A1BC8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S5	C6	sing	1.76Å	0.00Å	Aromatic
S5	C4	sing	1.76Å	0.00Å	Aromatic
C6	C7	doub	1.35Å	0.00Å	Aromatic
C4	C3	doub	1.33Å	0.00Å	Aromatic
C7	C3	sing	1.40Å	0.00Å	Aromatic
C7	C8	sing	1.49Å	0.00Å
C3	O2	sing	1.36Å	0.00Å
O2	C1	sing	1.43Å	0.00Å
C8	C9	doub	1.36Å	0.00Å	Aromatic
C8	N12	sing	1.34Å	0.00Å	Aromatic
C9	N10	sing	1.35Å	0.00Å	Aromatic
N12	N11	doub	1.29Å	0.00Å	Aromatic
C14	C15	sing	1.53Å	0.00Å
C14	C13	sing	1.53Å	0.00Å
N10	N11	sing	1.29Å	0.00Å	Aromatic
N10	C13	sing	1.46Å	0.00Å
O20	C19	doub	1.21Å	0.00Å
N18	C19	sing	1.34Å	0.00Å
N18	C16	sing	1.34Å	0.00Å
O17	C16	doub	1.21Å	0.00Å
C19	C13	sing	1.51Å	0.00Å
C16	C15	sing	1.51Å	0.00Å
C14	H1	sing	1.09Å	0.00Å
C14	H2	sing	1.09Å	0.00Å
C13	H3	sing	1.09Å	0.00Å
C1	H4	sing	1.09Å	0.00Å
C1	H5	sing	1.09Å	0.00Å
C1	H6	sing	1.09Å	0.00Å
C4	H7	sing	1.08Å	0.00Å
C6	H8	sing	1.08Å	0.00Å
C9	H9	sing	1.08Å	0.00Å
C15	H10	sing	1.09Å	0.00Å
C15	H11	sing	1.09Å	0.00Å
N18	H12	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	S5	C4	90.0°	91.2°
S5	C6	C7	90.0°	109.6°
S5	C6	H8	90.0°	125.2°
S5	C4	C3	90.0°	110.0°
S5	C4	H7	90.0°	125.0°
C6	C7	C3	90.0°	114.5°
C6	C7	C8	90.0°	122.8°
C7	C6	H8	90.0°	125.2°
C4	C3	C7	90.0°	114.8°
C4	C3	O2	90.0°	122.6°
C3	C4	H7	90.0°	125.0°
C3	C7	C8	90.0°	122.8°
C7	C3	O2	90.0°	122.6°
C7	C8	C9	90.0°	126.9°
C7	C8	N12	90.0°	126.9°
C3	O2	C1	90.0°	117.0°
O2	C1	H4	90.0°	109.5°
O2	C1	H5	90.0°	109.5°
O2	C1	H6	90.0°	109.5°
C9	C8	N12	90.0°	106.2°
C8	C9	N10	90.0°	106.0°
C8	C9	H9	90.0°	127.0°
C8	N12	N11	90.0°	108.9°
C9	N10	N11	90.0°	108.4°
C9	N10	C13	90.0°	125.8°
N10	C9	H9	90.0°	127.0°
N12	N11	N10	90.0°	110.5°
C15	C14	C13	90.0°	108.6°
C14	C15	C16	90.0°	109.2°
C15	C14	H1	90.0°	109.6°
C15	C14	H2	90.0°	109.6°
C14	C15	H10	90.0°	109.5°
C14	C15	H11	90.0°	109.5°
C14	C13	N10	90.0°	109.5°
C14	C13	C19	90.0°	109.2°
C13	C14	H1	90.0°	109.6°
C13	C14	H2	90.0°	109.6°
C14	C13	H3	90.0°	109.6°
N11	N10	C13	90.0°	125.8°
N10	C13	C19	90.0°	109.5°
N10	C13	H3	90.0°	109.5°
O20	C19	N18	90.0°	119.4°
O20	C19	C13	90.0°	119.4°
C19	N18	C16	90.0°	122.6°
N18	C19	C13	90.0°	121.3°
C19	N18	H12	90.0°	118.7°
N18	C16	O17	90.0°	119.3°
N18	C16	C15	90.0°	121.3°
C16	N18	H12	90.0°	118.7°
O17	C16	C15	90.0°	119.4°
C19	C13	H3	90.0°	109.5°
C16	C15	H10	90.0°	109.5°
C16	C15	H11	90.0°	109.5°
H1	C14	H2	90.0°	109.8°
H4	C1	H5	90.0°	109.5°
H4	C1	H6	90.0°	109.5°
H5	C1	H6	90.0°	109.4°
H10	C15	H11	90.0°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S5	C6	C7	H8	90.0°	179.9°
C6	S5	C4	C3	90.0°	0.2°
S5	C6	C7	C3	90.0°	0.1°
S5	C6	C7	C8	90.0°	180.0°
C6	S5	C4	H7	90.0°	179.9°
C4	S5	C6	C7	90.0°	0.1°
S5	C4	C3	H7	90.0°	179.9°
S5	C4	C3	C7	90.0°	0.2°
S5	C4	C3	O2	90.0°	180.0°
C4	S5	C6	H8	90.0°	179.9°
C6	C7	C3	C4	90.0°	0.2°
C6	C7	C3	C8	90.0°	180.0°
C6	C7	C3	O2	90.0°	180.0°
C6	C7	C8	C9	90.0°	0.1°
C6	C7	C8	N12	90.0°	179.7°
C4	C3	C7	O2	90.0°	179.8°
C4	C3	C7	C8	90.0°	179.9°
C4	C3	O2	C1	90.0°	0.0°
C7	C3	O2	C1	90.0°	179.8°
C3	C7	C8	C9	90.0°	179.9°
C3	C7	C8	N12	90.0°	0.3°
C7	C3	C4	H7	90.0°	179.9°
C3	C7	C6	H8	90.0°	180.0°
C8	C7	C3	O2	90.0°	0.0°
C7	C8	C9	N12	90.0°	179.8°
C7	C8	C9	N10	90.0°	180.0°
C7	C8	N12	N11	90.0°	179.8°
C8	C7	C6	H8	90.0°	0.1°
C7	C8	C9	H9	90.0°	0.0°
C3	O2	C1	H4	90.0°	179.9°
C3	O2	C1	H5	90.0°	59.9°
C3	O2	C1	H6	90.0°	60.0°
O2	C3	C4	H7	90.0°	0.0°
O2	C1	H4	H5	90.0°	120.0°
O2	C1	H4	H6	90.0°	120.0°
O2	C1	H5	H6	90.0°	120.0°
C8	C9	N10	H9	90.0°	180.0°
C9	C8	N12	N11	90.0°	0.3°
C8	C9	N10	N11	90.0°	0.0°
C8	C9	N10	C13	90.0°	179.7°
N12	C8	C9	N10	90.0°	0.2°
C8	N12	N11	N10	90.0°	0.4°
N12	C8	C9	H9	90.0°	179.8°
C9	N10	N11	N12	90.0°	0.2°
C9	N10	C13	C14	90.0°	84.7°
C9	N10	N11	C13	90.0°	179.7°
C9	N10	C13	C19	90.0°	35.1°
C9	N10	C13	H3	90.0°	155.2°
N12	N11	N10	C13	90.0°	179.9°
C15	C14	C13	H1	90.0°	119.7°
C15	C14	C13	H2	90.0°	119.7°
C15	C14	C13	N10	90.0°	64.3°
C14	C15	C16	N18	90.0°	29.1°
C14	C15	C16	O17	90.0°	150.9°
C15	C14	C13	C19	90.0°	55.6°
C14	C15	C16	H10	90.0°	119.9°
C14	C15	C16	H11	90.0°	119.9°
C15	C14	H1	H2	90.0°	120.5°
C15	C14	C13	H3	90.0°	175.5°
C14	C15	H10	H11	90.0°	120.1°
C14	C13	N10	N11	90.0°	94.9°
C14	C13	N10	C19	90.0°	119.7°
C14	C13	N10	H3	90.0°	120.2°
C14	C13	C19	O20	90.0°	150.9°
C14	C13	C19	N18	90.0°	29.0°
C14	C13	C19	H3	90.0°	119.9°
C13	C14	C15	C16	90.0°	55.6°
C13	C14	H1	H2	90.0°	120.5°
C13	C14	C15	H10	90.0°	175.5°
C13	C14	C15	H11	90.0°	64.3°
N11	N10	C13	C19	90.0°	145.3°
N11	N10	C13	H3	90.0°	25.2°
N11	N10	C9	H9	90.0°	180.0°
N10	C13	C19	O20	90.0°	89.2°
N10	C13	C19	N18	90.0°	90.9°
N10	C13	C19	H3	90.0°	120.1°
N10	C13	C14	H1	90.0°	175.9°
N10	C13	C14	H2	90.0°	55.4°
C13	N10	C9	H9	90.0°	0.3°
O20	C19	N18	C13	90.0°	179.9°
O20	C19	N18	C16	90.0°	179.4°
O20	C19	C13	H3	90.0°	30.9°
O20	C19	N18	H12	90.0°	0.7°
C19	N18	C16	H12	90.0°	179.9°
C19	N18	C16	O17	90.0°	179.5°
C19	N18	C16	C15	90.0°	0.5°
N18	C19	C13	H3	90.0°	149.0°
N18	C16	O17	C15	90.0°	180.0°
C16	N18	C19	C13	90.0°	0.4°
N18	C16	C15	H10	90.0°	148.9°
N18	C16	C15	H11	90.0°	90.8°
O17	C16	C15	H10	90.0°	31.0°
O17	C16	C15	H11	90.0°	89.2°
O17	C16	N18	H12	90.0°	0.6°
C19	C13	C14	H1	90.0°	64.1°
C19	C13	C14	H2	90.0°	175.3°
C13	C19	N18	H12	90.0°	179.4°
C16	C15	C14	H1	90.0°	64.1°
C16	C15	C14	H2	90.0°	175.4°
C16	C15	H10	H11	90.0°	120.2°
C15	C16	N18	H12	90.0°	179.4°
H1	C14	C13	H3	90.0°	55.8°
H1	C14	C15	H10	90.0°	55.8°
H1	C14	C15	H11	90.0°	176.0°
H2	C14	C13	H3	90.0°	64.7°
H2	C14	C15	H10	90.0°	64.8°
H2	C14	C15	H11	90.0°	55.4°
H4	C1	H5	H6	90.0°	120.0°

Release date:	2025-07-09
Definition date:	2024-10-14
Last modified:	2025-07-04
Release status:	REL
Processing site:	RCSB