JH8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C26	N24	sing	1.46Å	1.46Å
N24	C27	sing	1.47Å	1.46Å
N24	C23	sing	1.35Å	1.35Å
C22	C23	sing	1.51Å	1.53Å
C22	N19	sing	1.46Å	1.45Å
C23	O25	doub	1.21Å	1.22Å
N19	C18	sing	1.35Å	1.34Å	Aromatic
N19	N20	sing	1.40Å	1.36Å	Aromatic
C18	C17	doub	1.37Å	1.38Å	Aromatic
N20	C21	doub	1.31Å	1.32Å	Aromatic
C17	C21	sing	1.41Å	1.41Å	Aromatic
C17	C14	sing	1.48Å	1.49Å
C15	C14	doub	1.39Å	1.40Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.39Å	1.40Å	Aromatic
C16	C11	doub	1.40Å	1.40Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.40Å	1.40Å	Aromatic
C11	C2	sing	1.48Å	1.49Å
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	N6	sing	1.32Å	1.34Å	Aromatic
C2	C3	sing	1.42Å	1.43Å	Aromatic
N6	C5	doub	1.31Å	1.33Å	Aromatic
C3	C7	sing	1.40Å	1.43Å	Aromatic
C3	C4	doub	1.42Å	1.43Å	Aromatic
C5	C4	sing	1.40Å	1.42Å	Aromatic
C7	C10	doub	1.36Å	1.37Å	Aromatic
C4	C8	sing	1.40Å	1.42Å	Aromatic
C10	C9	sing	1.39Å	1.39Å	Aromatic
C8	C9	doub	1.36Å	1.37Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.08Å	1.08Å
C22	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C26	H10	sing	1.09Å	1.10Å
C26	H11	sing	1.09Å	1.10Å
C26	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C18	H16	sing	1.08Å	1.08Å
C27	H17	sing	1.09Å	1.10Å
C27	H18	sing	1.09Å	1.10Å
C27	H19	sing	1.09Å	1.10Å
C9	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C26	N24	C27	114.3°	120.0°
C26	N24	C23	123.8°	120.0°
N24	C26	H10	109.5°	109.4°
N24	C26	H11	109.5°	109.5°
N24	C26	H12	109.5°	109.4°
C27	N24	C23	121.9°	120.0°
N24	C27	H17	109.5°	109.4°
N24	C27	H18	109.5°	109.5°
N24	C27	H19	109.5°	109.4°
N24	C23	C22	118.0°	120.0°
N24	C23	O25	121.9°	120.0°
C23	C22	N19	111.4°	109.4°
C22	C23	O25	120.2°	120.0°
C23	C22	H8	109.0°	109.5°
C23	C22	H9	109.0°	109.5°
C22	N19	C18	127.1°	125.9°
C22	N19	N20	120.4°	125.9°
N19	C22	H8	109.0°	109.5°
N19	C22	H9	109.0°	109.5°
C18	N19	N20	112.4°	108.2°
N19	C18	C17	106.9°	107.6°
N19	C18	H16	126.6°	126.2°
N19	N20	C21	104.4°	108.5°
C18	C17	C21	104.2°	107.5°
C18	C17	C14	128.4°	126.2°
C17	C18	H16	126.5°	126.2°
N20	C21	C17	112.1°	108.1°
N20	C21	H7	123.9°	125.9°
C21	C17	C14	127.4°	126.2°
C17	C21	H7	124.0°	126.0°
C17	C14	C15	121.0°	120.0°
C17	C14	C13	120.7°	120.0°
C14	C15	C16	120.7°	120.0°
C15	C14	C13	118.3°	120.0°
C14	C15	H6	119.6°	120.0°
C15	C16	C11	121.1°	119.9°
C16	C15	H6	119.6°	120.0°
C15	C16	H15	119.5°	120.1°
C14	C13	C12	120.7°	120.0°
C14	C13	H5	119.6°	120.0°
C16	C11	C12	117.9°	120.0°
C16	C11	C2	121.5°	120.0°
C11	C16	H15	119.5°	120.0°
C13	C12	C11	121.3°	120.0°
C12	C13	H5	119.6°	120.0°
C13	C12	H14	119.3°	120.0°
C12	C11	C2	120.6°	120.0°
C11	C12	H14	119.4°	120.0°
C11	C2	C1	119.8°	120.8°
C11	C2	C3	122.2°	120.9°
C2	C1	N6	124.8°	121.5°
C1	C2	C3	117.6°	118.3°
C2	C1	H13	117.6°	119.2°
C1	N6	C5	117.7°	123.0°
N6	C1	H13	117.6°	119.3°
C2	C3	C7	123.9°	122.1°
C2	C3	C4	118.3°	118.2°
N6	C5	C4	124.1°	120.3°
N6	C5	H1	118.0°	119.9°
C7	C3	C4	117.8°	119.7°
C3	C7	C10	121.1°	119.4°
C3	C7	H2	119.5°	120.2°
C3	C4	C5	117.3°	118.8°
C3	C4	C8	119.2°	119.3°
C5	C4	C8	123.3°	122.0°
C4	C5	H1	117.9°	119.8°
C7	C10	C9	120.6°	121.0°
C10	C7	H2	119.5°	120.3°
C7	C10	H4	119.7°	119.4°
C4	C8	C9	120.7°	119.5°
C4	C8	H3	119.6°	120.2°
C10	C9	C8	120.6°	121.0°
C9	C10	H4	119.7°	119.5°
C10	C9	H20	119.7°	119.5°
C9	C8	H3	119.7°	120.2°
C8	C9	H20	119.7°	119.5°
H8	C22	H9	109.4°	109.5°
H10	C26	H11	109.5°	109.5°
H10	C26	H12	109.5°	109.5°
H11	C26	H12	109.4°	109.5°
H17	C27	H18	109.4°	109.5°
H17	C27	H19	109.4°	109.5°
H18	C27	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C26	N24	C27	C23	179.9°	180.0°
C26	N24	C23	C22	0.1°	180.0°
C26	N24	C23	O25	179.9°	0.0°
N24	C26	H10	H11	120.0°	120.0°
N24	C26	H10	H12	120.0°	119.9°
N24	C26	H11	H12	120.0°	120.0°
C26	N24	C27	H17	180.0°	89.9°
C26	N24	C27	H18	60.0°	150.0°
C26	N24	C27	H19	60.0°	30.0°
C27	N24	C23	C22	179.9°	0.0°
C27	N24	C23	O25	0.0°	180.0°
C27	N24	C26	H10	180.0°	90.0°
C27	N24	C26	H11	60.0°	150.0°
C27	N24	C26	H12	60.0°	29.9°
N24	C27	H17	H18	120.0°	120.0°
N24	C27	H17	H19	120.0°	119.9°
N24	C27	H18	H19	120.0°	119.9°
N24	C23	C22	O25	179.9°	180.0°
N24	C23	C22	N19	152.8°	180.0°
N24	C23	C22	H8	32.5°	60.0°
N24	C23	C22	H9	86.9°	60.0°
C23	N24	C26	H10	0.1°	90.0°
C23	N24	C26	H11	120.0°	30.0°
C23	N24	C26	H12	120.1°	150.0°
C23	N24	C27	H17	0.1°	90.1°
C23	N24	C27	H18	120.0°	30.0°
C23	N24	C27	H19	119.9°	150.0°
C23	C22	N19	H8	120.3°	120.0°
C23	C22	N19	H9	120.3°	120.0°
C23	C22	N19	C18	93.2°	125.0°
C23	C22	N19	N20	86.3°	55.3°
C23	C22	H8	H9	119.1°	120.0°
N19	C22	C23	O25	27.1°	0.0°
C22	N19	C18	N20	179.5°	179.7°
C22	N19	C18	C17	178.9°	180.0°
C22	N19	N20	C21	179.4°	179.9°
N19	C22	H8	H9	119.1°	120.1°
C22	N19	C18	H16	1.2°	0.0°
O25	C23	C22	H8	147.4°	120.0°
O25	C23	C22	H9	93.3°	120.0°
N19	C18	C17	H16	180.0°	180.0°
C18	N19	N20	C21	0.2°	0.4°
N19	C18	C17	C21	0.8°	0.1°
N19	C18	C17	C14	179.1°	179.8°
C18	N19	C22	H8	146.5°	5.0°
C18	N19	C22	H9	27.2°	115.0°
N20	N19	C18	C17	0.6°	0.2°
N19	N20	C21	C17	0.4°	0.3°
N19	N20	C21	H7	179.6°	179.5°
N20	N19	C22	H8	34.0°	175.3°
N20	N19	C22	H9	153.4°	64.7°
N20	N19	C18	H16	179.4°	179.7°
C18	C17	C21	N20	0.7°	0.2°
C18	C17	C21	C14	178.4°	179.8°
C18	C17	C14	C15	9.8°	179.7°
C18	C17	C14	C13	169.7°	0.2°
C18	C17	C21	H7	179.3°	179.7°
N20	C21	C17	H7	180.0°	179.8°
N20	C21	C17	C14	179.1°	180.0°
C21	C17	C14	C15	172.3°	0.1°
C21	C17	C14	C13	8.3°	180.0°
C21	C17	C18	H16	179.2°	179.9°
C17	C14	C15	C13	179.4°	180.0°
C17	C14	C15	C16	179.3°	180.0°
C17	C14	C13	C12	178.9°	180.0°
C17	C14	C13	H5	1.1°	0.3°
C17	C14	C15	H6	0.7°	0.1°
C14	C17	C21	H7	0.9°	0.2°
C14	C17	C18	H16	0.9°	0.2°
C14	C15	C16	H6	180.0°	179.9°
C14	C15	C16	C11	0.1°	0.3°
C15	C14	C13	C12	0.5°	0.0°
C15	C14	C13	H5	179.5°	179.7°
C14	C15	C16	H15	179.9°	180.0°
C16	C15	C14	C13	0.1°	0.0°
C15	C16	C11	H15	180.0°	179.7°
C15	C16	C11	C12	0.5°	0.6°
C15	C16	C11	C2	179.2°	180.0°
C14	C13	C12	H5	180.0°	179.7°
C14	C13	C12	C11	0.9°	0.3°
C13	C14	C15	H6	179.9°	180.0°
C14	C13	C12	H14	179.1°	179.7°
C16	C11	C12	C13	0.9°	0.6°
C16	C11	C12	C2	179.6°	179.4°
C16	C11	C2	C1	83.9°	130.5°
C16	C11	C2	C3	103.9°	49.7°
C11	C16	C15	H6	179.9°	179.8°
C16	C11	C12	H14	179.2°	179.4°
C13	C12	C11	H14	180.0°	180.0°
C13	C12	C11	C2	178.8°	180.0°
C12	C11	C2	C1	96.5°	50.1°
C12	C11	C2	C3	75.7°	129.8°
C11	C12	C13	H5	179.1°	180.0°
C12	C11	C16	H15	179.5°	179.7°
C11	C2	C1	C3	172.6°	179.8°
C11	C2	C1	N6	176.2°	180.0°
C11	C2	C3	C7	5.8°	0.2°
C11	C2	C3	C4	175.7°	179.8°
C11	C2	C1	H13	3.8°	0.2°
C2	C11	C12	H14	1.2°	0.0°
C2	C11	C16	H15	0.9°	0.3°
C2	C1	N6	H13	180.0°	179.8°
C2	C1	N6	C5	3.6°	0.2°
C1	C2	C3	C7	178.1°	180.0°
C1	C2	C3	C4	3.3°	0.0°
N6	C1	C2	C3	3.7°	0.2°
C1	N6	C5	C4	3.4°	0.1°
C1	N6	C5	H1	176.6°	180.0°
C2	C3	C7	C4	178.6°	180.0°
C2	C3	C4	C5	3.1°	0.3°
C2	C3	C7	C10	178.1°	179.5°
C2	C3	C4	C8	180.0°	180.0°
C2	C3	C7	H2	1.9°	0.2°
C3	C2	C1	H13	176.3°	180.0°
N6	C5	C4	C3	3.3°	0.3°
N6	C5	C4	H1	180.0°	179.9°
N6	C5	C4	C8	180.0°	180.0°
C5	N6	C1	H13	176.4°	180.0°
C7	C3	C4	C5	178.2°	179.7°
C3	C7	C10	H2	180.0°	179.3°
C7	C3	C4	C8	1.4°	0.0°
C3	C7	C10	C9	1.5°	0.7°
C3	C7	C10	H4	178.4°	179.2°
C3	C4	C5	C8	176.7°	179.7°
C4	C3	C7	C10	0.4°	0.5°
C3	C4	C8	C9	2.1°	0.2°
C3	C4	C5	H1	176.7°	179.8°
C4	C3	C7	H2	179.6°	179.8°
C3	C4	C8	H3	177.9°	179.7°
C5	C4	C8	C9	178.8°	180.0°
C5	C4	C8	H3	1.2°	0.0°
C7	C10	C9	H4	180.0°	180.0°
C7	C10	C9	C8	0.8°	0.5°
C7	C10	C9	H20	179.2°	179.5°
C4	C8	C9	C10	1.1°	0.0°
C4	C8	C9	H3	180.0°	180.0°
C8	C4	C5	H1	0.0°	0.1°
C4	C8	C9	H20	179.0°	180.0°
C10	C9	C8	H20	180.0°	180.0°
C9	C10	C7	H2	178.5°	180.0°
C10	C9	C8	H3	178.9°	179.9°
C8	C9	C10	H4	179.2°	179.5°
H2	C7	C10	H4	1.5°	0.1°
H3	C8	C9	H20	1.1°	0.0°
H4	C10	C9	H20	0.8°	0.5°
H5	C13	C12	H14	0.9°	0.1°
H6	C15	C16	H15	0.1°	0.1°
H10	C26	H11	H12	120.0°	120.0°
H17	C27	H18	H19	120.0°	120.0°

Release date:	2020-03-18
Definition date:	2019-02-25
Last modified:	2020-03-13
Release status:	REL
Processing site:	EBI
Derived from:	6QTG