0°
C9	C8	C7	H1	180.0°	179.9°
C7	N10	C11	H18	121.3°	180.0°
C7	N10	C11	C14	145.1°	155.0°
N10	C7	C8	H1	0.7°	0.1°
C7	N10	C11	H3	26.1°	35.0°
C8	C7	N10	C11	155.2°	180.0°
C7	C8	C9	H2	179.7°	180.0°
C8	C7	N10	H18	33.9°	0.0°
N10	C11	C14	H3	119.7°	120.0°
N10	C11	C14	C15	65.7°	65.0°
N10	C11	C12	H4	58.1°	55.0°
N10	C11	C12	H5	61.7°	175.0°
N10	C11	C14	H6	54.1°	55.0°
N10	C11	C14	H7	174.4°	175.0°
C11	C14	C15	H6	119.8°	120.0°
C11	C14	C15	H7	119.9°	119.9°
C11	C14	C15	C16	69.3°	85.0°
C11	C14	C15	C19	111.2°	95.3°
C14	C11	C12	H4	174.8°	175.0°
C14	C11	C12	H5	55.0°	65.0°
C11	C14	H6	H7	120.4°	120.0°
C14	C11	N10	H18	23.9°	25.0°
C14	C15	C16	C20	0.2°	0.0°
C14	C15	C16	C19	179.5°	179.8°
C14	C15	C16	C17	179.8°	180.0°
C14	C15	C19	N18	179.4°	179.9°
C15	C14	C11	H3	54.0°	55.0°
C15	C14	H6	H7	120.4°	120.0°
C14	C15	C19	H8	0.6°	0.0°
C21	C20	C16	H9	180.0°	180.0°
C21	C20	C16	C15	179.7°	180.0°
C20	C21	C22	H10	180.0°	179.9°
C21	C20	C16	C17	0.3°	0.1°
C20	C21	C22	C23	0.1°	0.0°
C20	C21	C22	H11	179.9°	179.9°
C20	C16	C15	C17	180.0°	180.0°
C20	C16	C15	C19	179.7°	179.8°
C16	C20	C21	C22	0.1°	0.0°
C20	C16	C17	N18	179.4°	180.0°
C20	C16	C17	C23	0.3°	0.0°
C16	C20	C21	H10	179.9°	179.9°
C16	C15	C19	N18	0.2°	0.4°
C15	C16	C17	N18	0.6°	0.1°
C15	C16	C17	C23	179.7°	180.0°
C16	C15	C14	H6	170.8°	35.0°
C16	C15	C14	H7	50.5°	155.1°
C16	C15	C19	H8	179.9°	179.7°
C15	C16	C20	H9	0.3°	0.0°
C19	C15	C16	C17	0.3°	0.3°
C15	C19	N18	H8	180.0°	179.9°
C15	C19	N18	C17	0.5°	0.3°
C19	C15	C14	H6	8.6°	144.7°
C19	C15	C14	H7	128.9°	24.7°
C15	C19	N18	H19	179.5°	179.8°
C21	C22	C23	H11	180.0°	179.9°
C21	C22	C23	C17	0.2°	0.1°
C22	C21	C20	H9	179.9°	180.0°
C21	C22	C23	H12	179.9°	180.0°
C16	C17	N18	C19	0.7°	0.1°
C16	C17	C23	C22	0.0°	0.1°
C16	C17	N18	C23	179.0°	179.9°
C17	C16	C20	H9	179.7°	180.0°
C16	C17	C23	H12	179.9°	179.9°
C16	C17	N18	H19	179.3°	180.0°
C19	N18	C17	H19	180.0°	179.9°
C19	N18	C17	C23	179.7°	179.8°
C22	C23	C17	N18	178.9°	179.9°
C22	C23	C17	H12	180.0°	179.9°
C23	C22	C21	H10	179.9°	179.8°
C17	N18	C19	H8	179.5°	179.8°
N18	C17	C23	H12	1.1°	0.0°
C17	C23	C22	H11	179.8°	180.0°
C23	C17	N18	H19	0.3°	0.1°
H1	C8	C9	H2	0.3°	0.1°
H3	C11	C12	H4	64.4°	65.0°
H3	C11	C12	H5	175.8°	55.0°
H3	C11	C14	H6	173.9°	175.1°
H3	C11	C14	H7	65.8°	64.9°
H3	C11	N10	H18	95.2°	145.0°
H4	C12	O13	H20	59.9°	60.0°
H5	C12	O13	H20	59.9°	60.0°
H8	C19	N18	H19	0.5°	0.1°
H9	C20	C21	H10	0.1°	0.1°
H10	C21	C22	H11	0.1°	0.1°
H11	C22	C23	H12	0.1°	0.1°
H13	C24	C25	H15	60.3°	NaN°
H13	C24	C25	H16	59.7°	60.0°
H13	C24	C25	H17	179.7°	60.0°
H14	C24	C25	H15	60.3°	60.0°
H14	C24	C25	H16	179.7°	180.0°
H14	C24	C25	H17	59.7°	59.9°
H15	C25	H16	H17	120.0°	120.0°

Release date:	2023-01-18
Definition date:	2022-08-11
Last modified:	2023-01-13
Release status:	REL
Processing site:	PDBJ
Derived from:	7YMG