A1JM7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C03	C02	doub	1.38Å	1.40Å	Aromatic
C04	C03	sing	1.38Å	1.39Å	Aromatic
C05	C04	doub	1.38Å	1.39Å	Aromatic
C06	C05	sing	1.38Å	1.39Å	Aromatic
C07	C06	doub	1.38Å	1.39Å	Aromatic
C02	C01	sing	1.51Å	1.51Å
N08	C01	sing	1.46Å	1.53Å
C09	N08	doub	1.31Å	1.36Å	Aromatic
C10	C09	sing	1.39Å	1.39Å	Aromatic
C11	C10	doub	1.40Å	1.41Å	Aromatic
C13	C12	doub	1.34Å	1.38Å	Aromatic
S14	C13	sing	1.76Å	1.77Å	Aromatic
C15	C13	sing	1.48Å	1.49Å
C12	C11	sing	1.40Å	1.45Å	Aromatic
C25	C11	sing	1.42Å	1.42Å	Aromatic
C26	C25	doub	1.36Å	1.39Å	Aromatic
C02	C07	sing	1.38Å	1.39Å	Aromatic
N08	C26	sing	1.32Å	1.39Å	Aromatic
C10	S14	sing	1.76Å	1.73Å	Aromatic
C01	H012	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C03	H031	sing	1.08Å	1.08Å
C04	H041	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C25	H251	sing	1.08Å	1.08Å
C26	H261	sing	1.08Å	1.08Å
C15	C1	sing	1.41Å	18.45Å	Aromatic
C1	C2	doub	1.36Å	0.00Å	Aromatic
C2	C3	sing	1.41Å	0.00Å	Aromatic
C3	C4	doub	1.42Å	0.00Å	Aromatic
C4	C5	sing	1.40Å	0.00Å	Aromatic
C5	C15	doub	1.38Å	18.45Å	Aromatic
C4	C6	sing	1.41Å	0.00Å	Aromatic
C6	C7	doub	1.36Å	0.00Å	Aromatic
C7	C8	sing	1.39Å	0.00Å	Aromatic
C8	C9	doub	1.36Å	0.00Å	Aromatic
C9	C3	sing	1.41Å	0.00Å	Aromatic
C1	H1	sing	1.08Å	0.00Å
C2	H2	sing	1.08Å	0.00Å
C5	H3	sing	1.08Å	0.00Å
C6	H4	sing	1.08Å	0.00Å
C7	H5	sing	1.08Å	0.00Å
C8	H6	sing	1.08Å	0.00Å
C9	H7	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C03	C04	121.4°	120.0°
C03	C02	C01	122.2°	120.0°
C03	C02	C07	117.3°	120.0°
C02	C03	H031	119.3°	120.0°
C03	C04	C05	120.3°	120.0°
C04	C03	H031	119.3°	120.0°
C03	C04	H041	119.8°	120.0°
C04	C05	C06	118.8°	120.0°
C05	C04	H041	119.8°	120.0°
C04	C05	H051	120.6°	120.0°
C05	C06	C07	120.7°	120.0°
C06	C05	H051	120.6°	120.0°
C05	C06	H061	119.6°	120.0°
C06	C07	C02	121.3°	120.0°
C07	C06	H061	119.6°	120.0°
C06	C07	H071	119.3°	120.0°
C02	C01	N08	111.4°	109.5°
C01	C02	C07	120.4°	120.0°
C02	C01	H012	109.0°	109.4°
C02	C01	H011	109.0°	109.5°
C01	N08	C09	121.1°	119.0°
C01	N08	C26	120.7°	119.0°
N08	C01	H012	109.0°	109.4°
N08	C01	H011	109.0°	109.5°
N08	C09	C10	122.0°	120.7°
C09	N08	C26	118.1°	122.0°
N08	C09	H091	119.0°	119.7°
C09	C10	C11	121.7°	119.1°
C09	C10	S14	128.5°	131.4°
C10	C09	H091	119.0°	119.6°
C10	C11	C12	111.7°	112.7°
C10	C11	C25	115.6°	117.4°
C11	C10	S14	109.8°	109.5°
C12	C13	S14	107.5°	110.7°
C12	C13	C15	134.1°	124.6°
C13	C12	C11	116.0°	115.5°
C13	C12	H121	122.0°	122.2°
S14	C13	C15	118.4°	124.6°
C13	S14	C10	95.0°	91.6°
C13	C15	C1	68.4°	119.8°
C13	C15	C5	68.4°	119.8°
C12	C11	C25	132.7°	129.9°
C11	C12	H121	122.0°	122.3°
C11	C25	C26	121.3°	119.3°
C11	C25	H251	119.4°	120.4°
C25	C26	N08	121.4°	121.5°
C26	C25	H251	119.4°	120.4°
C25	C26	H261	119.3°	119.2°
C02	C07	H071	119.4°	120.0°
N08	C26	H261	119.3°	119.3°
H012	C01	H011	109.5°	109.5°
C15	C1	C2	90.0°	120.9°
C1	C15	C5	0.0°	120.5°
C15	C1	H1	90.0°	119.6°
C1	C2	C3	90.0°	120.0°
C2	C1	H1	90.0°	119.5°
C1	C2	H2	90.0°	120.0°
C2	C3	C4	90.0°	119.7°
C2	C3	C9	90.0°	121.0°
C3	C2	H2	90.0°	120.0°
C3	C4	C5	90.0°	119.5°
C3	C4	C6	90.0°	119.4°
C4	C3	C9	90.0°	119.3°
C4	C5	C15	90.0°	119.5°
C5	C4	C6	90.0°	121.1°
C4	C5	H3	90.0°	120.3°
C15	C5	H3	90.0°	120.3°
C4	C6	C7	90.0°	119.7°
C4	C6	H4	90.0°	120.2°
C6	C7	C8	90.0°	120.9°
C7	C6	H4	90.0°	120.2°
C6	C7	H5	90.0°	119.5°
C7	C8	C9	90.0°	121.0°
C8	C7	H5	90.0°	119.6°
C7	C8	H6	90.0°	119.5°
C8	C9	C3	90.0°	119.7°
C9	C8	H6	90.0°	119.5°
C8	C9	H7	90.0°	120.1°
C3	C9	H7	90.0°	120.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C03	C04	H031	180.0°	179.9°
C02	C03	C04	C05	0.9°	0.0°
C03	C02	C07	C06	1.8°	0.6°
C03	C02	C01	C07	176.8°	179.7°
C03	C02	C01	N08	54.9°	89.7°
C03	C02	C01	H012	175.2°	30.3°
C03	C02	C01	H011	65.4°	150.3°
C02	C03	C04	H041	179.1°	179.9°
C03	C02	C07	H071	178.2°	179.7°
C03	C04	C05	H041	180.0°	179.9°
C03	C04	C05	C06	0.0°	0.0°
C04	C03	C02	C01	178.6°	180.0°
C04	C03	C02	C07	1.8°	0.3°
C03	C04	C05	H051	180.0°	180.0°
C04	C05	C06	H051	180.0°	180.0°
C04	C05	C06	C07	0.1°	0.3°
C05	C04	C03	H031	179.1°	179.9°
C04	C05	C06	H061	179.9°	180.0°
C05	C06	C07	H061	180.0°	179.7°
C05	C06	C07	C02	1.0°	0.6°
C06	C05	C04	H041	180.0°	179.9°
C05	C06	C07	H071	179.0°	179.7°
C06	C07	C02	C01	178.7°	179.7°
C06	C07	C02	H071	180.0°	179.7°
C07	C06	C05	H051	179.9°	179.7°
C02	C01	N08	H012	120.3°	119.9°
C02	C01	N08	H011	120.3°	120.0°
C02	C01	N08	C09	76.1°	89.9°
C02	C01	N08	C26	99.7°	89.4°
C02	C01	H012	H011	119.1°	120.0°
C01	C02	C03	H031	1.4°	0.1°
C01	C02	C07	H071	1.3°	0.0°
C01	N08	C09	C26	175.9°	179.3°
C01	N08	C09	C10	177.9°	180.0°
C01	N08	C26	C25	178.1°	180.0°
N08	C01	C02	C07	121.8°	90.0°
N08	C01	H012	H011	119.1°	120.0°
C01	N08	C09	H091	2.0°	0.0°
C01	N08	C26	H261	1.9°	0.2°
N08	C09	C10	H091	180.0°	180.0°
N08	C09	C10	C11	0.9°	0.3°
C09	N08	C26	C25	2.1°	0.7°
N08	C09	C10	S14	178.9°	180.0°
C09	N08	C01	H012	163.6°	30.0°
C09	N08	C01	H011	44.2°	150.0°
C09	N08	C26	H261	177.9°	179.6°
C09	C10	C11	S14	179.8°	179.8°
C09	C10	S14	C13	179.8°	180.0°
C09	C10	C11	C12	179.9°	180.0°
C09	C10	C11	C25	0.1°	0.0°
C10	C09	N08	C26	2.0°	0.7°
C10	C11	C12	C13	0.1°	0.0°
C11	C10	S14	C13	0.0°	0.3°
C10	C11	C12	C25	180.0°	179.9°
C10	C11	C25	C26	0.0°	0.0°
C11	C10	C09	H091	179.1°	179.7°
C10	C11	C12	H121	179.9°	180.0°
C10	C11	C25	H251	180.0°	180.0°
C12	C13	S14	C15	180.0°	179.8°
C13	C12	C11	H121	180.0°	180.0°
C13	C12	C11	C25	179.9°	179.9°
C12	C13	S14	C10	0.0°	0.3°
C12	C13	C15	C1	69.5°	0.0°
C12	C13	C15	C5	69.5°	179.8°
S14	C13	C12	C11	0.1°	0.2°
S14	C13	C12	H121	179.9°	179.8°
S14	C13	C15	C1	110.4°	179.8°
S14	C13	C15	C5	110.4°	0.0°
C15	C13	C12	C11	180.0°	180.0°
C15	C13	S14	C10	180.0°	179.9°
C15	C13	C12	H121	0.1°	0.0°
C13	C15	C1	C5	90.0°	179.7°
C13	C15	C1	C2	90.0°	180.0°
C13	C15	C5	C4	90.0°	179.8°
C13	C15	C1	H1	90.0°	0.0°
C13	C15	C5	H3	90.0°	0.2°
C12	C11	C25	C26	180.0°	180.0°
C12	C11	C10	S14	0.1°	0.2°
C12	C11	C25	H251	0.0°	0.0°
C11	C25	C26	H251	180.0°	180.0°
C11	C25	C26	N08	1.1°	0.3°
C25	C11	C10	S14	180.0°	179.7°
C25	C11	C12	H121	0.1°	0.1°
C11	C25	C26	H261	178.9°	180.0°
C25	C26	N08	H261	180.0°	179.7°
C07	C02	C01	H012	1.5°	150.0°
C07	C02	C01	H011	117.9°	30.0°
C07	C02	C03	H031	178.2°	179.8°
C02	C07	C06	H061	179.0°	179.7°
C26	N08	C01	H012	20.5°	150.6°
C26	N08	C01	H011	140.0°	30.6°
C26	N08	C09	H091	178.0°	179.4°
N08	C26	C25	H251	178.9°	179.7°
S14	C10	C09	H091	1.1°	0.0°
H031	C03	C04	H041	0.9°	0.0°
H041	C04	C05	H051	0.1°	0.1°
H051	C05	C06	H061	0.1°	0.0°
H061	C06	C07	H071	1.0°	0.0°
H251	C25	C26	H261	1.1°	0.0°
C15	C1	C2	H1	90.0°	180.0°
C15	C1	C2	C3	90.0°	0.0°
C1	C15	C5	C4	90.0°	0.4°
C15	C1	C2	H2	90.0°	180.0°
C1	C15	C5	H3	90.0°	180.0°
C1	C2	C3	H2	90.0°	180.0°
C1	C2	C3	C4	90.0°	0.1°
C2	C1	C15	C5	90.0°	0.2°
C1	C2	C3	C9	90.0°	180.0°
C2	C3	C4	C9	90.0°	180.0°
C2	C3	C4	C5	90.0°	0.1°
C2	C3	C4	C6	90.0°	180.0°
C2	C3	C9	C8	90.0°	180.0°
C3	C2	C1	H1	90.0°	180.0°
C2	C3	C9	H7	90.0°	0.0°
C3	C4	C5	C6	90.0°	179.9°
C3	C4	C5	C15	90.0°	0.4°
C3	C4	C6	C7	90.0°	0.0°
C4	C3	C9	C8	90.0°	0.0°
C4	C3	C2	H2	90.0°	180.0°
C3	C4	C5	H3	90.0°	180.0°
C3	C4	C6	H4	90.0°	180.0°
C4	C3	C9	H7	90.0°	180.0°
C4	C5	C15	H3	90.0°	179.6°
C5	C4	C6	C7	90.0°	179.8°
C5	C4	C3	C9	90.0°	179.8°
C5	C4	C6	H4	90.0°	0.1°
C15	C5	C4	C6	90.0°	179.8°
C5	C15	C1	H1	90.0°	179.8°
C4	C6	C7	H4	90.0°	180.0°
C4	C6	C7	C8	90.0°	0.0°
C6	C4	C3	C9	90.0°	0.0°
C6	C4	C5	H3	90.0°	0.2°
C4	C6	C7	H5	90.0°	180.0°
C6	C7	C8	H5	90.0°	179.9°
C6	C7	C8	C9	90.0°	0.1°
C6	C7	C8	H6	90.0°	179.9°
C7	C8	C9	H6	90.0°	180.0°
C7	C8	C9	C3	90.0°	0.0°
C8	C7	C6	H4	90.0°	180.0°
C7	C8	C9	H7	90.0°	180.0°
C8	C9	C3	H7	90.0°	180.0°
C9	C8	C7	H5	90.0°	180.0°
C9	C3	C2	H2	90.0°	0.0°
C3	C9	C8	H6	90.0°	180.0°
H1	C1	C2	H2	90.0°	0.0°
H4	C6	C7	H5	90.0°	0.0°
H5	C7	C8	H6	90.0°	0.0°
H6	C8	C9	H7	90.0°	0.1°

Release date:	2026-06-03
Definition date:	2025-08-18
Last modified:	2026-05-29
Release status:	REL
Processing site:	PDBE
Derived from:	9SCK