A1DH7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	doub	1.35Å	1.37Å	Aromatic
C18	C	sing	1.41Å	1.33Å	Aromatic
C2	C1	sing	1.41Å	1.40Å	Aromatic
C2	C19	sing	1.47Å	1.42Å
C2	C3	doub	1.39Å	1.38Å	Aromatic
C19	O1	doub	1.22Å	1.23Å
C19	O2	sing	1.35Å	1.25Å
C4	C3	sing	1.39Å	1.36Å	Aromatic
C4	C18	sing	1.48Å	1.36Å	Aromatic
C4	C5	doub	1.40Å	1.34Å	Aromatic
C18	N	doub	1.31Å	1.36Å	Aromatic
N	O	sing	1.21Å	1.32Å	Aromatic
C5	O	sing	1.34Å	1.43Å	Aromatic
C5	C6	sing	1.47Å	1.38Å
C6	C7	doub	1.40Å	1.41Å	Aromatic
C6	C11	sing	1.40Å	1.37Å	Aromatic
C7	C8	sing	1.37Å	1.40Å	Aromatic
C9	C8	doub	1.40Å	1.40Å	Aromatic
C11	C10	doub	1.37Å	1.43Å	Aromatic
C9	C10	sing	1.39Å	1.41Å	Aromatic
C9	C12	sing	1.48Å	1.44Å
C12	C17	sing	1.39Å	1.41Å	Aromatic
C12	C13	doub	1.39Å	1.42Å	Aromatic
C17	C16	doub	1.38Å	1.41Å	Aromatic
C16	C15	sing	1.38Å	1.40Å	Aromatic
C15	C14	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C	H2	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
O2	H4	sing	0.97Å	0.95Å
C17	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C	C18	118.8°	119.8°
C	C1	C2	122.2°	121.8°
C	C1	H1	118.9°	119.1°
C1	C	H2	120.6°	120.1°
C	C18	C4	120.9°	118.6°
C	C18	N	127.2°	136.2°
C18	C	H2	120.6°	120.1°
C1	C2	C19	120.5°	119.4°
C1	C2	C3	117.0°	121.1°
C2	C1	H1	118.9°	119.1°
C19	C2	C3	122.5°	119.4°
C2	C19	O1	121.2°	120.0°
C2	C19	O2	123.1°	120.0°
C2	C3	C4	119.5°	119.2°
C2	C3	H3	120.3°	120.4°
O1	C19	O2	115.6°	120.0°
C19	O2	H4	109.5°	117.0°
C3	C4	C18	121.4°	119.4°
C3	C4	C5	131.5°	137.6°
C4	C3	H3	120.2°	120.4°
C18	C4	C5	106.7°	103.0°
C4	C18	N	111.9°	105.1°
C4	C5	O	105.7°	105.8°
C4	C5	C6	129.9°	127.1°
C18	N	O	105.4°	112.6°
N	O	C5	110.0°	113.5°
O	C5	C6	123.3°	127.1°
C5	C6	C7	118.3°	120.1°
C5	C6	C11	127.7°	120.1°
C7	C6	C11	113.7°	119.9°
C6	C7	C8	126.3°	120.0°
C6	C7	H7	116.9°	120.0°
C6	C11	C10	121.5°	120.0°
C6	C11	H11	119.2°	120.0°
C7	C8	C9	120.2°	120.0°
C8	C7	H7	116.9°	120.0°
C7	C8	H8	119.9°	120.0°
C8	C9	C10	114.7°	120.1°
C8	C9	C12	121.2°	119.9°
C9	C8	H8	119.9°	120.0°
C11	C10	C9	123.6°	120.0°
C11	C10	H10	118.2°	119.9°
C10	C11	H11	119.2°	120.0°
C10	C9	C12	123.7°	119.9°
C9	C10	H10	118.2°	120.0°
C9	C12	C17	122.9°	120.1°
C9	C12	C13	120.3°	120.1°
C17	C12	C13	116.2°	119.7°
C12	C17	C16	120.8°	119.9°
C12	C17	H17	119.6°	120.1°
C12	C13	C14	122.6°	119.9°
C12	C13	H13	118.7°	120.1°
C17	C16	C15	121.5°	120.1°
C17	C16	H16	119.3°	119.9°
C16	C17	H17	119.7°	120.0°
C16	C15	C14	118.4°	120.2°
C16	C15	H15	120.8°	119.8°
C15	C16	H16	119.2°	119.9°
C15	C14	C13	120.3°	120.1°
C15	C14	H14	119.9°	119.9°
C14	C15	H15	120.8°	119.9°
C14	C13	H13	118.7°	120.0°
C13	C14	H14	119.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C	C18	H2	180.0°	179.6°
C	C1	C2	H1	180.0°	179.7°
C	C1	C2	C19	179.4°	179.7°
C	C1	C2	C3	0.1°	0.3°
C1	C	C18	C4	3.5°	0.6°
C1	C	C18	N	179.7°	179.8°
C18	C	C1	C2	0.8°	0.6°
C	C18	C4	C3	5.6°	0.3°
C	C18	C4	N	177.3°	179.7°
C	C18	C4	C5	179.2°	179.7°
C	C18	N	O	177.2°	179.7°
C18	C	C1	H1	179.2°	179.7°
C1	C2	C19	C3	179.5°	180.0°
C1	C2	C19	O1	177.4°	180.0°
C1	C2	C19	O2	1.1°	0.0°
C1	C2	C3	C4	2.1°	0.0°
C1	C2	C3	H3	177.9°	180.0°
C2	C1	C	H2	179.2°	179.7°
C2	C19	O1	O2	178.6°	180.0°
C19	C2	C3	C4	177.5°	180.0°
C19	C2	C1	H1	0.6°	0.0°
C19	C2	C3	H3	2.5°	0.0°
C2	C19	O2	H4	178.6°	180.0°
C3	C2	C19	O1	3.1°	0.0°
C3	C2	C19	O2	178.4°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C18	4.8°	0.0°
C2	C3	C4	C5	176.7°	180.0°
C3	C2	C1	H1	179.9°	180.0°
O1	C19	O2	H4	0.0°	0.0°
C3	C4	C18	C5	173.7°	180.0°
C3	C4	C18	N	177.1°	180.0°
C3	C4	C5	O	177.8°	180.0°
C3	C4	C5	C6	14.2°	0.1°
C4	C18	N	O	0.1°	0.0°
C18	C4	C5	O	5.1°	0.0°
C18	C4	C5	C6	173.1°	180.0°
C18	C4	C3	H3	175.2°	180.0°
C4	C18	C	H2	176.6°	179.7°
C5	C4	C18	N	3.5°	0.0°
C4	C5	O	N	5.3°	0.0°
C4	C5	O	C6	169.0°	180.0°
C4	C5	C6	C7	35.2°	46.3°
C4	C5	C6	C11	152.1°	133.6°
C5	C4	C3	H3	3.3°	0.0°
C18	N	O	C5	3.2°	0.0°
N	C18	C	H2	0.3°	0.1°
N	O	C5	C6	174.3°	180.0°
O	C5	C6	C7	131.0°	133.7°
O	C5	C6	C11	41.7°	46.4°
C5	C6	C7	C11	173.7°	179.9°
C5	C6	C7	C8	175.5°	179.9°
C5	C6	C11	C10	174.6°	179.4°
C5	C6	C7	H7	4.5°	0.3°
C5	C6	C11	H11	5.3°	0.1°
C6	C7	C8	H7	180.0°	179.7°
C6	C7	C8	C9	0.2°	0.3°
C7	C6	C11	C10	1.7°	0.5°
C6	C7	C8	H8	179.8°	179.7°
C7	C6	C11	H11	178.3°	180.0°
C11	C6	C7	C8	1.8°	0.0°
C6	C11	C10	H11	180.0°	179.4°
C6	C11	C10	C9	0.3°	0.8°
C11	C6	C7	H7	178.2°	179.8°
C6	C11	C10	H10	179.7°	179.7°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	2.2°	0.1°
C7	C8	C9	C12	174.8°	180.0°
C8	C9	C10	C11	2.3°	0.5°
C8	C9	C10	C12	172.4°	180.0°
C8	C9	C12	C17	172.4°	179.9°
C8	C9	C12	C13	16.8°	0.6°
C9	C8	C7	H7	179.8°	179.9°
C8	C9	C10	H10	177.7°	180.0°
C11	C10	C9	H10	180.0°	179.5°
C11	C10	C9	C12	174.6°	179.4°
C10	C9	C12	C17	15.7°	0.0°
C10	C9	C12	C13	155.1°	179.5°
C10	C9	C8	H8	177.8°	180.0°
C9	C10	C11	H11	179.8°	179.8°
C9	C12	C17	C13	171.1°	179.5°
C9	C12	C17	C16	175.8°	179.9°
C9	C12	C13	C14	175.4°	180.0°
C12	C9	C8	H8	5.3°	0.0°
C12	C9	C10	H10	5.4°	0.0°
C9	C12	C13	H13	4.7°	0.3°
C9	C12	C17	H17	4.2°	0.0°
C12	C17	C16	H17	180.0°	179.9°
C12	C17	C16	C15	2.7°	0.2°
C17	C12	C13	C14	4.0°	0.5°
C17	C12	C13	H13	176.0°	179.7°
C12	C17	C16	H16	177.3°	179.7°
C13	C12	C17	C16	4.6°	0.5°
C12	C13	C14	C15	1.2°	0.3°
C12	C13	C14	H13	180.0°	179.8°
C12	C13	C14	H14	178.8°	179.7°
C13	C12	C17	H17	175.4°	179.4°
C17	C16	C15	H16	180.0°	179.9°
C17	C16	C15	C14	0.3°	0.0°
C17	C16	C15	H15	179.7°	180.0°
C16	C15	C14	H15	180.0°	180.0°
C16	C15	C14	C13	1.0°	0.0°
C16	C15	C14	H14	179.0°	180.0°
C15	C16	C17	H17	177.3°	179.7°
C15	C14	C13	H14	180.0°	180.0°
C15	C14	C13	H13	178.8°	180.0°
C14	C15	C16	H16	179.7°	180.0°
C13	C14	C15	H15	179.0°	180.0°
H7	C7	C8	H8	0.2°	0.0°
H1	C1	C	H2	0.8°	0.1°
H10	C10	C11	H11	0.2°	0.3°
H13	C13	C14	H14	1.2°	0.0°
H14	C14	C15	H15	1.0°	0.0°
H15	C15	C16	H16	0.3°	0.1°
H16	C16	C17	H17	2.7°	0.4°

Release date:	2026-09-23
Definition date:	2026-05-21
Last modified:	2026-09-18
Release status:	REL
Processing site:	RCSB
Derived from:	35WJ