A1EFK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C08	C07	sing	0.00Å	1.44Å	Aromatic
C08	C09	doub	0.00Å	1.39Å	Aromatic
C07	C06	doub	0.00Å	1.36Å	Aromatic
C09	C10	sing	0.00Å	1.43Å	Aromatic
C06	C05	sing	0.00Å	1.46Å	Aromatic
C10	C05	doub	0.00Å	1.37Å	Aromatic
C10	N02	sing	0.00Å	1.34Å	Aromatic
C05	S04	sing	0.00Å	1.78Å	Aromatic
C01	N02	sing	0.00Å	1.48Å
N02	C03	doub	0.00Å	1.36Å	Aromatic
S04	C03	sing	0.00Å	1.71Å	Aromatic
C03	C11	sing	0.00Å	1.55Å
C11	C12	doub	0.00Å	1.38Å
C12	C13	sing	0.00Å	1.49Å
C13	C14	doub	0.00Å	1.34Å
C14	C15	sing	0.00Å	1.48Å
C14	C22	sing	0.00Å	1.55Å
C15	C16	doub	0.00Å	1.54Å
C16	N17	sing	0.00Å	1.46Å
C23	C22	doub	0.00Å	1.36Å	Aromatic
C23	C24	sing	0.00Å	1.47Å	Aromatic
C22	C21	sing	0.00Å	1.44Å	Aromatic
O20	C19	sing	0.00Å	1.43Å
N17	C21	sing	0.00Å	1.55Å
N17	C18	sing	0.00Å	1.50Å
C21	C26	doub	0.00Å	1.42Å	Aromatic
C24	C25	doub	0.00Å	1.40Å	Aromatic
C18	C19	sing	0.00Å	1.49Å
C25	C26	sing	0.00Å	1.40Å	Aromatic
C01	H1	sing	0.00Å	1.10Å
C01	H2	sing	0.00Å	1.10Å
C01	H3	sing	0.00Å	1.10Å
C06	H4	sing	0.00Å	1.08Å
C07	H5	sing	0.00Å	1.08Å
C08	H6	sing	0.00Å	1.08Å
C09	H7	sing	0.00Å	1.08Å
C11	H8	sing	0.00Å	1.08Å
C12	H10	sing	0.00Å	1.08Å
C13	H11	sing	0.00Å	1.08Å
C15	H12	sing	0.00Å	1.08Å
C16	H13	sing	0.00Å	1.08Å
C18	H14	sing	0.00Å	1.10Å
C18	H15	sing	0.00Å	1.10Å
C19	H16	sing	0.00Å	1.10Å
C19	H17	sing	0.00Å	1.10Å
O20	H18	sing	0.00Å	0.95Å
C23	H19	sing	0.00Å	1.08Å
C24	H20	sing	0.00Å	1.08Å
C25	H21	sing	0.00Å	1.08Å
C26	H22	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C08	C09	120.0°	90.0°
C08	C07	C06	120.0°	90.0°
C08	C07	H5	120.0°	90.0°
C07	C08	H6	120.0°	90.0°
C08	C09	C10	120.0°	90.0°
C09	C08	H6	120.0°	90.0°
C08	C09	H7	120.0°	90.0°
C07	C06	C05	120.0°	90.0°
C07	C06	H4	120.0°	90.0°
C06	C07	H5	120.0°	90.0°
C09	C10	C05	120.0°	90.0°
C09	C10	N02	123.5°	90.0°
C10	C09	H7	120.0°	90.0°
C06	C05	C10	120.0°	90.0°
C06	C05	S04	135.4°	90.0°
C05	C06	H4	120.0°	90.0°
C05	C10	N02	116.5°	90.0°
C10	C05	S04	104.6°	90.0°
C10	N02	C01	121.4°	90.0°
C10	N02	C03	117.1°	90.0°
C05	S04	C03	95.2°	90.0°
C01	N02	C03	121.5°	90.0°
N02	C01	H1	109.5°	90.0°
N02	C01	H2	109.5°	90.0°
N02	C01	H3	109.5°	90.0°
N02	C03	S04	106.6°	90.0°
N02	C03	C11	126.4°	90.0°
S04	C03	C11	127.0°	90.0°
C03	C11	C12	120.0°	90.0°
C03	C11	H8	120.0°	90.0°
C11	C12	C13	119.8°	90.0°
C12	C11	H8	120.0°	90.0°
C11	C12	H10	120.1°	90.0°
C12	C13	C14	120.2°	90.0°
C13	C12	H10	120.1°	90.0°
C12	C13	H11	119.9°	90.0°
C13	C14	C15	120.1°	90.0°
C13	C14	C22	120.2°	90.0°
C14	C13	H11	119.9°	90.0°
C15	C14	C22	119.7°	90.0°
C14	C15	C16	119.6°	90.0°
C14	C15	H12	120.2°	90.0°
C14	C22	C23	119.8°	90.0°
C14	C22	C21	120.3°	90.0°
C15	C16	N17	120.1°	90.0°
C16	C15	H12	120.2°	90.0°
C15	C16	H13	120.0°	90.0°
C16	N17	C21	120.1°	90.0°
C16	N17	C18	120.0°	90.0°
N17	C16	H13	120.0°	90.0°
C22	C23	C24	120.0°	90.0°
C23	C22	C21	119.8°	90.0°
C22	C23	H19	120.0°	90.0°
C23	C24	C25	119.9°	90.0°
C24	C23	H19	120.0°	90.0°
C23	C24	H20	120.0°	90.0°
C22	C21	N17	120.0°	90.0°
C22	C21	C26	120.1°	90.0°
O20	C19	C18	108.4°	90.0°
O20	C19	H16	109.7°	90.0°
O20	C19	H17	109.7°	90.0°
C19	O20	H18	109.5°	90.0°
C21	N17	C18	119.8°	90.0°
N17	C21	C26	119.6°	90.0°
N17	C18	C19	110.3°	90.0°
N17	C18	H14	109.2°	90.0°
N17	C18	H15	109.2°	90.0°
C21	C26	C25	120.1°	90.0°
C21	C26	H22	119.9°	90.0°
C24	C25	C26	120.0°	90.0°
C25	C24	H20	120.0°	90.0°
C24	C25	H21	120.0°	90.0°
C19	C18	H14	109.3°	90.0°
C19	C18	H15	109.3°	90.0°
C18	C19	H16	109.8°	90.0°
C18	C19	H17	109.8°	90.0°
C26	C25	H21	120.1°	90.0°
C25	C26	H22	119.9°	90.0°
H1	C01	H2	109.4°	90.0°
H1	C01	H3	109.4°	90.0°
H2	C01	H3	109.5°	90.0°
H14	C18	H15	109.5°	90.0°
H16	C19	H17	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C08	C09	H6	180.0°	90.0°
C08	C07	C06	H5	180.0°	90.0°
C07	C08	C09	C10	0.0°	90.0°
C08	C07	C06	C05	0.1°	90.0°
C08	C07	C06	H4	179.9°	90.0°
C07	C08	C09	H7	180.0°	90.0°
C09	C08	C07	C06	0.1°	90.0°
C08	C09	C10	H7	180.0°	90.0°
C08	C09	C10	C05	0.0°	90.0°
C08	C09	C10	N02	179.9°	90.0°
C09	C08	C07	H5	179.9°	90.0°
C07	C06	C05	H4	180.0°	90.0°
C07	C06	C05	C10	0.0°	90.0°
C07	C06	C05	S04	179.9°	90.0°
C06	C07	C08	H6	179.9°	90.0°
C09	C10	C05	C06	0.0°	90.0°
C09	C10	C05	N02	179.9°	90.0°
C09	C10	C05	S04	179.9°	90.0°
C09	C10	N02	C01	0.9°	90.0°
C09	C10	N02	C03	179.9°	90.0°
C10	C09	C08	H6	180.0°	90.0°
C06	C05	C10	S04	179.9°	90.0°
C06	C05	C10	N02	179.9°	90.0°
C06	C05	S04	C03	179.9°	90.0°
C05	C06	C07	H5	179.9°	90.0°
C05	C10	N02	C01	179.2°	90.0°
C05	C10	N02	C03	0.1°	90.0°
C10	C05	S04	C03	0.0°	90.0°
C10	C05	C06	H4	180.0°	90.0°
C05	C10	C09	H7	180.0°	90.0°
N02	C10	C05	S04	0.0°	90.0°
C10	N02	C01	C03	179.2°	90.0°
C10	N02	C03	S04	0.0°	90.0°
C10	N02	C03	C11	179.6°	90.0°
C10	N02	C01	H1	180.0°	90.0°
C10	N02	C01	H2	60.0°	90.0°
C10	N02	C01	H3	60.0°	90.0°
N02	C10	C09	H7	0.0°	90.0°
C05	S04	C03	N02	0.0°	90.0°
C05	S04	C03	C11	179.6°	90.0°
S04	C05	C06	H4	0.1°	90.0°
C01	N02	C03	S04	179.2°	90.0°
C01	N02	C03	C11	0.4°	90.0°
N02	C01	H1	H2	120.0°	90.0°
N02	C01	H1	H3	120.0°	90.0°
N02	C01	H2	H3	120.0°	90.0°
N02	C03	S04	C11	179.5°	90.0°
N02	C03	C11	C12	179.4°	90.0°
C03	N02	C01	H1	0.8°	90.0°
C03	N02	C01	H2	119.2°	90.0°
C03	N02	C01	H3	120.8°	90.0°
N02	C03	C11	H8	0.7°	90.0°
S04	C03	C11	C12	0.1°	90.0°
S04	C03	C11	H8	179.9°	90.0°
C03	C11	C12	H8	180.0°	90.0°
C03	C11	C12	C13	178.7°	90.0°
C03	C11	C12	H10	1.3°	90.0°
C11	C12	C13	H10	180.0°	90.0°
C11	C12	C13	C14	179.6°	90.0°
C11	C12	C13	H11	0.5°	90.0°
C12	C13	C14	H11	180.0°	90.0°
C12	C13	C14	C15	3.1°	90.0°
C12	C13	C14	C22	179.7°	90.0°
C13	C12	C11	H8	1.3°	90.0°
C13	C14	C15	C22	177.2°	90.0°
C13	C14	C15	C16	179.5°	90.0°
C13	C14	C22	C23	2.6°	90.0°
C13	C14	C22	C21	177.1°	90.0°
C14	C13	C12	H10	0.4°	90.0°
C13	C14	C15	H12	0.5°	90.0°
C14	C15	C16	H12	180.0°	90.0°
C14	C15	C16	N17	2.8°	90.0°
C15	C14	C22	C23	179.9°	90.0°
C15	C14	C22	C21	0.2°	90.0°
C15	C14	C13	H11	176.9°	90.0°
C14	C15	C16	H13	177.1°	90.0°
C22	C14	C15	C16	3.3°	90.0°
C14	C22	C23	C21	179.7°	90.0°
C14	C22	C23	C24	179.8°	90.0°
C14	C22	C21	N17	4.0°	90.0°
C14	C22	C21	C26	178.3°	90.0°
C22	C14	C13	H11	0.3°	90.0°
C22	C14	C15	H12	176.7°	90.0°
C14	C22	C23	H19	0.2°	90.0°
C15	C16	N17	H13	180.0°	90.0°
C15	C16	N17	C21	1.0°	90.0°
C15	C16	N17	C18	176.2°	90.0°
C16	N17	C21	C22	4.5°	90.0°
C16	N17	C21	C18	177.2°	90.0°
C16	N17	C21	C26	178.8°	90.0°
C16	N17	C18	C19	139.2°	90.0°
N17	C16	C15	H12	177.2°	90.0°
C16	N17	C18	H14	19.1°	90.0°
C16	N17	C18	H15	100.7°	90.0°
C22	C23	C24	H19	180.0°	90.0°
C23	C22	C21	N17	176.3°	90.0°
C23	C22	C21	C26	2.0°	90.0°
C22	C23	C24	C25	1.8°	90.0°
C22	C23	C24	H20	178.2°	90.0°
C24	C23	C22	C21	0.1°	90.0°
C23	C24	C25	H20	180.0°	90.0°
C23	C24	C25	C26	1.8°	90.0°
C23	C24	C25	H21	178.2°	90.0°
C22	C21	N17	C26	174.3°	90.0°
C22	C21	N17	C18	172.7°	90.0°
C22	C21	C26	C25	2.0°	90.0°
C21	C22	C23	H19	179.9°	90.0°
C22	C21	C26	H22	178.0°	90.0°
O20	C19	C18	N17	83.2°	90.0°
O20	C19	C18	H16	119.8°	90.0°
O20	C19	C18	H17	119.8°	90.0°
O20	C19	C18	H14	36.9°	90.0°
O20	C19	C18	H15	156.7°	90.0°
O20	C19	H16	H17	120.5°	90.0°
C21	N17	C18	C19	38.0°	90.0°
N17	C21	C26	C25	176.3°	90.0°
C21	N17	C16	H13	179.0°	90.0°
C21	N17	C18	H14	158.1°	90.0°
C21	N17	C18	H15	82.1°	90.0°
N17	C21	C26	H22	3.7°	90.0°
C18	N17	C21	C26	1.6°	90.0°
N17	C18	C19	H14	120.1°	90.0°
N17	C18	C19	H15	120.1°	90.0°
C18	N17	C16	H13	3.8°	90.0°
N17	C18	H14	H15	119.6°	90.0°
N17	C18	C19	H16	36.7°	90.0°
N17	C18	C19	H17	157.0°	90.0°
C21	C26	C25	C24	0.0°	90.0°
C21	C26	C25	H22	180.0°	90.0°
C21	C26	C25	H21	179.9°	90.0°
C24	C25	C26	H21	180.0°	90.0°
C25	C24	C23	H19	178.2°	90.0°
C24	C25	C26	H22	179.9°	90.0°
C19	C18	H14	H15	119.7°	90.0°
C18	C19	H16	H17	120.5°	90.0°
C18	C19	O20	H18	180.0°	90.0°
C26	C25	C24	H20	178.2°	90.0°
H1	C01	H2	H3	119.9°	90.0°
H4	C06	C07	H5	0.1°	90.0°
H5	C07	C08	H6	0.1°	90.0°
H6	C08	C09	H7	0.0°	90.0°
H8	C11	C12	H10	178.7°	90.0°
H10	C12	C13	H11	179.5°	90.0°
H12	C15	C16	H13	2.8°	90.0°
H14	C18	C19	H16	156.8°	90.0°
H14	C18	C19	H17	82.9°	90.0°
H15	C18	C19	H16	83.4°	90.0°
H15	C18	C19	H17	36.9°	90.0°
H16	C19	O20	H18	60.1°	90.0°
H17	C19	O20	H18	60.2°	90.0°
H19	C23	C24	H20	1.8°	90.0°
H20	C24	C25	H21	1.8°	90.0°
H21	C25	C26	H22	0.1°	90.0°

Release date:	2025-11-05
Definition date:	2024-11-10
Last modified:	2025-10-31
Release status:	REL
Processing site:	PDBC
Derived from:	9KC2